Mock Version: 2.15
Mock Version: 2.15
Mock Version: 2.15
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target armv7hl --nodeps /builddir/build/SPECS/apbs.spec'], chrootPath='/var/lib/mock/f36-build-32490244-4399636/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0xb48efe38>timeout=201600uid=1000gid=425user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False)
Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target armv7hl --nodeps /builddir/build/SPECS/apbs.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'} and shell False
Building target platforms: armv7hl
Building for target armv7hl
setting SOURCE_DATE_EPOCH=1642550400
Wrote: /builddir/build/SRPMS/apbs-3.0.0-14.fc36.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target armv7hl --nodeps /builddir/build/SPECS/apbs.spec'], chrootPath='/var/lib/mock/f36-build-32490244-4399636/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0xb48efe38>timeout=201600uid=1000gid=425user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False)
Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target armv7hl --nodeps /builddir/build/SPECS/apbs.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'} and shell False
Building target platforms: armv7hl
Building for target armv7hl
setting SOURCE_DATE_EPOCH=1642550400
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.kMuuCX
+ umask 022
+ cd /builddir/build/BUILD
+ cd /builddir/build/BUILD
+ rm -rf apbs-3.0.0
+ /usr/bin/gzip -dc /builddir/build/SOURCES/apbs-3.0.0.tar.gz
+ /usr/bin/tar -xof -
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd apbs-3.0.0
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
+ echo 'Patch #0 (apbs-cmake.patch):'
Patch #0 (apbs-cmake.patch):
+ /usr/bin/patch --no-backup-if-mismatch -f -p2 -b --suffix .apbs-cmake --fuzz=0
patching file CMakeLists.txt
patching file src/CMakeLists.txt
patching file tools/manip/CMakeLists.txt
patching file tools/mesh/CMakeLists.txt
Patch #1 (apbs-exclude_tests.patch):
+ echo 'Patch #1 (apbs-exclude_tests.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .exclude_tests --fuzz=0
patching file tests/test_cases.cfg
+ cp -p contrib/iapbs/COPYING contrib/iapbs/iapbs-COPYING
+ cp -p /builddir/build/SOURCES/apbs-LGPL_V2 contrib/iapbs/iapbs-LGPLv2
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.nbGZ70
+ umask 022
+ cd /builddir/build/BUILD
+ '[' -f /builddir/build/BUILD/.package_note-apbs-3.0.0-14.fc36.arm.ld ']'
+ '[' -f /usr/lib/rpm/generate-rpm-note.sh ']'
+ /usr/lib/rpm/generate-rpm-note.sh apbs 3.0.0-14.fc36 arm
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -I/usr/lib/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -I/usr/lib/gfortran/modules'
+ export FCFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld   -Wl,--build-id=sha1 -Wl,-dT,/builddir/build/BUILD/.package_note-apbs-3.0.0-14.fc36.arm.ld'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd apbs-3.0.0
+ export 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -fopenmp -lm'
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -fopenmp -lm'
+ export 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -fopenmp -lm'
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -fopenmp -lm'
+ mkdir -p build
+ cmake -S . -B build -DCMAKE_BUILD_TYPE:STRING=Release -DENABLE_iAPBS:BOOL=ON -DENABLE_OPENMP:BOOL=ON -DENABLE_VERBOSE_DEBUG:BOOL=OFF -DENABLE_FETK:BOOL=OFF '-DCMAKE_C_FLAGS:STRING=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -fopenmp -lm -DNDEBUG' '-DCMAKE_CXX_FLAGS:STRING=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -fopenmp -lm -DNDEBUG' -DBUILD_SHARED_LIBS:BOOL=OFF -DENABLE_PYTHON:BOOL=ON -DBUILD_DOC:BOOL=ON -DBUILD_TESTING:BOOL=ON -DENABLE_TESTS:BOOL=ON -DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib -DSHARE_INSTALL_PREFIX:PATH=/usr/share
CMake Deprecation Warning at CMakeLists.txt:11 (cmake_policy):
  The OLD behavior for policy CMP0054 will be removed from a future version
  of CMake.
  The cmake-policies(7) manual explains that the OLD behaviors of all
  policies are deprecated and that a policy should be set to OLD only under
  specific short-term circumstances.  Projects should be ported to the NEW
  behavior and not rely on setting a policy to OLD.
-- The C compiler identification is GNU 12.0.1
-- The CXX compiler identification is GNU 12.0.1
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/gcc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/g++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Setting project paths
-- Setting lookup paths for headers and libraries
-- Computing machine epsilon values
-- Floating point epsilon is 2.220446e-16
-- Double precision epsilon is 2.220446e-16
-- Looking for time
-- Looking for time - found
-- Looking for rand
-- Looking for rand - found
-- Looking for srand
-- Looking for srand - found
-- Inline functions enabled
-- Checking for OpenMP
-- Found OpenMP_C: -fopenmp (found version "4.5") 
-- Found OpenMP_CXX: -fopenmp (found version "4.5") 
-- Found OpenMP: TRUE (found version "4.5")  
-- OpenMP support enabled
CMake Deprecation Warning at src/CMakeLists.txt:1 (cmake_minimum_required):
  Compatibility with CMake < 2.8.12 will be removed from a future version of
  CMake.
  Update the VERSION argument <min> value or use a ...<max> suffix to tell
  CMake that the project does not need compatibility with older versions.
-- Adding apbs_generic
-- With source files nosh.c;mgparm.c;femparm.c;pbamparm.c;pbsamparm.c;pbeparm.c;bemparm.c;geoflowparm.c;apolparm.c;vacc.c;valist.c;vatom.c;vpbe.c;vcap.c;vclist.c;vstring.c;vparam.c;vgreen.c
-- With external header files nosh.h;mgparm.h;femparm.h;pbamparm.h;pbsamparm.h;pbeparm.h;bemparm.h;geoflowparm.h;apolparm.h;vacc.h;valist.h;vatom.h;vpbe.h;vcap.h;vclist.h;vstring.h;vparam.h;vgreen.h;vmatrix.h;vhal.h;vunit.h
-- With internal header files 
-- With library dependencies m;stdc++;maloc;-fopenmp
-- Added apbs_generic
-- Adding apbs_pmgc
-- With source files buildAd.c;buildBd.c;buildGd.c;buildPd.c;cgd.c;gsd.c;matvecd.c;mgcsd.c;mgdrvd.c;mgsubd.c;mikpckd.c;mlinpckd.c;mypdec.c;newtond.c;newdrvd.c;powerd.c;smoothd.c;mgfasd.c
-- With external header files buildAd.h;buildBd.h;buildGd.h;buildPd.h;cgd.h;gsd.h;matvecd.h;mgcsd.h;mgdrvd.h;mgsubd.h;mikpckd.h;mlinpckd.h;mypdec.h;newtond.h;newdrvd.h;powerd.h;smoothd.h;mgfasd.h
-- With internal header files 
-- With library dependencies m;stdc++;maloc;-fopenmp
-- Added apbs_pmgc
-- Adding apbs_mg
-- With source files vgrid.c;vmgrid.c;vopot.c;vpmg.c;vpmgp.c
-- With external header files vgrid.h;vmgrid.h;vopot.h;vpmg.h;vpmgp.h
-- With internal header files 
-- With library dependencies m;stdc++;maloc;-fopenmp;apbs_generic;apbs_pmgc
-- Added apbs_mg
-- Adding apbs_routines
-- With source files routines.c
-- With external header files 
-- With internal header files 
-- With library dependencies m;stdc++;maloc;-fopenmp
-- Added apbs_routines
-- External Headers: 
--  
-- APBS Libraries: m;stdc++;maloc;-fopenmp
-- Internal Libraries: apbs_generic;apbs_pmgc;apbs_mg;apbs_routines
--  
-- -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -fopenmp -lm -DNDEBUG -fPIC
-- Building documentation enabled
-- Found Doxygen: /usr/bin/doxygen (found version "1.9.1") found components: doxygen dot 
-- Supplemental tools enabled
-- Building mesh
-- libraries: apbs
-- Building manip
-- libraries: apbs
CMake Deprecation Warning at tools/python/CMakeLists.txt:2 (CMAKE_POLICY):
  The OLD behavior for policy CMP0078 will be removed from a future version
  of CMake.
  The cmake-policies(7) manual explains that the OLD behaviors of all
  policies are deprecated and that a policy should be set to OLD only under
  specific short-term circumstances.  Projects should be ported to the NEW
  behavior and not rely on setting a policy to OLD.
CMake Deprecation Warning at tools/python/CMakeLists.txt:3 (CMAKE_POLICY):
  The OLD behavior for policy CMP0086 will be removed from a future version
  of CMake.
  The cmake-policies(7) manual explains that the OLD behaviors of all
  policies are deprecated and that a policy should be set to OLD only under
  specific short-term circumstances.  Projects should be ported to the NEW
  behavior and not rely on setting a policy to OLD.
-- Found SWIG: /usr/bin/swig (found version "4.0.2")  
-- Found Python3: /usr/bin/python3.10 (found version "3.10.2") found components: Interpreter Development Development.Module Development.Embed 
-- ******* Python3 FOUND
-- ***** Python3 include path is: /usr/include/python3.10
-- ***** Python3 library path is: /usr/lib/libpython3.10.so
-- ***** Python3 library dir  is: /usr/lib
-- Building of iAPBS interface enabled
-- Found Python3: /usr/bin/python3.10 (found version "3.10.2") found components: Interpreter 
-- ******* Python3 FOUND /usr/bin/python3.10
-- TEST born_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t born
-- TEST actin-dimer-auto_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t actin-dimer-auto
-- TEST actin-dimer-parallel_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t actin-dimer-parallel
-- TEST alkanes_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t alkanes
-- TEST FKBP_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t FKBP
-- TEST hca-bind_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t hca-bind
-- TEST ionize_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t ionize
-- TEST ion-pmf_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t ion-pmf
-- TEST ion-protein_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t ion-protein
-- TEST pka-lig_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t pka-lig
-- TEST point-pmf_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t point-pmf
-- TEST solv_test COMMAND /usr/bin/python3.10 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t solv
-- Configuring done
-- Generating done
-- Build files have been written to: /builddir/build/BUILD/apbs-3.0.0/build
+ make -O -j1 V=1 -C build
make: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[1]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[  1%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vgrid.c.o
In file included from /usr/include/maloc/maloc.h:38,
                 from /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.h:67,
                 from /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:57:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c: In function 'Vgrid_readDX':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:751:31: warning: format '%lu' expects argument of type 'long unsigned int *', but argument 3 has type 'size_t *' {aka 'unsigned int *'} [-Wformat=]
  751 |     VJMPERR1(1 == sscanf(tok, "%lu", &itmp));
      |                               ^~~~~  ~~~~~
      |                                      |
      |                                      size_t * {aka unsigned int *}
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:751:34: note: format string is defined here
  751 |     VJMPERR1(1 == sscanf(tok, "%lu", &itmp));
      |                                ~~^
      |                                  |
      |                                  long unsigned int *
      |                                %u
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c: In function 'Vgrid_readDXBIN':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:816:13: warning: variable 'isBinary' set but not used [-Wunused-but-set-variable]
  816 |         int isBinary = 0;
      |             ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:813:25: warning: unused variable 'itmp' [-Wunused-variable]
  813 |         size_t i, j, k, itmp, u;
      |                         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c: In function 'Vgrid_writeUHBD':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:1697:36: warning: variable 'hy' set but not used [-Wunused-but-set-variable]
 1697 |     double xmin, ymin, zmin, hzed, hy, hx;
      |                                    ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:1697:30: warning: variable 'hzed' set but not used [-Wunused-but-set-variable]
 1697 |     double xmin, ymin, zmin, hzed, hy, hx;
      |                              ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c: In function 'Vgrid_readDXBIN':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:853:17: warning: ignoring return value of 'fgets' declared with attribute 'warn_unused_result' [-Wunused-result]
  853 |                 fgets(tok, VMAX_BUFSIZE, fd);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
[  2%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vmgrid.c.o
/builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c: In function 'Vmgrid_addGrid':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c:198:12: warning: unused variable 'tgrad' [-Wunused-variable]
  198 |     double tgrad[3];
      |            ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c:197:15: warning: unused variable 'rc' [-Wunused-variable]
  197 |     int i, j, rc;
      |               ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c:197:12: warning: unused variable 'j' [-Wunused-variable]
  197 |     int i, j, rc;
      |            ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c:197:9: warning: unused variable 'i' [-Wunused-variable]
  197 |     int i, j, rc;
      |         ^
[  3%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vopot.c.o
/builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c: In function 'Vopot_curvature':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:219:26: warning: variable 'eps_w' set but not used [-Wunused-but-set-variable]
  219 |     double u, T, charge, eps_w, xkappa, dist, size, val, *position, zkappa2;
      |                          ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:219:18: warning: variable 'charge' set but not used [-Wunused-but-set-variable]
  219 |     double u, T, charge, eps_w, xkappa, dist, size, val, *position, zkappa2;
      |                  ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:219:15: warning: variable 'T' set but not used [-Wunused-but-set-variable]
  219 |     double u, T, charge, eps_w, xkappa, dist, size, val, *position, zkappa2;
      |               ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:269:23: warning: 'val' may be used uninitialized [-Wmaybe-uninitialized]
  269 |                     u = u + val;
      |                     ~~^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:219:53: note: 'val' was declared here
  219 |     double u, T, charge, eps_w, xkappa, dist, size, val, *position, zkappa2;
      |                                                     ^~~
[  4%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vpmg.c.o
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'Vpmg_ctor2':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:157:61: warning: variable 'zkappa2' set but not used [-Wunused-but-set-variable]
  157 |     double ionConc[MAXION], ionQ[MAXION], ionRadii[MAXION], zkappa2, zks2;
      |                                                             ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'Vpmg_qmEnergySMPBE':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1503:12: warning: variable 'zks2' set but not used [-Wunused-but-set-variable]
 1503 |            zks2;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'Vpmg_qfEnergyPoint':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1712:13: warning: variable 'pvec' set but not used [-Wunused-but-set-variable]
 1712 |     double *pvec;
      |             ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1709:24: warning: variable 'zmax' set but not used [-Wunused-but-set-variable]
 1709 |     double xmax, ymax, zmax, xmin, ymin, zmin, hx, hy, hzed, ifloat, jfloat;
      |                        ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1709:18: warning: variable 'ymax' set but not used [-Wunused-but-set-variable]
 1709 |     double xmax, ymax, zmax, xmin, ymin, zmin, hx, hy, hzed, ifloat, jfloat;
      |                  ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1709:12: warning: variable 'xmax' set but not used [-Wunused-but-set-variable]
 1709 |     double xmax, ymax, zmax, xmin, ymin, zmin, hx, hy, hzed, ifloat, jfloat;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'Vpmg_qfAtomEnergy':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1794:36: warning: variable 'zmax' set but not used [-Wunused-but-set-variable]
 1794 |     double xmax, xmin, ymax, ymin, zmax, zmin, hx, hy, hzed, ifloat, jfloat;
      |                                    ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1794:24: warning: variable 'ymax' set but not used [-Wunused-but-set-variable]
 1794 |     double xmax, xmin, ymax, ymin, zmax, zmin, hx, hy, hzed, ifloat, jfloat;
      |                        ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1794:12: warning: variable 'xmax' set but not used [-Wunused-but-set-variable]
 1794 |     double xmax, xmin, ymax, ymin, zmax, zmin, hx, hy, hzed, ifloat, jfloat;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'focusFillBound':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1953:12: warning: variable 'charge' set but not used [-Wunused-but-set-variable]
 1953 |            charge,
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1952:13: warning: variable 'apos' set but not used [-Wunused-but-set-variable]
 1952 |            *apos,
      |             ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1951:12: warning: variable 'size' set but not used [-Wunused-but-set-variable]
 1951 |            size,
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1950:12: warning: variable 'xkappa' set but not used [-Wunused-but-set-variable]
 1950 |            xkappa,
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcfl2':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2668:40: warning: variable 'qzy' set but not used [-Wunused-but-set-variable]
 2668 |     double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz;
      |                                        ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2668:36: warning: variable 'qzx' set but not used [-Wunused-but-set-variable]
 2668 |     double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz;
      |                                    ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2668:24: warning: variable 'qyx' set but not used [-Wunused-but-set-variable]
 2668 |     double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz;
      |                        ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcCalcOrig':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2832:34: warning: unused variable 'debye' [-Wunused-variable]
 2832 |     double *dipole, *quadrupole, debye, eps_p;
      |                                  ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2832:22: warning: variable 'quadrupole' set but not used [-Wunused-but-set-variable]
 2832 |     double *dipole, *quadrupole, debye, eps_p;
      |                      ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2832:13: warning: variable 'dipole' set but not used [-Wunused-but-set-variable]
 2832 |     double *dipole, *quadrupole, debye, eps_p;
      |             ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcflnew':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3415:31: warning: variable 'eps_p' set but not used [-Wunused-but-set-variable]
 3415 |     double dist, pre1, eps_w, eps_p, T, xkappa;
      |                               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:29: warning: unused variable 'z1' [-Wunused-variable]
 3410 |     int x0, x1, y0, y1, z0, z1;
      |                             ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:25: warning: unused variable 'z0' [-Wunused-variable]
 3410 |     int x0, x1, y0, y1, z0, z1;
      |                         ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:21: warning: unused variable 'y1' [-Wunused-variable]
 3410 |     int x0, x1, y0, y1, z0, z1;
      |                     ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:17: warning: unused variable 'y0' [-Wunused-variable]
 3410 |     int x0, x1, y0, y1, z0, z1;
      |                 ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:13: warning: unused variable 'x1' [-Wunused-variable]
 3410 |     int x0, x1, y0, y1, z0, z1;
      |             ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:9: warning: unused variable 'x0' [-Wunused-variable]
 3410 |     int x0, x1, y0, y1, z0, z1;
      |         ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3409:13: warning: unused variable 'k' [-Wunused-variable]
 3409 |     int i,j,k, iatom, igrid;
      |             ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3409:11: warning: unused variable 'j' [-Wunused-variable]
 3409 |     int i,j,k, iatom, igrid;
      |           ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3409:9: warning: unused variable 'i' [-Wunused-variable]
 3409 |     int i,j,k, iatom, igrid;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'multipolebc':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3492:19: warning: variable 'kr3' set but not used [-Wunused-but-set-variable]
 3492 |     double kr,kr2,kr3;
      |                   ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcfl_sdh':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3608:40: warning: variable 'qzy' set but not used [-Wunused-but-set-variable]
 3608 |     double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz;
      |                                        ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3608:36: warning: variable 'qzx' set but not used [-Wunused-but-set-variable]
 3608 |     double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz;
      |                                    ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3608:24: warning: variable 'qyx' set but not used [-Wunused-but-set-variable]
 3608 |     double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz;
      |                        ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3604:22: warning: unused variable 'quadrupole' [-Wunused-variable]
 3604 |     double *dipole, *quadrupole;
      |                      ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3604:13: warning: unused variable 'dipole' [-Wunused-variable]
 3604 |     double *dipole, *quadrupole;
      |             ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcfl_mdh':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3875:41: warning: variable 'eps_p' set but not used [-Wunused-but-set-variable]
 3875 |     double size, charge, xkappa, eps_w, eps_p, T, pre1, dist;
      |                                         ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3874:22: warning: unused variable 'quadrupole' [-Wunused-variable]
 3874 |     double *dipole, *quadrupole;
      |                      ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3874:13: warning: unused variable 'dipole' [-Wunused-variable]
 3874 |     double *dipole, *quadrupole;
      |             ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcfl_mem':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4008:24: warning: unused variable 'edge_L' [-Wunused-variable]
 4008 |     double A, B, C, D, edge_L, l;
      |                        ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4007:38: warning: unused variable 'z_shift' [-Wunused-variable]
 4007 |     double dist, val, z_low, z_high, z_shift;
      |                                      ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4007:12: warning: unused variable 'dist' [-Wunused-variable]
 4007 |     double dist, val, z_low, z_high, z_shift;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcfl_map':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4177:38: warning: variable 'hzed' set but not used [-Wunused-but-set-variable]
 4177 |     double position[3], pot, hx, hy, hzed;
      |                                      ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4177:34: warning: variable 'hy' set but not used [-Wunused-but-set-variable]
 4177 |     double position[3], pot, hx, hy, hzed;
      |                                  ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4177:30: warning: variable 'hx' set but not used [-Wunused-but-set-variable]
 4177 |     double position[3], pot, hx, hy, hzed;
      |                              ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4176:11: warning: unused variable 'pbe' [-Wunused-variable]
 4176 |     Vpbe *pbe;
      |           ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoCoefMap':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4492:46: warning: unused variable 'pot' [-Wunused-variable]
 4492 |     double ionstr, position[3], tkappa, eps, pot, hx, hy, hzed;
      |                                              ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoCoefMolIon':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4638:16: warning: variable 'surfMeth' set but not used [-Wunused-but-set-variable]
 4638 |     Vsurf_Meth surfMeth;
      |                ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4630:11: warning: variable 'acc' set but not used [-Wunused-but-set-variable]
 4630 |     Vacc *acc;
      |           ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoCoefMolDielNoSmooth':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4746:30: warning: unused variable 'deps' [-Wunused-variable]
 4746 |     double srad, epsw, epsp, deps, area;
      |                              ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoCoefSpline':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5031:47: warning: variable 'rtot2' set but not used [-Wunused-but-set-variable]
 5031 |     double dx2, dy2, dz2, stot2, itot2, rtot, rtot2, splineWin, w3i;
      |                                               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoCharge':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5289:15: warning: unused variable 'rc' [-Wunused-variable]
 5289 |     Vrc_Codes rc;
      |               ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoChargeMap':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5346:49: warning: variable 'hzed' set but not used [-Wunused-but-set-variable]
 5346 |     double position[3], charge, zmagic, hx, hy, hzed;
      |                                                 ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5346:45: warning: variable 'hy' set but not used [-Wunused-but-set-variable]
 5346 |     double position[3], charge, zmagic, hx, hy, hzed;
      |                                             ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5346:41: warning: variable 'hx' set but not used [-Wunused-but-set-variable]
 5346 |     double position[3], charge, zmagic, hx, hy, hzed;
      |                                         ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'Vpmg_force':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5829:12: warning: unused variable 'npF' [-Wunused-variable]
 5829 |     double npF[3];                  /* Non-polar boundary force */
      |            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'Vpmg_ibForce':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5854:24: warning: variable 'zlen' set but not used [-Wunused-but-set-variable]
 5854 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2;
      |                        ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5854:18: warning: variable 'ylen' set but not used [-Wunused-but-set-variable]
 5854 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2;
      |                  ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5854:12: warning: variable 'xlen' set but not used [-Wunused-but-set-variable]
 5854 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5848:13: warning: variable 'alist' set but not used [-Wunused-but-set-variable]
 5848 |     Valist *alist;
      |             ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'Vpmg_dbForce':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6019:55: warning: variable 'kT' set but not used [-Wunused-but-set-variable]
 6019 |     double rtot, dx, gpos[3], tgrad[3], dbFmag, epsw, kT;
      |                                                       ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6019:18: warning: variable 'dx' set but not used [-Wunused-but-set-variable]
 6019 |     double rtot, dx, gpos[3], tgrad[3], dbFmag, epsw, kT;
      |                  ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6018:66: warning: variable 'rtot2' set but not used [-Wunused-but-set-variable]
 6018 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2, epsp;
      |                                                                  ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6018:24: warning: variable 'zlen' set but not used [-Wunused-but-set-variable]
 6018 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2, epsp;
      |                        ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6018:18: warning: variable 'ylen' set but not used [-Wunused-but-set-variable]
 6018 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2, epsp;
      |                  ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6018:12: warning: variable 'xlen' set but not used [-Wunused-but-set-variable]
 6018 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2, epsp;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'qfForceSpline2':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6453:24: warning: variable 'zlen' set but not used [-Wunused-but-set-variable]
 6453 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax;
      |                        ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6453:18: warning: variable 'ylen' set but not used [-Wunused-but-set-variable]
 6453 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax;
      |                  ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6453:12: warning: variable 'xlen' set but not used [-Wunused-but-set-variable]
 6453 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'qfForceSpline4':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6576:15: warning: unused variable 'k' [-Wunused-variable]
 6576 |     int i, j, k, ii, jj, kk;
      |               ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6576:12: warning: unused variable 'j' [-Wunused-variable]
 6576 |     int i, j, k, ii, jj, kk;
      |            ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6568:24: warning: variable 'zlen' set but not used [-Wunused-but-set-variable]
 6568 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax;
      |                        ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6568:18: warning: variable 'ylen' set but not used [-Wunused-but-set-variable]
 6568 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax;
      |                  ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6568:12: warning: variable 'xlen' set but not used [-Wunused-but-set-variable]
 6568 |     double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'markFrac':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6692:39: warning: variable 'a000' set but not used [-Wunused-but-set-variable]
 6692 |     double dx, dx2, dy, dy2, dz, dz2, a000, a001, a010, a100, r2;
      |                                       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'zlapSolve':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6912:12: warning: unused variable 'norm' [-Wunused-variable]
 6912 |     double norm, coef, proj, eigx, eigy, eigz;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'Vpmg_solveLaplace':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7044:35: warning: variable 'n' set but not used [-Wunused-but-set-variable]
 7044 |     int i, j, k, ijk, nx, ny, nz, n, dilo, dihi, djlo, djhi, dklo, dkhi;
      |                                   ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7044:18: warning: unused variable 'ijk' [-Wunused-variable]
 7044 |     int i, j, k, ijk, nx, ny, nz, n, dilo, dihi, djlo, djhi, dklo, dkhi;
      |                  ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoPermanentMultipole':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:58: warning: unused variable 'mqzz' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                                                          ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:53: warning: unused variable 'mqzy' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                                                     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:48: warning: unused variable 'mqzx' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                                                ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:43: warning: unused variable 'mqyy' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                                           ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:38: warning: unused variable 'mqyx' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                                      ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:33: warning: unused variable 'mqxx' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                                 ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:29: warning: unused variable 'muz' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                             ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:25: warning: unused variable 'muy' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:21: warning: unused variable 'mux' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                     ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:18: warning: unused variable 'mc' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |                  ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:12: warning: unused variable 'debye' [-Wunused-variable]
 7263 |     double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz;
      |            ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7262:24: warning: unused variable 'mr2' [-Wunused-variable]
 7262 |     double mir,mjr,mkr,mr2;
      |                        ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7262:20: warning: unused variable 'mkr' [-Wunused-variable]
 7262 |     double mir,mjr,mkr,mr2;
      |                    ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7262:16: warning: unused variable 'mjr' [-Wunused-variable]
 7262 |     double mir,mjr,mkr,mr2;
      |                ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7262:12: warning: unused variable 'mir' [-Wunused-variable]
 7262 |     double mir,mjr,mkr,mr2;
      |            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7258:9: warning: unused variable 'i' [-Wunused-variable]
 7258 |     int i, ii, jj, kk, nx, ny, nz, iatom;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7253:47: warning: unused variable 'qave' [-Wunused-variable]
 7253 |     double c,ux,uy,uz,qxx,qyx,qyy,qzx,qzy,qzz,qave;
      |                                               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7252:29: warning: unused variable 'quad' [-Wunused-variable]
 7252 |     double charge, *dipole,*quad;
      |                             ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7252:21: warning: unused variable 'dipole' [-Wunused-variable]
 7252 |     double charge, *dipole,*quad;
      |                     ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoCoefSpline4':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:9948:47: warning: variable 'rtot2' set but not used [-Wunused-but-set-variable]
 9948 |     double dx2, dy2, dz2, stot2, itot2, rtot, rtot2, splineWin;
      |                                               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:9946:42: warning: unused variable 'w2i' [-Wunused-variable]
 9946 |     double irad, dx, dy, dz, epsw, epsp, w2i;
      |                                          ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoPermanentInduced':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10278:9: warning: unused variable 'i' [-Wunused-variable]
10278 |     int i, ii, jj, kk, nx, ny, nz, iatom;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10273:47: warning: unused variable 'qave' [-Wunused-variable]
10273 |     double c,ux,uy,uz,qxx,qyx,qyy,qzx,qzy,qzz,qave;
      |                                               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10272:29: warning: unused variable 'quad' [-Wunused-variable]
10272 |     double charge, *dipole,*quad;
      |                             ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10272:21: warning: unused variable 'dipole' [-Wunused-variable]
10272 |     double charge, *dipole,*quad;
      |                     ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'fillcoCoefSpline3':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10441:27: warning: variable 'e5' set but not used [-Wunused-but-set-variable]
10441 |     double e, e2, e3, e4, e5;
      |                           ^~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10439:47: warning: variable 'rtot2' set but not used [-Wunused-but-set-variable]
10439 |     double dx2, dy2, dz2, stot2, itot2, rtot, rtot2, splineWin;
      |                                               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10437:42: warning: unused variable 'w2i' [-Wunused-variable]
10437 |     double irad, dx, dy, dz, epsw, epsp, w2i;
      |                                          ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcolcomp':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:55: warning: variable 'mxlv' set but not used [-Wunused-but-set-variable]
10746 |     int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv;
      |                                                       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:47: warning: unused variable 'maxlev' [-Wunused-variable]
10746 |     int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv;
      |                                               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:39: warning: unused variable 'ierror' [-Wunused-variable]
10746 |     int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv;
      |                                       ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:15: warning: variable 'niwk' set but not used [-Wunused-but-set-variable]
10746 |     int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv;
      |               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:9: warning: variable 'nrwk' set but not used [-Wunused-but-set-variable]
10746 |     int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10743:29: warning: unused variable 'i' [-Wunused-variable]
10743 |     int nrow, ncol, nnzero, i;
      |                             ^
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10743:21: warning: unused variable 'nnzero' [-Wunused-variable]
10743 |     int nrow, ncol, nnzero, i;
      |                     ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10743:15: warning: unused variable 'ncol' [-Wunused-variable]
10743 |     int nrow, ncol, nnzero, i;
      |               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10743:9: warning: unused variable 'nrow' [-Wunused-variable]
10743 |     int nrow, ncol, nnzero, i;
      |         ^~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:93,
                 from /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:73:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcolcomp2':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10804:5: note: in expansion of macro 'MAT2'
10804 |     MAT2(iz, 50, nlev);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcolcomp3':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10836:5: note: in expansion of macro 'MAT2'
10836 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function 'bcolcomp4':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10874:5: note: in expansion of macro 'MAT3'
10874 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10873:5: note: in expansion of macro 'MAT3'
10873 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10872:5: note: in expansion of macro 'MAT3'
10872 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10871:5: note: in expansion of macro 'MAT3'
10871 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10870:5: note: in expansion of macro 'MAT3'
10870 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10866:27: warning: variable 'nrow' set but not used [-Wunused-but-set-variable]
10866 |     int inonz, iirow, nn, nrow, ncol, nonz, irow, n;
      |                           ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7229:16: warning: 'd3bspline4' defined but not used [-Wunused-function]
 7229 | VPUBLIC double d3bspline4(double x) {
      |                ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6684:15: warning: 'markFrac' defined but not used [-Wunused-function]
 6684 | VPRIVATE void markFrac(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3868:15: warning: 'bcfl_mdh' defined but not used [-Wunused-function]
 3868 | VPRIVATE void bcfl_mdh(Vpmg *thee){
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2828:15: warning: 'bcCalcOrig' defined but not used [-Wunused-function]
 2828 | VPRIVATE void bcCalcOrig(Vpmg *thee) {
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2547:17: warning: 'bcfl1sp' defined but not used [-Wunused-function]
 2547 | VPRIVATE double bcfl1sp(double size, double *apos, double charge,
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1148:17: warning: 'Vpmg_polarizEnergy' defined but not used [-Wunused-function]
 1148 | VPRIVATE double Vpmg_polarizEnergy(Vpmg *thee,
      |                 ^~~~~~~~~~~~~~~~~~
[  5%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vpmgp.c.o
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c: In function 'Vpmgp_size':
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c:204:87: warning: unused variable 'iretot' [-Wunused-variable]
  204 |     int nxf, nyf, nzf, level, num_nf_oper, num_narrc_oper, n_band, nc_band, num_band, iretot;
      |                                                                                       ^~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[  5%] Built target apbs_mg
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[  6%] Building C object src/generic/CMakeFiles/apbs_generic.dir/nosh.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c: In function 'NOsh_setupCalcGEOFLOWMANUAL':
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2683:15: warning: variable 'apolparm' set but not used [-Wunused-but-set-variable]
 2683 |     APOLparm *apolparm = VNULL;
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:57:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c: In function 'NOsh_parsePBAM':
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3139:17: warning: 'strncpy' specified bound 1000 equals destination size [-Wstringop-truncation]
 3139 |                 strncpy(parm->dxname, pbeparm->writestem[pbeparm->numwrite -1], CHR_MAXLEN);
      |                 ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c: In function 'NOsh_parsePBSAM':
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3268:17: warning: 'strncpy' specified bound 1000 equals destination size [-Wstringop-truncation]
 3268 |                 strncpy(parm->dxname, pbeparm->writestem[pbeparm->numwrite - 1], CHR_MAXLEN);
      |                 ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c: In function 'NOsh_parseInput':
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1348:13: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
 1348 |             strncpy(thee->apolname[thee->napol], tok, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1222:13: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
 1222 |             strncpy(thee->elecname[thee->nelec], tok, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:953:9: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  953 |         strncpy(thee->meshpath[thee->nmesh], tok, VMAX_ARGLEN);
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:918:5: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  918 |     strncpy(thee->chargepath[thee->ncharge], tok, VMAX_ARGLEN);
      |     ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:872:5: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  872 |     strncpy(thee->potpath[thee->npot], tok, VMAX_ARGLEN);
      |     ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:827:5: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  827 |     strncpy(thee->kappapath[thee->nkappa], tok, VMAX_ARGLEN);
      |     ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:772:5: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  772 |     strncpy(thee->dielXpath[thee->ndiel], tok, VMAX_ARGLEN);
      |     ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:776:5: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  776 |     strncpy(thee->dielYpath[thee->ndiel], tok, VMAX_ARGLEN);
      |     ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:780:5: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  780 |     strncpy(thee->dielZpath[thee->ndiel], tok, VMAX_ARGLEN);
      |     ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:723:13: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  723 |             strncpy(thee->parmpath, tok, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:701:13: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  701 |             strncpy(thee->parmpath, tok, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:659:9: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  659 |         strncpy(thee->molpath[thee->nmol], tok, VMAX_ARGLEN);
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:640:9: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  640 |         strncpy(thee->molpath[thee->nmol], tok, VMAX_ARGLEN);
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:621:9: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
  621 |         strncpy(thee->molpath[thee->nmol], tok, VMAX_ARGLEN);
      |         ^
[  8%] Building C object src/generic/CMakeFiles/apbs_generic.dir/mgparm.c.o
[  9%] Building C object src/generic/CMakeFiles/apbs_generic.dir/femparm.c.o
[ 10%] Building C object src/generic/CMakeFiles/apbs_generic.dir/pbamparm.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parseRandorient':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:305:17: warning: unused variable 'name' [-Wunused-variable]
  305 |     const char* name = "randorient";
      |                 ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parse3Dmap':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:373:10: warning: unused variable 'tok' [-Wunused-variable]
  373 |     char tok[VMAX_BUFSIZE];
      |          ^~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:372:17: warning: unused variable 'name' [-Wunused-variable]
  372 |     const char* name = "3dmap";
      |                 ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parseRunType':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:282:7: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  282 |       strncpy(thee->runtype, tok, CHR_MAXLEN);
      |       ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parseRunName':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:297:7: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  297 |       strncpy(thee->runname, tok, CHR_MAXLEN);
      |       ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parseUnits':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:344:7: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  344 |       strncpy(thee->units, tok, CHR_MAXLEN);
      |       ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parseTermcombine':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:452:7: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  452 |       strncpy(thee->termcombine, tok, CHR_MAXLEN);
      |       ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parseGrid2D':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:400:7: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  400 |       strncpy(thee->grid2Dname[thee->grid2Dct], tok, CHR_MAXLEN);
      |       ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:408:7: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  408 |       strncpy(thee->grid2Dax[thee->grid2Dct], tok, CHR_MAXLEN);
      |       ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parseXYZ':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:656:8: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  656 |        strncpy(thee->xyzfil[mol][thee->xyzct[mol]], tok, CHR_MAXLEN);
      |        ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parseDiff':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:500:8: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  500 |        strncpy(thee->moveType[molind], tok, CHR_MAXLEN);
      |        ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function 'PBAMparm_parseTerm':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:563:12: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  563 |            strncpy(thee->termnam[thee->termct], tok, CHR_MAXLEN);
      |            ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:573:11: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  573 |           strncpy(thee->confil[thee->confilct], tok, CHR_MAXLEN);
      |           ^
[ 11%] Building C object src/generic/CMakeFiles/apbs_generic.dir/pbsamparm.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function 'PBSAMparm_ctor2':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:79:9: warning: unused variable 'i' [-Wunused-variable]
   79 |     int i;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function 'PBSAMparm_parseMSMS':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:183:13: warning: unused variable 'td' [-Wunused-variable]
  183 |         int td;
      |             ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function 'PBSAMparm_parseSurf':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:174:8: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  174 |        strncpy(thee->surffil[thee->surfct], tok, CHR_MAXLEN);
      |        ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function 'PBSAMparm_parseImat':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:211:8: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  211 |        strncpy(thee->imatfil[thee->imatct], tok, CHR_MAXLEN);
      |        ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function 'PBSAMparm_parseExp':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:226:8: warning: 'strncpy' output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation]
  226 |        strncpy(thee->expfil[thee->expct], tok, CHR_MAXLEN);
      |        ^
[ 12%] Building C object src/generic/CMakeFiles/apbs_generic.dir/pbeparm.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c: In function 'PBEparm_parseWRITE':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1163:9: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
 1163 |         strncpy(thee->writestem[thee->numwrite], tok, VMAX_ARGLEN);
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c: In function 'PBEparm_parseWRITEMAT':
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1204:5: warning: 'strncpy' output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation]
 1204 |     strncpy(thee->writematstem, tok, VMAX_ARGLEN);
      |     ^
[ 13%] Building C object src/generic/CMakeFiles/apbs_generic.dir/bemparm.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c: In function 'BEMparm_ctor2':
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:79:9: warning: unused variable 'i' [-Wunused-variable]
   79 |     int i;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c: In function 'BEMparm_check':
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:36: warning: unused variable 'nlev' [-Wunused-variable]
  127 |     int i, tdime[3], ti, tnlev[3], nlev;
      |                                    ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:26: warning: unused variable 'tnlev' [-Wunused-variable]
  127 |     int i, tdime[3], ti, tnlev[3], nlev;
      |                          ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:22: warning: unused variable 'ti' [-Wunused-variable]
  127 |     int i, tdime[3], ti, tnlev[3], nlev;
      |                      ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:12: warning: unused variable 'tdime' [-Wunused-variable]
  127 |     int i, tdime[3], ti, tnlev[3], nlev;
      |            ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:9: warning: unused variable 'i' [-Wunused-variable]
  127 |     int i, tdime[3], ti, tnlev[3], nlev;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c: In function 'BEMparm_copy':
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:176:9: warning: unused variable 'i' [-Wunused-variable]
  176 |     int i;
      |         ^
[ 14%] Building C object src/generic/CMakeFiles/apbs_generic.dir/geoflowparm.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c: In function 'GEOFLOWparm_ctor2':
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:79:9: warning: unused variable 'i' [-Wunused-variable]
   79 |     int i;
      |         ^
[ 16%] Building C object src/generic/CMakeFiles/apbs_generic.dir/apolparm.c.o
[ 17%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vacc.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function 'VaccSurf_dtor':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:841:11: warning: variable 'mem' set but not used [-Wunused-but-set-variable]
  841 |     Vmem *mem;
      |           ^~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function 'Vacc_splineAccGradAtomNorm3':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1104:27: warning: variable 'e5' set but not used [-Wunused-but-set-variable]
 1104 |     double e, e2, e3, e4, e5;
      |                           ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function 'Vacc_atomdSASA':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1338:12: warning: variable 'ts' set but not used [-Wunused-but-set-variable]
 1338 |     time_t ts;
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1335:15: warning: variable 'ref' set but not used [-Wunused-but-set-variable]
 1335 |     VaccSurf *ref;
      |               ^~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function 'Vacc_totalAtomdSASA':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1395:15: warning: variable 'ref' set but not used [-Wunused-but-set-variable]
 1395 |     VaccSurf *ref;
      |               ^~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1392:23: warning: variable 'tRad' set but not used [-Wunused-but-set-variable]
 1392 |     double *temp_Pos, tRad;
      |                       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1391:9: warning: variable 'iatom' set but not used [-Wunused-but-set-variable]
 1391 |     int iatom;
      |         ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function 'Vacc_totalAtomdSAV':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1454:15: warning: variable 'ref' set but not used [-Wunused-but-set-variable]
 1454 |     VaccSurf *ref;
      |               ^~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1451:23: warning: variable 'tRad' set but not used [-Wunused-but-set-variable]
 1451 |     double *temp_Pos, tRad;
      |                       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1450:9: warning: variable 'iatom' set but not used [-Wunused-but-set-variable]
 1450 |     int iatom;
      |         ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function 'Vacc_wcaEnergyAtom':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1584:9: warning: variable 'npts' set but not used [-Wunused-but-set-variable]
 1584 |     int npts[3];
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function 'Vacc_wcaForceAtom':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1807:12: warning: variable 'ts' set but not used [-Wunused-but-set-variable]
 1807 |     time_t ts;
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1764:9: warning: variable 'npts' set but not used [-Wunused-but-set-variable]
 1764 |         npts[3],
      |         ^~~~
[ 18%] Building C object src/generic/CMakeFiles/apbs_generic.dir/valist.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c: In function 'Valist_readPQR':
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:618:10: warning: unused variable 'chs' [-Wunused-variable]
  618 |     char chs[VMAX_BUFSIZE];
      |          ^~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c: In function 'Valist_readXML':
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:834:17: warning: 'radius' may be used uninitialized [-Wmaybe-uninitialized]
  834 |                 Vatom_setRadius(nextAtom, radius);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:736:29: note: 'radius' was declared here
  736 |     double x, y, z, charge, radius, dtmp;
      |                             ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:833:17: warning: 'charge' may be used uninitialized [-Wmaybe-uninitialized]
  833 |                 Vatom_setCharge(nextAtom, charge);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:736:21: note: 'charge' was declared here
  736 |     double x, y, z, charge, radius, dtmp;
      |                     ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:831:48: warning: 'z' may be used uninitialized [-Wmaybe-uninitialized]
  831 |                 pos[0] = x; pos[1] = y; pos[2] = z;
      |                                         ~~~~~~~^~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:736:18: note: 'z' was declared here
  736 |     double x, y, z, charge, radius, dtmp;
      |                  ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:831:36: warning: 'y' may be used uninitialized [-Wmaybe-uninitialized]
  831 |                 pos[0] = x; pos[1] = y; pos[2] = z;
      |                             ~~~~~~~^~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:736:15: note: 'y' was declared here
  736 |     double x, y, z, charge, radius, dtmp;
      |               ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:831:24: warning: 'x' may be used uninitialized [-Wmaybe-uninitialized]
  831 |                 pos[0] = x; pos[1] = y; pos[2] = z;
      |                 ~~~~~~~^~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:736:12: note: 'x' was declared here
  736 |     double x, y, z, charge, radius, dtmp;
      |            ^
[ 19%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vatom.c.o
[ 20%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vpbe.c.o
[ 21%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vcap.c.o
[ 22%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vclist.c.o
[ 24%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vstring.c.o
[ 25%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vparam.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c: In function 'Vparam_readXMLFile':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:394:17: warning: 'nalloc' may be used uninitialized [-Wmaybe-uninitialized]
  394 |                 Vmem_free(thee->vmem, nalloc, sizeof(Vparam_AtomData),
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  395 |                           (void **)&(atoms));
      |                           ~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:309:26: note: 'nalloc' was declared here
  309 |     int i, ires, natoms, nalloc, ralloc;
      |                          ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:391:28: warning: 'natoms' may be used uninitialized [-Wmaybe-uninitialized]
  391 |                 for (i=0; i<natoms; i++) {
      |                           ~^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:309:18: note: 'natoms' was declared here
  309 |     int i, ires, natoms, nalloc, ralloc;
      |                  ^~~~~~
[ 26%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vgreen.c.o
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: In function 'Vgreen_coulomb_direct':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:31: warning: unused variable 'fz' [-Wunused-variable]
  229 |     double *q, qtemp, fx, fy, fz;
      |                               ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:27: warning: unused variable 'fy' [-Wunused-variable]
  229 |     double *q, qtemp, fx, fy, fz;
      |                           ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:23: warning: unused variable 'fx' [-Wunused-variable]
  229 |     double *q, qtemp, fx, fy, fz;
      |                       ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:16: warning: unused variable 'qtemp' [-Wunused-variable]
  229 |     double *q, qtemp, fx, fy, fz;
      |                ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:13: warning: unused variable 'q' [-Wunused-variable]
  229 |     double *q, qtemp, fx, fy, fz;
      |             ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: In function 'Vgreen_coulomb':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:264:9: warning: unused variable 'iatom' [-Wunused-variable]
  264 |     int iatom, ipos;
      |         ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:31: warning: unused variable 'fz' [-Wunused-variable]
  263 |     double *q, qtemp, fx, fy, fz;
      |                               ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:27: warning: unused variable 'fy' [-Wunused-variable]
  263 |     double *q, qtemp, fx, fy, fz;
      |                           ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:23: warning: unused variable 'fx' [-Wunused-variable]
  263 |     double *q, qtemp, fx, fy, fz;
      |                       ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:16: warning: unused variable 'qtemp' [-Wunused-variable]
  263 |     double *q, qtemp, fx, fy, fz;
      |                ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:13: warning: unused variable 'q' [-Wunused-variable]
  263 |     double *q, qtemp, fx, fy, fz;
      |             ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:45: warning: unused variable 'scale' [-Wunused-variable]
  262 |     double *apos, charge, dist, dx, dy, dz, scale;
      |                                             ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:41: warning: unused variable 'dz' [-Wunused-variable]
  262 |     double *apos, charge, dist, dx, dy, dz, scale;
      |                                         ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:37: warning: unused variable 'dy' [-Wunused-variable]
  262 |     double *apos, charge, dist, dx, dy, dz, scale;
      |                                     ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:33: warning: unused variable 'dx' [-Wunused-variable]
  262 |     double *apos, charge, dist, dx, dy, dz, scale;
      |                                 ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:27: warning: unused variable 'dist' [-Wunused-variable]
  262 |     double *apos, charge, dist, dx, dy, dz, scale;
      |                           ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:19: warning: unused variable 'charge' [-Wunused-variable]
  262 |     double *apos, charge, dist, dx, dy, dz, scale;
      |                   ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:13: warning: unused variable 'apos' [-Wunused-variable]
  262 |     double *apos, charge, dist, dx, dy, dz, scale;
      |             ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:261:12: warning: unused variable 'atom' [-Wunused-variable]
  261 |     Vatom *atom;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: In function 'Vgreen_coulombD_direct':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:316:16: warning: unused variable 'qtemp' [-Wunused-variable]
  316 |     double *q, qtemp;
      |                ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:316:13: warning: unused variable 'q' [-Wunused-variable]
  316 |     double *q, qtemp;
      |             ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: In function 'Vgreen_coulombD':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:368:9: warning: unused variable 'iatom' [-Wunused-variable]
  368 |     int iatom, ipos;
      |         ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:367:16: warning: unused variable 'qtemp' [-Wunused-variable]
  367 |     double *q, qtemp;
      |                ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:367:13: warning: unused variable 'q' [-Wunused-variable]
  367 |     double *q, qtemp;
      |             ^
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:60: warning: unused variable 'scale' [-Wunused-variable]
  366 |     double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale;
      |                                                            ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:56: warning: unused variable 'dx' [-Wunused-variable]
  366 |     double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale;
      |                                                        ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:52: warning: unused variable 'dz' [-Wunused-variable]
  366 |     double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale;
      |                                                    ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:48: warning: unused variable 'dy' [-Wunused-variable]
  366 |     double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale;
      |                                                ^~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:40: warning: unused variable 'idist3' [-Wunused-variable]
  366 |     double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale;
      |                                        ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:33: warning: unused variable 'dist2' [-Wunused-variable]
  366 |     double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale;
      |                                 ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:27: warning: unused variable 'dist' [-Wunused-variable]
  366 |     double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale;
      |                           ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:19: warning: unused variable 'charge' [-Wunused-variable]
  366 |     double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale;
      |                   ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:13: warning: unused variable 'apos' [-Wunused-variable]
  366 |     double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale;
      |             ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:365:12: warning: unused variable 'atom' [-Wunused-variable]
  365 |     Vatom *atom;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:525:14: warning: 'treecalc' defined but not used [-Wunused-function]
  525 | VPRIVATE int treecalc(Vgreen *thee, double *xtar, double *ytar, double *ztar,
      |              ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:505:14: warning: 'treecleanup' defined but not used [-Wunused-function]
  505 | VPRIVATE int treecleanup(Vgreen *thee) {
      |              ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:425:14: warning: 'treesetup' defined but not used [-Wunused-function]
  425 | VPRIVATE int treesetup(Vgreen *thee) {
      |              ^~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 26%] Built target apbs_generic
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 27%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/buildAd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.h:57,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c: In function 'VbuildA':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:66:5: note: in expansion of macro 'MAT2'
   66 |     MAT2(ac, *nx * *ny * *nz, 14);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c: In function 'VbuildA_fv':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gzcf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:167:5: note: in expansion of macro 'MAT3'
  167 |     MAT3(gzcf, *nx, *ny,   2);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gycf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:166:5: note: in expansion of macro 'MAT3'
  166 |     MAT3(gycf, *nx, *nz,   2);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gxcf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:165:5: note: in expansion of macro 'MAT3'
  165 |     MAT3(gxcf, *ny, *nz,   2);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:164:5: note: in expansion of macro 'MAT3'
  164 |     MAT3(  oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:163:5: note: in expansion of macro 'MAT3'
  163 |     MAT3(  oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:162:5: note: in expansion of macro 'MAT3'
  162 |     MAT3(  uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_a3cf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:161:5: note: in expansion of macro 'MAT3'
  161 |     MAT3(a3cf, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_a2cf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:160:5: note: in expansion of macro 'MAT3'
  160 |     MAT3(a2cf, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_a1cf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:159:5: note: in expansion of macro 'MAT3'
  159 |     MAT3(a1cf, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:158:5: note: in expansion of macro 'MAT3'
  158 |     MAT3(  oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_ccf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:157:5: note: in expansion of macro 'MAT3'
  157 |     MAT3( ccf, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:156:5: note: in expansion of macro 'MAT3'
  156 |     MAT3(  cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fcf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:155:5: note: in expansion of macro 'MAT3'
  155 |     MAT3( fcf, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:154:5: note: in expansion of macro 'MAT3'
  154 |     MAT3(  fc, *nx, *ny, *nz);
      |     ^~~~
[ 28%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/buildBd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.h:57,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c: In function 'Vbuildband':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:65:5: note: in expansion of macro 'MAT2'
   65 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c: In function 'Vbuildband1_7':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:133:5: note: in expansion of macro 'MAT3'
  133 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:132:5: note: in expansion of macro 'MAT3'
  132 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:131:5: note: in expansion of macro 'MAT3'
  131 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:130:5: note: in expansion of macro 'MAT3'
  130 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_acB' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:128:5: note: in expansion of macro 'MAT2'
  128 |     MAT2(acB, *lda, *ny-1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c: In function 'Vbuildband1_27':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:213:5: note: in expansion of macro 'MAT3'
  213 |     MAT3(uSW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:212:5: note: in expansion of macro 'MAT3'
  212 |     MAT3(uSE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:211:5: note: in expansion of macro 'MAT3'
  211 |     MAT3(uNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:210:5: note: in expansion of macro 'MAT3'
  210 |     MAT3(uNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:208:5: note: in expansion of macro 'MAT3'
  208 |     MAT3( uS, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:207:5: note: in expansion of macro 'MAT3'
  207 |     MAT3( uN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:206:5: note: in expansion of macro 'MAT3'
  206 |     MAT3( uW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:205:5: note: in expansion of macro 'MAT3'
  205 |     MAT3( uE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:203:5: note: in expansion of macro 'MAT3'
  203 |     MAT3(oNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:202:5: note: in expansion of macro 'MAT3'
  202 |     MAT3(oNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:200:5: note: in expansion of macro 'MAT3'
  200 |     MAT3( uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:199:5: note: in expansion of macro 'MAT3'
  199 |     MAT3( oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:198:5: note: in expansion of macro 'MAT3'
  198 |     MAT3( oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:197:5: note: in expansion of macro 'MAT3'
  197 |     MAT3( oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_acB' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:195:5: note: in expansion of macro 'MAT2'
  195 |     MAT2(acB, *lda, *ny-1);
      |     ^~~~
[ 29%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/buildGd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.h:57,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c: In function 'VbuildG':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:64:5: note: in expansion of macro 'MAT2'
   64 |     MAT2(  ac, *nxc * *nyc * *nzc, 27);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_acFF' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:63:5: note: in expansion of macro 'MAT2'
   63 |     MAT2(acFF, *nxf * *nyf * *nzf, 27);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_pcFF' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:62:5: note: in expansion of macro 'MAT2'
   62 |     MAT2(pcFF, *nxc * *nyc * *nzc, 27);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c: In function 'VbuildG_1':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:216:5: note: in expansion of macro 'MAT3'
  216 |     MAT3(dPSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:215:5: note: in expansion of macro 'MAT3'
  215 |     MAT3(dPSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:214:5: note: in expansion of macro 'MAT3'
  214 |     MAT3(dPNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:213:5: note: in expansion of macro 'MAT3'
  213 |     MAT3(dPNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:212:5: note: in expansion of macro 'MAT3'
  212 |     MAT3( dPW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:211:5: note: in expansion of macro 'MAT3'
  211 |     MAT3( dPE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:210:5: note: in expansion of macro 'MAT3'
  210 |     MAT3( dPS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:209:5: note: in expansion of macro 'MAT3'
  209 |     MAT3( dPN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:208:5: note: in expansion of macro 'MAT3'
  208 |     MAT3( dPC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:206:5: note: in expansion of macro 'MAT3'
  206 |     MAT3(uPSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:205:5: note: in expansion of macro 'MAT3'
  205 |     MAT3(uPSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:204:5: note: in expansion of macro 'MAT3'
  204 |     MAT3(uPNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:203:5: note: in expansion of macro 'MAT3'
  203 |     MAT3(uPNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:202:5: note: in expansion of macro 'MAT3'
  202 |     MAT3( uPW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:201:5: note: in expansion of macro 'MAT3'
  201 |     MAT3( uPE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:200:5: note: in expansion of macro 'MAT3'
  200 |     MAT3( uPS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:199:5: note: in expansion of macro 'MAT3'
  199 |     MAT3( uPN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:198:5: note: in expansion of macro 'MAT3'
  198 |     MAT3( uPC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:196:5: note: in expansion of macro 'MAT3'
  196 |     MAT3(oPSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:195:5: note: in expansion of macro 'MAT3'
  195 |     MAT3(oPSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:194:5: note: in expansion of macro 'MAT3'
  194 |     MAT3(oPNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:193:5: note: in expansion of macro 'MAT3'
  193 |     MAT3(oPNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:192:5: note: in expansion of macro 'MAT3'
  192 |     MAT3( oPW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:191:5: note: in expansion of macro 'MAT3'
  191 |     MAT3( oPE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:190:5: note: in expansion of macro 'MAT3'
  190 |     MAT3( oPS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:189:5: note: in expansion of macro 'MAT3'
  189 |     MAT3( oPN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:188:5: note: in expansion of macro 'MAT3'
  188 |     MAT3( oPC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:186:5: note: in expansion of macro 'MAT3'
  186 |     MAT3(XuSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:185:5: note: in expansion of macro 'MAT3'
  185 |     MAT3(XuSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:184:5: note: in expansion of macro 'MAT3'
  184 |     MAT3(XuNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:183:5: note: in expansion of macro 'MAT3'
  183 |     MAT3(XuNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:182:5: note: in expansion of macro 'MAT3'
  182 |     MAT3( XuS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:181:5: note: in expansion of macro 'MAT3'
  181 |     MAT3( XuN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:180:5: note: in expansion of macro 'MAT3'
  180 |     MAT3( XuW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:179:5: note: in expansion of macro 'MAT3'
  179 |     MAT3( XuE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:177:5: note: in expansion of macro 'MAT3'
  177 |     MAT3(XoNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:176:5: note: in expansion of macro 'MAT3'
  176 |     MAT3(XoNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:174:5: note: in expansion of macro 'MAT3'
  174 |     MAT3( XuC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:172:5: note: in expansion of macro 'MAT3'
  172 |     MAT3( XoN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:171:5: note: in expansion of macro 'MAT3'
  171 |     MAT3( XoE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:170:5: note: in expansion of macro 'MAT3'
  170 |     MAT3( XoC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:168:5: note: in expansion of macro 'MAT3'
  168 |     MAT3(  oC, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:164:21: warning: variable 'nzm1' set but not used [-Wunused-but-set-variable]
  164 |     int nxm1, nym1, nzm1;
      |                     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:164:15: warning: variable 'nym1' set but not used [-Wunused-but-set-variable]
  164 |     int nxm1, nym1, nzm1;
      |               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:164:9: warning: variable 'nxm1' set but not used [-Wunused-but-set-variable]
  164 |     int nxm1, nym1, nzm1;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:163:33: warning: variable 'kkm1' set but not used [-Wunused-but-set-variable]
  163 |     int iim1, iip1, jjm1, jjp1, kkm1, kkp1;
      |                                 ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c: In function 'VbuildG_7':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:532:5: note: in expansion of macro 'MAT3'
  532 |     MAT3(dPSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:531:5: note: in expansion of macro 'MAT3'
  531 |     MAT3(dPSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:530:5: note: in expansion of macro 'MAT3'
  530 |     MAT3(dPNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:529:5: note: in expansion of macro 'MAT3'
  529 |     MAT3(dPNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:528:5: note: in expansion of macro 'MAT3'
  528 |     MAT3( dPW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:527:5: note: in expansion of macro 'MAT3'
  527 |     MAT3( dPE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:526:5: note: in expansion of macro 'MAT3'
  526 |     MAT3( dPS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:525:5: note: in expansion of macro 'MAT3'
  525 |     MAT3( dPN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:524:5: note: in expansion of macro 'MAT3'
  524 |     MAT3( dPC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:522:5: note: in expansion of macro 'MAT3'
  522 |     MAT3(uPSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:521:5: note: in expansion of macro 'MAT3'
  521 |     MAT3(uPSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:520:5: note: in expansion of macro 'MAT3'
  520 |     MAT3(uPNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:519:5: note: in expansion of macro 'MAT3'
  519 |     MAT3(uPNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:518:5: note: in expansion of macro 'MAT3'
  518 |     MAT3( uPW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:517:5: note: in expansion of macro 'MAT3'
  517 |     MAT3( uPE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:516:5: note: in expansion of macro 'MAT3'
  516 |     MAT3( uPS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:515:5: note: in expansion of macro 'MAT3'
  515 |     MAT3( uPN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:514:5: note: in expansion of macro 'MAT3'
  514 |     MAT3( uPC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:512:5: note: in expansion of macro 'MAT3'
  512 |     MAT3(oPSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:511:5: note: in expansion of macro 'MAT3'
  511 |     MAT3(oPSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:510:5: note: in expansion of macro 'MAT3'
  510 |     MAT3(oPNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:509:5: note: in expansion of macro 'MAT3'
  509 |     MAT3(oPNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:508:5: note: in expansion of macro 'MAT3'
  508 |     MAT3( oPW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:507:5: note: in expansion of macro 'MAT3'
  507 |     MAT3( oPE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:506:5: note: in expansion of macro 'MAT3'
  506 |     MAT3( oPS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:505:5: note: in expansion of macro 'MAT3'
  505 |     MAT3( oPN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:504:5: note: in expansion of macro 'MAT3'
  504 |     MAT3( oPC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:502:5: note: in expansion of macro 'MAT3'
  502 |     MAT3(XuSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:501:5: note: in expansion of macro 'MAT3'
  501 |     MAT3(XuSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:500:5: note: in expansion of macro 'MAT3'
  500 |     MAT3(XuNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:499:5: note: in expansion of macro 'MAT3'
  499 |     MAT3(XuNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:498:5: note: in expansion of macro 'MAT3'
  498 |     MAT3( XuS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:497:5: note: in expansion of macro 'MAT3'
  497 |     MAT3( XuN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:496:5: note: in expansion of macro 'MAT3'
  496 |     MAT3( XuW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:495:5: note: in expansion of macro 'MAT3'
  495 |     MAT3( XuE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:494:5: note: in expansion of macro 'MAT3'
  494 |     MAT3( XuC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:492:5: note: in expansion of macro 'MAT3'
  492 |     MAT3(XoNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:491:5: note: in expansion of macro 'MAT3'
  491 |     MAT3(XoNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:490:5: note: in expansion of macro 'MAT3'
  490 |     MAT3( XoN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:489:5: note: in expansion of macro 'MAT3'
  489 |     MAT3( XoE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:488:5: note: in expansion of macro 'MAT3'
  488 |     MAT3( XoC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:486:5: note: in expansion of macro 'MAT3'
  486 |     MAT3(  uC, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:484:5: note: in expansion of macro 'MAT3'
  484 |     MAT3(  oN, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:483:5: note: in expansion of macro 'MAT3'
  483 |     MAT3(  oE, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:482:5: note: in expansion of macro 'MAT3'
  482 |     MAT3(  oC, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:473:21: warning: variable 'nzm1' set but not used [-Wunused-but-set-variable]
  473 |     int nxm1, nym1, nzm1;
      |                     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:473:15: warning: variable 'nym1' set but not used [-Wunused-but-set-variable]
  473 |     int nxm1, nym1, nzm1;
      |               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:473:9: warning: variable 'nxm1' set but not used [-Wunused-but-set-variable]
  473 |     int nxm1, nym1, nzm1;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:472:9: warning: variable 'kkm1' set but not used [-Wunused-but-set-variable]
  472 |     int kkm1, kkp1;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:469:28: warning: variable 'kp2' set but not used [-Wunused-but-set-variable]
  469 |     int  km1,  kp1,  km2,  kp2;
      |                            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:469:22: warning: variable 'km2' set but not used [-Wunused-but-set-variable]
  469 |     int  km1,  kp1,  km2,  kp2;
      |                      ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:468:28: warning: variable 'jp2' set but not used [-Wunused-but-set-variable]
  468 |     int  jm1,  jp1,  jm2,  jp2;
      |                            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:467:28: warning: variable 'ip2' set but not used [-Wunused-but-set-variable]
  467 |     int  im1,  ip1,  im2,  ip2;
      |                            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c: In function 'VbuildG_27':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1380:5: note: in expansion of macro 'MAT3'
 1380 |     MAT3(dPSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1379:5: note: in expansion of macro 'MAT3'
 1379 |     MAT3(dPSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1378:5: note: in expansion of macro 'MAT3'
 1378 |     MAT3(dPNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1377:5: note: in expansion of macro 'MAT3'
 1377 |     MAT3(dPNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1376:5: note: in expansion of macro 'MAT3'
 1376 |     MAT3( dPW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1375:5: note: in expansion of macro 'MAT3'
 1375 |     MAT3( dPE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1374:5: note: in expansion of macro 'MAT3'
 1374 |     MAT3( dPS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1373:5: note: in expansion of macro 'MAT3'
 1373 |     MAT3( dPN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1372:5: note: in expansion of macro 'MAT3'
 1372 |     MAT3( dPC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1370:5: note: in expansion of macro 'MAT3'
 1370 |     MAT3(uPSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1369:5: note: in expansion of macro 'MAT3'
 1369 |     MAT3(uPSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1368:5: note: in expansion of macro 'MAT3'
 1368 |     MAT3(uPNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1367:5: note: in expansion of macro 'MAT3'
 1367 |     MAT3(uPNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1366:5: note: in expansion of macro 'MAT3'
 1366 |     MAT3( uPW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1365:5: note: in expansion of macro 'MAT3'
 1365 |     MAT3( uPE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1364:5: note: in expansion of macro 'MAT3'
 1364 |     MAT3( uPS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1363:5: note: in expansion of macro 'MAT3'
 1363 |     MAT3( uPN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1362:5: note: in expansion of macro 'MAT3'
 1362 |     MAT3( uPC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1360:5: note: in expansion of macro 'MAT3'
 1360 |     MAT3(oPSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1359:5: note: in expansion of macro 'MAT3'
 1359 |     MAT3(oPSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1358:5: note: in expansion of macro 'MAT3'
 1358 |     MAT3(oPNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1357:5: note: in expansion of macro 'MAT3'
 1357 |     MAT3(oPNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1356:5: note: in expansion of macro 'MAT3'
 1356 |     MAT3( oPW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1355:5: note: in expansion of macro 'MAT3'
 1355 |     MAT3( oPE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1354:5: note: in expansion of macro 'MAT3'
 1354 |     MAT3( oPS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1353:5: note: in expansion of macro 'MAT3'
 1353 |     MAT3( oPN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1352:5: note: in expansion of macro 'MAT3'
 1352 |     MAT3( oPC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1350:5: note: in expansion of macro 'MAT3'
 1350 |     MAT3(XuSW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1349:5: note: in expansion of macro 'MAT3'
 1349 |     MAT3(XuSE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1348:5: note: in expansion of macro 'MAT3'
 1348 |     MAT3(XuNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1347:5: note: in expansion of macro 'MAT3'
 1347 |     MAT3(XuNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1346:5: note: in expansion of macro 'MAT3'
 1346 |     MAT3( XuS, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1345:5: note: in expansion of macro 'MAT3'
 1345 |     MAT3( XuN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1344:5: note: in expansion of macro 'MAT3'
 1344 |     MAT3( XuW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1343:5: note: in expansion of macro 'MAT3'
 1343 |     MAT3( XuE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XuC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1342:5: note: in expansion of macro 'MAT3'
 1342 |     MAT3( XuC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1340:5: note: in expansion of macro 'MAT3'
 1340 |     MAT3(XoNW, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1339:5: note: in expansion of macro 'MAT3'
 1339 |     MAT3(XoNE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1338:5: note: in expansion of macro 'MAT3'
 1338 |     MAT3( XoN, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1337:5: note: in expansion of macro 'MAT3'
 1337 |     MAT3( XoE, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_XoC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1336:5: note: in expansion of macro 'MAT3'
 1336 |     MAT3( XoC, *nx, *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1334:5: note: in expansion of macro 'MAT3'
 1334 |     MAT3( uSW, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1333:5: note: in expansion of macro 'MAT3'
 1333 |     MAT3( uSE, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1332:5: note: in expansion of macro 'MAT3'
 1332 |     MAT3( uNW, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1331:5: note: in expansion of macro 'MAT3'
 1331 |     MAT3( uNE, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1330:5: note: in expansion of macro 'MAT3'
 1330 |     MAT3(  uS, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1329:5: note: in expansion of macro 'MAT3'
 1329 |     MAT3(  uN, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1328:5: note: in expansion of macro 'MAT3'
 1328 |     MAT3(  uW, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1327:5: note: in expansion of macro 'MAT3'
 1327 |     MAT3(  uE, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1326:5: note: in expansion of macro 'MAT3'
 1326 |     MAT3(  uC, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1324:5: note: in expansion of macro 'MAT3'
 1324 |     MAT3( oNW, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1323:5: note: in expansion of macro 'MAT3'
 1323 |     MAT3( oNE, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1322:5: note: in expansion of macro 'MAT3'
 1322 |     MAT3(  oN, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1321:5: note: in expansion of macro 'MAT3'
 1321 |     MAT3(  oE, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1320:5: note: in expansion of macro 'MAT3'
 1320 |     MAT3(  oC, *nxf, *nyf,  *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1277:21: warning: variable 'nzm1' set but not used [-Wunused-but-set-variable]
 1277 |     int nxm1, nym1, nzm1;
      |                     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1277:15: warning: variable 'nym1' set but not used [-Wunused-but-set-variable]
 1277 |     int nxm1, nym1, nzm1;
      |               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1277:9: warning: variable 'nxm1' set but not used [-Wunused-but-set-variable]
 1277 |     int nxm1, nym1, nzm1;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1276:9: warning: variable 'kkm1' set but not used [-Wunused-but-set-variable]
 1276 |     int kkm1, kkp1;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1273:28: warning: variable 'kp2' set but not used [-Wunused-but-set-variable]
 1273 |     int  km1,  kp1,  km2,  kp2;
      |                            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1273:22: warning: variable 'km2' set but not used [-Wunused-but-set-variable]
 1273 |     int  km1,  kp1,  km2,  kp2;
      |                      ^~~
[ 31%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/buildPd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.h:58,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function 'VbuildP':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:67:5: note: in expansion of macro 'MAT2'
   67 |     MAT2(ac, *nxf * *nyf * *nzf, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_pc' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:66:5: note: in expansion of macro 'MAT2'
   66 |     MAT2(pc, *nxc * *nyc * *nzc, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function 'VbuildP_trilin':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_pc' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:101:5: note: in expansion of macro 'MAT2'
  101 |     MAT2(pc, *nxc * *nyc * *nzc, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function 'VbuildPb_trilin':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:163:5: note: in expansion of macro 'MAT3'
  163 |     MAT3(dPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:162:5: note: in expansion of macro 'MAT3'
  162 |     MAT3(dPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:161:5: note: in expansion of macro 'MAT3'
  161 |     MAT3(dPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:160:5: note: in expansion of macro 'MAT3'
  160 |     MAT3(dPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:158:5: note: in expansion of macro 'MAT3'
  158 |     MAT3( dPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:157:5: note: in expansion of macro 'MAT3'
  157 |     MAT3( dPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:156:5: note: in expansion of macro 'MAT3'
  156 |     MAT3( dPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:155:5: note: in expansion of macro 'MAT3'
  155 |     MAT3( dPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:154:5: note: in expansion of macro 'MAT3'
  154 |     MAT3( dPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:152:5: note: in expansion of macro 'MAT3'
  152 |     MAT3(uPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:151:5: note: in expansion of macro 'MAT3'
  151 |     MAT3(uPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:150:5: note: in expansion of macro 'MAT3'
  150 |     MAT3(uPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:149:5: note: in expansion of macro 'MAT3'
  149 |     MAT3(uPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:147:5: note: in expansion of macro 'MAT3'
  147 |     MAT3( uPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:146:5: note: in expansion of macro 'MAT3'
  146 |     MAT3( uPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:145:5: note: in expansion of macro 'MAT3'
  145 |     MAT3( uPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:144:5: note: in expansion of macro 'MAT3'
  144 |     MAT3( uPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:143:5: note: in expansion of macro 'MAT3'
  143 |     MAT3( uPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:141:5: note: in expansion of macro 'MAT3'
  141 |     MAT3(oPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:140:5: note: in expansion of macro 'MAT3'
  140 |     MAT3(oPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:139:5: note: in expansion of macro 'MAT3'
  139 |     MAT3(oPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:138:5: note: in expansion of macro 'MAT3'
  138 |     MAT3(oPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:136:5: note: in expansion of macro 'MAT3'
  136 |     MAT3( oPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:135:5: note: in expansion of macro 'MAT3'
  135 |     MAT3( oPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:134:5: note: in expansion of macro 'MAT3'
  134 |     MAT3( oPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:133:5: note: in expansion of macro 'MAT3'
  133 |     MAT3( oPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:132:5: note: in expansion of macro 'MAT3'
  132 |     MAT3( oPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function 'VbuildP_op7':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_pc' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:212:5: note: in expansion of macro 'MAT2'
  212 |     MAT2(pc, *nxc * *nyc * *nzc, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:211:5: note: in expansion of macro 'MAT2'
  211 |     MAT2(ac, *nxf * *nyf * *nzf, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function 'VbuildPb_op7':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:287:5: note: in expansion of macro 'MAT3'
  287 |     MAT3(dPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:286:5: note: in expansion of macro 'MAT3'
  286 |     MAT3(dPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:285:5: note: in expansion of macro 'MAT3'
  285 |     MAT3(dPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:284:5: note: in expansion of macro 'MAT3'
  284 |     MAT3(dPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:283:5: note: in expansion of macro 'MAT3'
  283 |     MAT3( dPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:282:5: note: in expansion of macro 'MAT3'
  282 |     MAT3( dPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:281:5: note: in expansion of macro 'MAT3'
  281 |     MAT3( dPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:280:5: note: in expansion of macro 'MAT3'
  280 |     MAT3( dPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:279:5: note: in expansion of macro 'MAT3'
  279 |     MAT3( dPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:278:5: note: in expansion of macro 'MAT3'
  278 |     MAT3(uPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:277:5: note: in expansion of macro 'MAT3'
  277 |     MAT3(uPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:276:5: note: in expansion of macro 'MAT3'
  276 |     MAT3(uPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:275:5: note: in expansion of macro 'MAT3'
  275 |     MAT3(uPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:274:5: note: in expansion of macro 'MAT3'
  274 |     MAT3( uPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:273:5: note: in expansion of macro 'MAT3'
  273 |     MAT3( uPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:272:5: note: in expansion of macro 'MAT3'
  272 |     MAT3( uPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:271:5: note: in expansion of macro 'MAT3'
  271 |     MAT3( uPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:270:5: note: in expansion of macro 'MAT3'
  270 |     MAT3( uPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:269:5: note: in expansion of macro 'MAT3'
  269 |     MAT3(oPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:268:5: note: in expansion of macro 'MAT3'
  268 |     MAT3(oPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:267:5: note: in expansion of macro 'MAT3'
  267 |     MAT3(oPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:266:5: note: in expansion of macro 'MAT3'
  266 |     MAT3(oPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:265:5: note: in expansion of macro 'MAT3'
  265 |     MAT3( oPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:264:5: note: in expansion of macro 'MAT3'
  264 |     MAT3( oPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:263:5: note: in expansion of macro 'MAT3'
  263 |     MAT3( oPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:262:5: note: in expansion of macro 'MAT3'
  262 |     MAT3( oPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:261:5: note: in expansion of macro 'MAT3'
  261 |     MAT3( oPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:260:5: note: in expansion of macro 'MAT3'
  260 |     MAT3(  uC, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:259:5: note: in expansion of macro 'MAT3'
  259 |     MAT3(  oN, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:258:5: note: in expansion of macro 'MAT3'
  258 |     MAT3(  oE, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:257:5: note: in expansion of macro 'MAT3'
  257 |     MAT3(  oC, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:255:32: warning: variable 'eighth' set but not used [-Wunused-but-set-variable]
  255 |     double won, half, quarter, eighth;
      |                                ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:255:23: warning: variable 'quarter' set but not used [-Wunused-but-set-variable]
  255 |     double won, half, quarter, eighth;
      |                       ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:255:17: warning: variable 'half' set but not used [-Wunused-but-set-variable]
  255 |     double won, half, quarter, eighth;
      |                 ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:253:15: warning: variable 'kkp1' set but not used [-Wunused-but-set-variable]
  253 |     int kkm1, kkp1;
      |               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:253:9: warning: variable 'kkm1' set but not used [-Wunused-but-set-variable]
  253 |     int kkm1, kkp1;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:252:15: warning: variable 'jjp1' set but not used [-Wunused-but-set-variable]
  252 |     int jjm1, jjp1;
      |               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:252:9: warning: variable 'jjm1' set but not used [-Wunused-but-set-variable]
  252 |     int jjm1, jjp1;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:251:15: warning: variable 'iip1' set but not used [-Wunused-but-set-variable]
  251 |     int iim1, iip1;
      |               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:251:9: warning: variable 'iim1' set but not used [-Wunused-but-set-variable]
  251 |     int iim1, iip1;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:250:16: warning: variable 'kp2' set but not used [-Wunused-but-set-variable]
  250 |     int  km2,  kp2;
      |                ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:250:10: warning: variable 'km2' set but not used [-Wunused-but-set-variable]
  250 |     int  km2,  kp2;
      |          ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:248:16: warning: variable 'jp2' set but not used [-Wunused-but-set-variable]
  248 |     int  jm2,  jp2;
      |                ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:248:10: warning: variable 'jm2' set but not used [-Wunused-but-set-variable]
  248 |     int  jm2,  jp2;
      |          ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:246:16: warning: variable 'ip2' set but not used [-Wunused-but-set-variable]
  246 |     int  im2,  ip2;
      |                ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:246:10: warning: variable 'im2' set but not used [-Wunused-but-set-variable]
  246 |     int  im2,  ip2;
      |          ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function 'VbuildP_op27':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_pc' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:728:5: note: in expansion of macro 'MAT2'
  728 |     MAT2(pc, *nxc * *nyc * *nzc, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:727:5: note: in expansion of macro 'MAT2'
  727 |     MAT2(ac, *nxf * *nyf * *nzf, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function 'VbuildPb_op27':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:818:7: note: in expansion of macro 'MAT3'
  818 |       MAT3(dPSW, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:817:7: note: in expansion of macro 'MAT3'
  817 |       MAT3(dPSE, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:816:7: note: in expansion of macro 'MAT3'
  816 |       MAT3(dPNW, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:815:7: note: in expansion of macro 'MAT3'
  815 |       MAT3(dPNE, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:814:7: note: in expansion of macro 'MAT3'
  814 |       MAT3( dPW, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:813:7: note: in expansion of macro 'MAT3'
  813 |       MAT3( dPE, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:812:7: note: in expansion of macro 'MAT3'
  812 |       MAT3( dPS, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:811:7: note: in expansion of macro 'MAT3'
  811 |       MAT3( dPN, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:810:7: note: in expansion of macro 'MAT3'
  810 |       MAT3( dPC, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:809:7: note: in expansion of macro 'MAT3'
  809 |       MAT3(uPSW, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:808:7: note: in expansion of macro 'MAT3'
  808 |       MAT3(uPSE, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:807:7: note: in expansion of macro 'MAT3'
  807 |       MAT3(uPNW, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:806:7: note: in expansion of macro 'MAT3'
  806 |       MAT3(uPNE, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:805:7: note: in expansion of macro 'MAT3'
  805 |       MAT3( uPW, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:804:7: note: in expansion of macro 'MAT3'
  804 |       MAT3( uPE, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:803:7: note: in expansion of macro 'MAT3'
  803 |       MAT3( uPS, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:802:7: note: in expansion of macro 'MAT3'
  802 |       MAT3( uPN, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:801:7: note: in expansion of macro 'MAT3'
  801 |       MAT3( uPC, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:800:7: note: in expansion of macro 'MAT3'
  800 |       MAT3(oPSW, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:799:7: note: in expansion of macro 'MAT3'
  799 |       MAT3(oPSE, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:798:7: note: in expansion of macro 'MAT3'
  798 |       MAT3(oPNW, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:797:7: note: in expansion of macro 'MAT3'
  797 |       MAT3(oPNE, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:796:7: note: in expansion of macro 'MAT3'
  796 |       MAT3( oPW, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:795:7: note: in expansion of macro 'MAT3'
  795 |       MAT3( oPE, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:794:7: note: in expansion of macro 'MAT3'
  794 |       MAT3( oPS, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:793:7: note: in expansion of macro 'MAT3'
  793 |       MAT3( oPN, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:792:7: note: in expansion of macro 'MAT3'
  792 |       MAT3( oPC, *nxc, *nyc, *nzc);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:791:7: note: in expansion of macro 'MAT3'
  791 |       MAT3( uSW, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:790:7: note: in expansion of macro 'MAT3'
  790 |       MAT3( uSE, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:789:7: note: in expansion of macro 'MAT3'
  789 |       MAT3( uNW, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:788:7: note: in expansion of macro 'MAT3'
  788 |       MAT3( uNE, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:787:7: note: in expansion of macro 'MAT3'
  787 |       MAT3(  uS, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:786:7: note: in expansion of macro 'MAT3'
  786 |       MAT3(  uN, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:785:7: note: in expansion of macro 'MAT3'
  785 |       MAT3(  uW, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:784:7: note: in expansion of macro 'MAT3'
  784 |       MAT3(  uE, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:783:7: note: in expansion of macro 'MAT3'
  783 |       MAT3( oNW, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:782:7: note: in expansion of macro 'MAT3'
  782 |       MAT3( oNE, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:781:7: note: in expansion of macro 'MAT3'
  781 |       MAT3(  uC, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:780:7: note: in expansion of macro 'MAT3'
  780 |       MAT3(  oN, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:779:7: note: in expansion of macro 'MAT3'
  779 |       MAT3(  oE, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:778:7: note: in expansion of macro 'MAT3'
  778 |       MAT3(  oC, *nxf, *nyf, *nzf);
      |       ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:776:34: warning: variable 'eighth' set but not used [-Wunused-but-set-variable]
  776 |       double won, half, quarter, eighth;
      |                                  ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:776:25: warning: variable 'quarter' set but not used [-Wunused-but-set-variable]
  776 |       double won, half, quarter, eighth;
      |                         ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:776:19: warning: variable 'half' set but not used [-Wunused-but-set-variable]
  776 |       double won, half, quarter, eighth;
      |                   ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:774:17: warning: variable 'kkp1' set but not used [-Wunused-but-set-variable]
  774 |       int kkm1, kkp1;
      |                 ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:774:11: warning: variable 'kkm1' set but not used [-Wunused-but-set-variable]
  774 |       int kkm1, kkp1;
      |           ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:773:17: warning: variable 'jjp1' set but not used [-Wunused-but-set-variable]
  773 |       int jjm1, jjp1;
      |                 ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:773:11: warning: variable 'jjm1' set but not used [-Wunused-but-set-variable]
  773 |       int jjm1, jjp1;
      |           ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:772:17: warning: variable 'iip1' set but not used [-Wunused-but-set-variable]
  772 |       int iim1, iip1;
      |                 ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:772:11: warning: variable 'iim1' set but not used [-Wunused-but-set-variable]
  772 |       int iim1, iip1;
      |           ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:771:18: warning: variable 'kp2' set but not used [-Wunused-but-set-variable]
  771 |       int  km2,  kp2;
      |                  ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:771:12: warning: variable 'km2' set but not used [-Wunused-but-set-variable]
  771 |       int  km2,  kp2;
      |            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:769:18: warning: variable 'jp2' set but not used [-Wunused-but-set-variable]
  769 |       int  jm2,  jp2;
      |                  ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:769:12: warning: variable 'jm2' set but not used [-Wunused-but-set-variable]
  769 |       int  jm2,  jp2;
      |            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:767:18: warning: variable 'ip2' set but not used [-Wunused-but-set-variable]
  767 |       int  im2,  ip2;
      |                  ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:767:12: warning: variable 'im2' set but not used [-Wunused-but-set-variable]
  767 |       int  im2,  ip2;
      |            ^~~
[ 32%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/cgd.c.o
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c: In function 'Vcghs':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c:99:24: warning: 'rhok1' may be used uninitialized [-Wmaybe-uninitialized]
   99 |           beta = rhok2 / rhok1;
      |                  ~~~~~~^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c:66:12: note: 'rhok1' was declared here
   66 |     double rhok1, rhok2, alpha, beta;
      |            ^~~~~
[ 33%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/gsd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.h:57,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c: In function 'Vgsrb':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:67:5: note: in expansion of macro 'MAT2'
   67 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c: In function 'Vgsrb7x':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:116:5: note: in expansion of macro 'MAT3'
  116 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:115:5: note: in expansion of macro 'MAT3'
  115 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:114:5: note: in expansion of macro 'MAT3'
  114 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:113:5: note: in expansion of macro 'MAT3'
  113 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_r' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:111:5: note: in expansion of macro 'MAT3'
  111 |     MAT3( r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_r' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:111:5: note: in expansion of macro 'MAT3'
  111 |     MAT3( r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_r' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:111:5: note: in expansion of macro 'MAT3'
  111 |     MAT3( r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_w2' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:110:5: note: in expansion of macro 'MAT3'
  110 |     MAT3(w2, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_w2' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:110:5: note: in expansion of macro 'MAT3'
  110 |     MAT3(w2, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_w2' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:110:5: note: in expansion of macro 'MAT3'
  110 |     MAT3(w2, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_w1' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:109:5: note: in expansion of macro 'MAT3'
  109 |     MAT3(w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_w1' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:109:5: note: in expansion of macro 'MAT3'
  109 |     MAT3(w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_w1' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:109:5: note: in expansion of macro 'MAT3'
  109 |     MAT3(w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:108:5: note: in expansion of macro 'MAT3'
  108 |     MAT3( x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:107:5: note: in expansion of macro 'MAT3'
  107 |     MAT3(fc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:106:5: note: in expansion of macro 'MAT3'
  106 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c: In function 'Vgsrb27x':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:208:5: note: in expansion of macro 'MAT3'
  208 |     MAT3(uSW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:207:5: note: in expansion of macro 'MAT3'
  207 |     MAT3(uSE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:206:5: note: in expansion of macro 'MAT3'
  206 |     MAT3(uNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:205:5: note: in expansion of macro 'MAT3'
  205 |     MAT3(uNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:204:5: note: in expansion of macro 'MAT3'
  204 |     MAT3( uS, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:203:5: note: in expansion of macro 'MAT3'
  203 |     MAT3( uN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:202:5: note: in expansion of macro 'MAT3'
  202 |     MAT3( uW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:201:5: note: in expansion of macro 'MAT3'
  201 |     MAT3( uE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:199:5: note: in expansion of macro 'MAT3'
  199 |     MAT3(oNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:198:5: note: in expansion of macro 'MAT3'
  198 |     MAT3(oNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:196:5: note: in expansion of macro 'MAT3'
  196 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:195:5: note: in expansion of macro 'MAT3'
  195 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:194:5: note: in expansion of macro 'MAT3'
  194 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:193:5: note: in expansion of macro 'MAT3'
  193 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_r' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:191:5: note: in expansion of macro 'MAT3'
  191 |     MAT3( r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_r' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:191:5: note: in expansion of macro 'MAT3'
  191 |     MAT3( r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_r' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:191:5: note: in expansion of macro 'MAT3'
  191 |     MAT3( r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_w2' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:190:5: note: in expansion of macro 'MAT3'
  190 |     MAT3(w2, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_w2' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:190:5: note: in expansion of macro 'MAT3'
  190 |     MAT3(w2, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_w2' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:190:5: note: in expansion of macro 'MAT3'
  190 |     MAT3(w2, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_w1' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:189:5: note: in expansion of macro 'MAT3'
  189 |     MAT3(w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_w1' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:189:5: note: in expansion of macro 'MAT3'
  189 |     MAT3(w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_w1' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:189:5: note: in expansion of macro 'MAT3'
  189 |     MAT3(w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:188:5: note: in expansion of macro 'MAT3'
  188 |     MAT3( x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:187:5: note: in expansion of macro 'MAT3'
  187 |     MAT3(fc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:186:5: note: in expansion of macro 'MAT3'
  186 |     MAT3( cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:182:9: warning: variable 'istep' set but not used [-Wunused-but-set-variable]
  182 |     int istep;
      |         ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:180:17: warning: variable 'k2' set but not used [-Wunused-but-set-variable]
  180 |     int i2, j2, k2;
      |                 ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:180:13: warning: variable 'j2' set but not used [-Wunused-but-set-variable]
  180 |     int i2, j2, k2;
      |             ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:180:9: warning: variable 'i2' set but not used [-Wunused-but-set-variable]
  180 |     int i2, j2, k2;
      |         ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:179:17: warning: variable 'k1' set but not used [-Wunused-but-set-variable]
  179 |     int i1, j1, k1;
      |                 ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:179:13: warning: variable 'j1' set but not used [-Wunused-but-set-variable]
  179 |     int i1, j1, k1;
      |             ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:179:9: warning: variable 'i1' set but not used [-Wunused-but-set-variable]
  179 |     int i1, j1, k1;
      |         ^~
[ 34%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/matvecd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.h:55,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vmatvec7':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:87:5: note: in expansion of macro 'MAT2'
   87 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vmatvec7_1s':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_y' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:112:5: note: in expansion of macro 'MAT3'
  112 |     MAT3(y, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:111:5: note: in expansion of macro 'MAT3'
  111 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:110:5: note: in expansion of macro 'MAT3'
  110 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:109:5: note: in expansion of macro 'MAT3'
  109 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:108:5: note: in expansion of macro 'MAT3'
  108 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:107:5: note: in expansion of macro 'MAT3'
  107 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:106:5: note: in expansion of macro 'MAT3'
  106 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vmatvec27':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:139:5: note: in expansion of macro 'MAT2'
  139 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vmatvec27_1s':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:184:5: note: in expansion of macro 'MAT3'
  184 |     MAT3(uSW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:183:5: note: in expansion of macro 'MAT3'
  183 |     MAT3(uSE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:182:5: note: in expansion of macro 'MAT3'
  182 |     MAT3(uNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:181:5: note: in expansion of macro 'MAT3'
  181 |     MAT3(uNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:180:5: note: in expansion of macro 'MAT3'
  180 |     MAT3(uS, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:179:5: note: in expansion of macro 'MAT3'
  179 |     MAT3(uN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:178:5: note: in expansion of macro 'MAT3'
  178 |     MAT3(uW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:177:5: note: in expansion of macro 'MAT3'
  177 |     MAT3(uE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:176:5: note: in expansion of macro 'MAT3'
  176 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:174:5: note: in expansion of macro 'MAT3'
  174 |     MAT3(oNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:173:5: note: in expansion of macro 'MAT3'
  173 |     MAT3(oNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:172:5: note: in expansion of macro 'MAT3'
  172 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:171:5: note: in expansion of macro 'MAT3'
  171 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:170:5: note: in expansion of macro 'MAT3'
  170 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_y' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:168:5: note: in expansion of macro 'MAT3'
  168 |     MAT3(y, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:167:5: note: in expansion of macro 'MAT3'
  167 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:166:5: note: in expansion of macro 'MAT3'
  166 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vnmatvec7':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:263:5: note: in expansion of macro 'MAT2'
  263 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vnmatvecd7_1s':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_w1' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:292:5: note: in expansion of macro 'MAT3'
  292 |     MAT3(w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_y' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:291:5: note: in expansion of macro 'MAT3'
  291 |     MAT3( y, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:290:5: note: in expansion of macro 'MAT3'
  290 |     MAT3( x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:289:5: note: in expansion of macro 'MAT3'
  289 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:288:5: note: in expansion of macro 'MAT3'
  288 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_cc' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:288:5: note: in expansion of macro 'MAT3'
  288 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_cc' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:288:5: note: in expansion of macro 'MAT3'
  288 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:287:5: note: in expansion of macro 'MAT3'
  287 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:286:5: note: in expansion of macro 'MAT3'
  286 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:285:5: note: in expansion of macro 'MAT3'
  285 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vnmatvec27':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:322:5: note: in expansion of macro 'MAT2'
  322 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vnmatvecd27_1s':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_w1' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:370:5: note: in expansion of macro 'MAT3'
  370 |     MAT3( w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_y' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:369:5: note: in expansion of macro 'MAT3'
  369 |     MAT3(  y, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:368:5: note: in expansion of macro 'MAT3'
  368 |     MAT3(  x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:367:5: note: in expansion of macro 'MAT3'
  367 |     MAT3( oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:366:5: note: in expansion of macro 'MAT3'
  366 |     MAT3( cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_cc' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:366:5: note: in expansion of macro 'MAT3'
  366 |     MAT3( cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_cc' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:366:5: note: in expansion of macro 'MAT3'
  366 |     MAT3( cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:365:5: note: in expansion of macro 'MAT3'
  365 |     MAT3(uSW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:364:5: note: in expansion of macro 'MAT3'
  364 |     MAT3(uSE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:363:5: note: in expansion of macro 'MAT3'
  363 |     MAT3(uNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:362:5: note: in expansion of macro 'MAT3'
  362 |     MAT3(uNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:361:5: note: in expansion of macro 'MAT3'
  361 |     MAT3( uS, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:360:5: note: in expansion of macro 'MAT3'
  360 |     MAT3( uN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:359:5: note: in expansion of macro 'MAT3'
  359 |     MAT3( uW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:358:5: note: in expansion of macro 'MAT3'
  358 |     MAT3( uE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:357:5: note: in expansion of macro 'MAT3'
  357 |     MAT3(oNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:356:5: note: in expansion of macro 'MAT3'
  356 |     MAT3(oNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:355:5: note: in expansion of macro 'MAT3'
  355 |     MAT3( uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:354:5: note: in expansion of macro 'MAT3'
  354 |     MAT3( oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:353:5: note: in expansion of macro 'MAT3'
  353 |     MAT3( oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vmresid7':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:451:5: note: in expansion of macro 'MAT2'
  451 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vmresid7_1s':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_r' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:476:5: note: in expansion of macro 'MAT3'
  476 |     MAT3(r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:475:5: note: in expansion of macro 'MAT3'
  475 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:474:5: note: in expansion of macro 'MAT3'
  474 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:473:5: note: in expansion of macro 'MAT3'
  473 |     MAT3(fc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:472:5: note: in expansion of macro 'MAT3'
  472 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:471:5: note: in expansion of macro 'MAT3'
  471 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:470:5: note: in expansion of macro 'MAT3'
  470 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:469:5: note: in expansion of macro 'MAT3'
  469 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vmresid27':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:503:5: note: in expansion of macro 'MAT2'
  503 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vmresid27_1s':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:550:5: note: in expansion of macro 'MAT3'
  550 |     MAT3(uSW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:549:5: note: in expansion of macro 'MAT3'
  549 |     MAT3(uSE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:548:5: note: in expansion of macro 'MAT3'
  548 |     MAT3(uNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:547:5: note: in expansion of macro 'MAT3'
  547 |     MAT3(uNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:546:5: note: in expansion of macro 'MAT3'
  546 |     MAT3(uS, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:545:5: note: in expansion of macro 'MAT3'
  545 |     MAT3(uN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:544:5: note: in expansion of macro 'MAT3'
  544 |     MAT3(uW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:543:5: note: in expansion of macro 'MAT3'
  543 |     MAT3(uE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:542:5: note: in expansion of macro 'MAT3'
  542 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:540:5: note: in expansion of macro 'MAT3'
  540 |     MAT3(oNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:539:5: note: in expansion of macro 'MAT3'
  539 |     MAT3(oNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:538:5: note: in expansion of macro 'MAT3'
  538 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:537:5: note: in expansion of macro 'MAT3'
  537 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:536:5: note: in expansion of macro 'MAT3'
  536 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_r' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:534:5: note: in expansion of macro 'MAT3'
  534 |     MAT3(r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:533:5: note: in expansion of macro 'MAT3'
  533 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:532:5: note: in expansion of macro 'MAT3'
  532 |     MAT3(fc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:531:5: note: in expansion of macro 'MAT3'
  531 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vnmresid7':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:623:5: note: in expansion of macro 'MAT2'
  623 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vnmresid7_1s':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_w1' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:650:5: note: in expansion of macro 'MAT3'
  650 |     MAT3(w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_r' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:649:5: note: in expansion of macro 'MAT3'
  649 |     MAT3( r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:648:5: note: in expansion of macro 'MAT3'
  648 |     MAT3( x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:647:5: note: in expansion of macro 'MAT3'
  647 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:646:5: note: in expansion of macro 'MAT3'
  646 |     MAT3(fc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:645:5: note: in expansion of macro 'MAT3'
  645 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_cc' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:645:5: note: in expansion of macro 'MAT3'
  645 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_cc' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:645:5: note: in expansion of macro 'MAT3'
  645 |     MAT3(cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:644:5: note: in expansion of macro 'MAT3'
  644 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:643:5: note: in expansion of macro 'MAT3'
  643 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:642:5: note: in expansion of macro 'MAT3'
  642 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vnmresid27':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:681:5: note: in expansion of macro 'MAT2'
  681 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vnmresid27_1s':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_w1' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:727:5: note: in expansion of macro 'MAT3'
  727 |     MAT3( w1, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_r' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:726:5: note: in expansion of macro 'MAT3'
  726 |     MAT3(  r, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:725:5: note: in expansion of macro 'MAT3'
  725 |     MAT3(  x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:724:5: note: in expansion of macro 'MAT3'
  724 |     MAT3(uSW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:723:5: note: in expansion of macro 'MAT3'
  723 |     MAT3(uSE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:722:5: note: in expansion of macro 'MAT3'
  722 |     MAT3(uNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:721:5: note: in expansion of macro 'MAT3'
  721 |     MAT3(uNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:720:5: note: in expansion of macro 'MAT3'
  720 |     MAT3( uS, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:719:5: note: in expansion of macro 'MAT3'
  719 |     MAT3( uN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:718:5: note: in expansion of macro 'MAT3'
  718 |     MAT3( uW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:717:5: note: in expansion of macro 'MAT3'
  717 |     MAT3( uE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:716:5: note: in expansion of macro 'MAT3'
  716 |     MAT3(oNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:715:5: note: in expansion of macro 'MAT3'
  715 |     MAT3(oNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:714:5: note: in expansion of macro 'MAT3'
  714 |     MAT3( uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:713:5: note: in expansion of macro 'MAT3'
  713 |     MAT3( oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:712:5: note: in expansion of macro 'MAT3'
  712 |     MAT3( oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:711:5: note: in expansion of macro 'MAT3'
  711 |     MAT3( fc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:710:5: note: in expansion of macro 'MAT3'
  710 |     MAT3( cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_cc' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:710:5: note: in expansion of macro 'MAT3'
  710 |     MAT3( cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_cc' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:710:5: note: in expansion of macro 'MAT3'
  710 |     MAT3( cc, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:709:5: note: in expansion of macro 'MAT3'
  709 |     MAT3( oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vrestrc':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_pc' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:786:5: note: in expansion of macro 'MAT2'
  786 |     MAT2(pc, *nxc * *nyc * *nzc, 1 );
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vrestrc2':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:852:5: note: in expansion of macro 'MAT3'
  852 |     MAT3(dPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:851:5: note: in expansion of macro 'MAT3'
  851 |     MAT3(dPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:850:5: note: in expansion of macro 'MAT3'
  850 |     MAT3(dPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:849:5: note: in expansion of macro 'MAT3'
  849 |     MAT3(dPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:847:5: note: in expansion of macro 'MAT3'
  847 |     MAT3(dPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:846:5: note: in expansion of macro 'MAT3'
  846 |     MAT3(dPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:845:5: note: in expansion of macro 'MAT3'
  845 |     MAT3(dPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:844:5: note: in expansion of macro 'MAT3'
  844 |     MAT3(dPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:843:5: note: in expansion of macro 'MAT3'
  843 |     MAT3(dPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:841:5: note: in expansion of macro 'MAT3'
  841 |     MAT3(uPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:840:5: note: in expansion of macro 'MAT3'
  840 |     MAT3(uPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:839:5: note: in expansion of macro 'MAT3'
  839 |     MAT3(uPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:838:5: note: in expansion of macro 'MAT3'
  838 |     MAT3(uPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:836:5: note: in expansion of macro 'MAT3'
  836 |     MAT3(uPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:835:5: note: in expansion of macro 'MAT3'
  835 |     MAT3(uPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:834:5: note: in expansion of macro 'MAT3'
  834 |     MAT3(uPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:833:5: note: in expansion of macro 'MAT3'
  833 |     MAT3(uPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:832:5: note: in expansion of macro 'MAT3'
  832 |     MAT3(uPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:830:5: note: in expansion of macro 'MAT3'
  830 |     MAT3(oPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:829:5: note: in expansion of macro 'MAT3'
  829 |     MAT3(oPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:828:5: note: in expansion of macro 'MAT3'
  828 |     MAT3(oPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:827:5: note: in expansion of macro 'MAT3'
  827 |     MAT3(oPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:825:5: note: in expansion of macro 'MAT3'
  825 |     MAT3(oPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:824:5: note: in expansion of macro 'MAT3'
  824 |     MAT3(oPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:823:5: note: in expansion of macro 'MAT3'
  823 |     MAT3(oPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:822:5: note: in expansion of macro 'MAT3'
  822 |     MAT3(oPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:821:5: note: in expansion of macro 'MAT3'
  821 |     MAT3(oPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_xout' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:819:5: note: in expansion of macro 'MAT3'
  819 |     MAT3(xout, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_xin' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:818:5: note: in expansion of macro 'MAT3'
  818 |     MAT3(xin, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:816:12: warning: variable 'dimfac' set but not used [-Wunused-but-set-variable]
  816 |     double dimfac;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'VinterpPMG':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_pc' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:920:5: note: in expansion of macro 'MAT2'
  920 |     MAT2(pc, *nxc * *nyc * *nzc, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'VinterpPMG2':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:982:5: note: in expansion of macro 'MAT3'
  982 |     MAT3(dPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:981:5: note: in expansion of macro 'MAT3'
  981 |     MAT3(dPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:980:5: note: in expansion of macro 'MAT3'
  980 |     MAT3(dPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:979:5: note: in expansion of macro 'MAT3'
  979 |     MAT3(dPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:977:5: note: in expansion of macro 'MAT3'
  977 |     MAT3( dPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:976:5: note: in expansion of macro 'MAT3'
  976 |     MAT3( dPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:975:5: note: in expansion of macro 'MAT3'
  975 |     MAT3( dPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:974:5: note: in expansion of macro 'MAT3'
  974 |     MAT3( dPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_dPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:973:5: note: in expansion of macro 'MAT3'
  973 |     MAT3( dPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:971:5: note: in expansion of macro 'MAT3'
  971 |     MAT3(uPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:970:5: note: in expansion of macro 'MAT3'
  970 |     MAT3(uPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:969:5: note: in expansion of macro 'MAT3'
  969 |     MAT3(uPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:968:5: note: in expansion of macro 'MAT3'
  968 |     MAT3(uPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:966:5: note: in expansion of macro 'MAT3'
  966 |     MAT3( uPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:965:5: note: in expansion of macro 'MAT3'
  965 |     MAT3( uPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:964:5: note: in expansion of macro 'MAT3'
  964 |     MAT3( uPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:963:5: note: in expansion of macro 'MAT3'
  963 |     MAT3( uPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:962:5: note: in expansion of macro 'MAT3'
  962 |     MAT3( uPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:960:5: note: in expansion of macro 'MAT3'
  960 |     MAT3(oPSW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:959:5: note: in expansion of macro 'MAT3'
  959 |     MAT3(oPSE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:958:5: note: in expansion of macro 'MAT3'
  958 |     MAT3(oPNW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:957:5: note: in expansion of macro 'MAT3'
  957 |     MAT3(oPNE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:955:5: note: in expansion of macro 'MAT3'
  955 |     MAT3( oPW, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:954:5: note: in expansion of macro 'MAT3'
  954 |     MAT3( oPE, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:953:5: note: in expansion of macro 'MAT3'
  953 |     MAT3( oPS, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:952:5: note: in expansion of macro 'MAT3'
  952 |     MAT3( oPN, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oPC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:951:5: note: in expansion of macro 'MAT3'
  951 |     MAT3( oPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable 'dy_oPC' [-Wunused-variable]
   78 |     int dy_##mat = dy;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:951:5: note: in expansion of macro 'MAT3'
  951 |     MAT3( oPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable 'dx_oPC' [-Wunused-variable]
   77 |     int dx_##mat = dx;        \
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:951:5: note: in expansion of macro 'MAT3'
  951 |     MAT3( oPC, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_xout' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:949:5: note: in expansion of macro 'MAT3'
  949 |     MAT3(xout, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_xin' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:948:5: note: in expansion of macro 'MAT3'
  948 |     MAT3( xin, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function 'Vextrac':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_xout' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:1086:5: note: in expansion of macro 'MAT3'
 1086 |     MAT3(xout, *nxc, *nyc, *nzc);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_xin' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:1085:5: note: in expansion of macro 'MAT3'
 1085 |     MAT3( xin, *nxf, *nyf, *nzf);
      |     ^~~~
[ 35%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mgcsd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.h:58,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c: In function 'Vmvcs':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c:99:5: note: in expansion of macro 'MAT2'
   99 |     MAT2(iz, 50, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c:562:37: warning: 'rsden' may be used uninitialized [-Wmaybe-uninitialized]
  562 |     } while (*iters<*itmax && (rsnrm/rsden) > *errtol);
      |                               ~~~~~~^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c:88:12: note: 'rsden' was declared here
   88 |     double rsden;    // @todo: doc
      |            ^~~~~
[ 36%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mgdrvd.c.o
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c: In function 'Vmgdriv':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:85:9: warning: unused variable 'ierror' [-Wunused-variable]
   85 |     int ierror = 0;
      |         ^~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.h:62,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c: In function 'Vmgdriv2':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:267:5: note: in expansion of macro 'MAT2'
  267 |     MAT2(iz, 50, nlev);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:234:12: warning: unused variable 'tsolve' [-Wunused-variable]
  234 |     double tsolve  = 0.0;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:233:12: warning: unused variable 'tsetupc' [-Wunused-variable]
  233 |     double tsetupc = 0.0;
      |            ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:232:12: warning: unused variable 'tsetupf' [-Wunused-variable]
  232 |     double tsetupf = 0.0;
      |            ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:231:12: warning: unused variable 'oh' [-Wunused-variable]
  231 |     double oh      = 0.0;
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:230:12: warning: unused variable 'bf' [-Wunused-variable]
  230 |     double bf      = 0.0;
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:226:12: warning: unused variable 'epsmac' [-Wunused-variable]
  226 |     double epsmac  = 0.0;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c: In function 'Vmgsz':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:655:26: warning: 'num_narrc_oper' may be used uninitialized [-Wmaybe-uninitialized]
  655 |             + (num_narrc + num_narrc_oper) * *narrc
      |               ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:580:22: note: 'num_narrc_oper' was declared here
  580 |     int num_nf_oper, num_narrc_oper;
      |                      ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:656:13: warning: 'n_band' may be used uninitialized [-Wmaybe-uninitialized]
  653 |     *iretot = num_narr * *narr
      |               ~~~~~~~~~~~~~~~~
  654 |             + (num_nf    + num_nf_oper) * *nf
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  655 |             + (num_narrc + num_narrc_oper) * *narrc
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  656 |             + n_band
      |             ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:577:28: note: 'n_band' was declared here
  577 |     int nc_band, num_band, n_band;
      |                            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:654:41: warning: 'num_nf_oper' may be used uninitialized [-Wmaybe-uninitialized]
  654 |             + (num_nf    + num_nf_oper) * *nf
      |               ~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:580:9: note: 'num_nf_oper' was declared here
  580 |     int num_nf_oper, num_narrc_oper;
      |         ^~~~~~~~~~~
[ 37%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mgsubd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.h:58,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c: In function 'Vbuildops':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:83:5: note: in expansion of macro 'MAT2'
   83 |     MAT2(iz, 50, *nlev);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c: In function 'Vbuildstr':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:266:5: note: in expansion of macro 'MAT2'
  266 |     MAT2(iz, 50, *nlev);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c: In function 'Vbuildcopy0':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fcf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:628:5: note: in expansion of macro 'MAT3'
  628 |     MAT3( fcf, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_ccf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:627:5: note: in expansion of macro 'MAT3'
  627 |     MAT3( ccf, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_tcf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:626:5: note: in expansion of macro 'MAT3'
  626 |     MAT3( tcf, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_a3cf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:625:5: note: in expansion of macro 'MAT3'
  625 |     MAT3(a3cf, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_a2cf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:624:5: note: in expansion of macro 'MAT3'
  624 |     MAT3(a2cf, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_a1cf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:623:5: note: in expansion of macro 'MAT3'
  623 |     MAT3(a1cf, *nxf, *nyf, *nzf);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gzcf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:622:5: note: in expansion of macro 'MAT3'
  622 |     MAT3(gzcf, *nxf, *nyf,    4);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gycf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:621:5: note: in expansion of macro 'MAT3'
  621 |     MAT3(gycf, *nxf, *nzf,    4);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gxcf' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:620:5: note: in expansion of macro 'MAT3'
  620 |     MAT3(gxcf, *nyf, *nzf,    4);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_tc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:619:5: note: in expansion of macro 'MAT3'
  619 |     MAT3(  tc,  *nx,  *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_fc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:618:5: note: in expansion of macro 'MAT3'
  618 |     MAT3(  fc,  *nx,  *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_cc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:617:5: note: in expansion of macro 'MAT3'
  617 |     MAT3(  cc,  *nx,  *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_a3c' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:616:5: note: in expansion of macro 'MAT3'
  616 |     MAT3( a3c,  *nx,  *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_a2c' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:615:5: note: in expansion of macro 'MAT3'
  615 |     MAT3( a2c,  *nx,  *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_a1c' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:614:5: note: in expansion of macro 'MAT3'
  614 |     MAT3( a1c,  *nx,  *ny,  *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gzc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:613:5: note: in expansion of macro 'MAT3'
  613 |     MAT3( gzc,  *nx,  *ny,    4);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gyc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:612:5: note: in expansion of macro 'MAT3'
  612 |     MAT3( gyc,  *nx,  *nz,    4);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gxc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:611:5: note: in expansion of macro 'MAT3'
  611 |     MAT3( gxc,  *ny,  *nz,    4);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c: In function 'Vbuildalg':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:914:5: note: in expansion of macro 'MAT2'
  914 |     MAT2(iz, 50, *nlev);
      |     ^~~~
[ 39%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mikpckd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.h:58,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vxcopy':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_y' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:60:5: note: in expansion of macro 'MAT3'
   60 |     MAT3(y, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:59:5: note: in expansion of macro 'MAT3'
   59 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vxcopy_small':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_y' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:78:5: note: in expansion of macro 'MAT3'
   78 |     MAT3(y, *nx - 2, *ny - 2, *nz - 2);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:77:5: note: in expansion of macro 'MAT3'
   77 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vxcopy_large':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_y' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:99:5: note: in expansion of macro 'MAT3'
   99 |     MAT3(y, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:98:5: note: in expansion of macro 'MAT3'
   98 |     MAT3(x, *nx - 2, *ny - 2, *nz - 2);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vxaxpy':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_y' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:117:5: note: in expansion of macro 'MAT3'
  117 |     MAT3(y, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:116:5: note: in expansion of macro 'MAT3'
  116 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vxnrm1':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:136:5: note: in expansion of macro 'MAT3'
  136 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vxnrm2':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:157:5: note: in expansion of macro 'MAT3'
  157 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vxdot':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_y' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:182:5: note: in expansion of macro 'MAT3'
  182 |     MAT3(y, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:181:5: note: in expansion of macro 'MAT3'
  181 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vazeros':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:198:9: warning: unused variable 'nproc' [-Wunused-variable]
  198 |     int nproc = 1;
      |         ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'VfboundPMG':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gzc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:218:5: note: in expansion of macro 'MAT3'
  218 |     MAT3(gzc, *nx, *ny,   2);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gyc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:217:5: note: in expansion of macro 'MAT3'
  217 |     MAT3(gyc, *nx, *nz,   2);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_gxc' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:216:5: note: in expansion of macro 'MAT3'
  216 |     MAT3(gxc, *ny, *nz,   2);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:215:5: note: in expansion of macro 'MAT3'
  215 |     MAT3(  x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'VfboundPMG00':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:262:5: note: in expansion of macro 'MAT3'
  262 |     MAT3(  x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vaxrand':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:295:12: warning: variable 'xdum' set but not used [-Wunused-but-set-variable]
  295 |     double xdum;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:293:33: warning: variable 'iflag' set but not used [-Wunused-but-set-variable]
  293 |     int n, i, ii, ipara, ivect, iflag;
      |                                 ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:293:26: warning: variable 'ivect' set but not used [-Wunused-but-set-variable]
  293 |     int n, i, ii, ipara, ivect, iflag;
      |                          ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vxscal':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_x' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:322:5: note: in expansion of macro 'MAT3'
  322 |     MAT3(x, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vprtmatd':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_ac' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:337:5: note: in expansion of macro 'MAT2'
  337 |     MAT2(ac, *nx * *ny * *nz, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vprtmatd7':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:370:5: note: in expansion of macro 'MAT3'
  370 |     MAT3(uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:369:5: note: in expansion of macro 'MAT3'
  369 |     MAT3(oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:368:5: note: in expansion of macro 'MAT3'
  368 |     MAT3(oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:367:5: note: in expansion of macro 'MAT3'
  367 |     MAT3(oC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function 'Vprtmatd27':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:415:5: note: in expansion of macro 'MAT3'
  415 |     MAT3(uSW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uSE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:414:5: note: in expansion of macro 'MAT3'
  414 |     MAT3(uSE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:413:5: note: in expansion of macro 'MAT3'
  413 |     MAT3(uNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:412:5: note: in expansion of macro 'MAT3'
  412 |     MAT3(uNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uS' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:411:5: note: in expansion of macro 'MAT3'
  411 |     MAT3( uS, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:410:5: note: in expansion of macro 'MAT3'
  410 |     MAT3( uN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:409:5: note: in expansion of macro 'MAT3'
  409 |     MAT3( uW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:408:5: note: in expansion of macro 'MAT3'
  408 |     MAT3( uE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNW' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:407:5: note: in expansion of macro 'MAT3'
  407 |     MAT3(oNW, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oNE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:406:5: note: in expansion of macro 'MAT3'
  406 |     MAT3(oNE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_uC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:405:5: note: in expansion of macro 'MAT3'
  405 |     MAT3( uC, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oN' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:404:5: note: in expansion of macro 'MAT3'
  404 |     MAT3( oN, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oE' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:403:5: note: in expansion of macro 'MAT3'
  403 |     MAT3( oE, *nx, *ny, *nz);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_oC' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:402:5: note: in expansion of macro 'MAT3'
  402 |     MAT3( oC, *nx, *ny, *nz);
      |     ^~~~
[ 40%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mlinpckd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.h:57,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c: In function 'Vdpbsl':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_abd' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c:62:5: note: in expansion of macro 'MAT2'
   62 |     MAT2(abd, *lda, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c: In function 'Vdpbfa':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_abd' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c:199:5: note: in expansion of macro 'MAT2'
  199 |     MAT2(abd, *lda, 1);
      |     ^~~~
[ 41%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mypdec.c.o
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function 'Vmypdefinitsmpbe':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:96:9: warning: unused variable 'i' [-Wunused-variable]
   96 |     int i;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function 'Vc_vecsmpbe':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:223:26: warning: variable 'ivect' set but not used [-Wunused-but-set-variable]
  223 |     int n, i, ii, ipara, ivect;
      |                          ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:223:19: warning: variable 'ipara' set but not used [-Wunused-but-set-variable]
  223 |     int n, i, ii, ipara, ivect;
      |                   ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:223:15: warning: unused variable 'ii' [-Wunused-variable]
  223 |     int n, i, ii, ipara, ivect;
      |               ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:222:9: warning: unused variable 'iion' [-Wunused-variable]
  222 |     int iion;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:219:28: warning: unused variable 'fact' [-Wunused-variable]
  219 |     double argument, poly, fact;
      |                            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:219:22: warning: unused variable 'poly' [-Wunused-variable]
  219 |     double argument, poly, fact;
      |                      ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:219:12: warning: unused variable 'argument' [-Wunused-variable]
  219 |     double argument, poly, fact;
      |            ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:218:29: warning: unused variable 'am_pos' [-Wunused-variable]
  218 |     double am_zero, am_neg, am_pos;
      |                             ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:218:21: warning: unused variable 'am_neg' [-Wunused-variable]
  218 |     double am_zero, am_neg, am_pos;
      |                     ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:217:18: warning: unused variable 'zu2' [-Wunused-variable]
  217 |     double zcf2, zu2;
      |                  ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:217:12: warning: unused variable 'zcf2' [-Wunused-variable]
  217 |     double zcf2, zu2;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:216:9: warning: unused variable 'ideg' [-Wunused-variable]
  216 |     int ideg;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function 'Vdc_vec':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:345:9: warning: unused variable 'n' [-Wunused-variable]
  345 |     int n = *nx * *ny * *nz;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:344:9: warning: unused variable 'i' [-Wunused-variable]
  344 |     int i;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function 'Vdc_vecpmg':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:360:28: warning: unused variable 'fact' [-Wunused-variable]
  360 |     double argument, poly, fact;
      |                            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:360:22: warning: unused variable 'poly' [-Wunused-variable]
  360 |     double argument, poly, fact;
      |                      ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:357:9: warning: unused variable 'ideg' [-Wunused-variable]
  357 |     int ideg, iion;
      |         ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function 'Vdc_vecsmpbe':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:433:16: warning: variable 'ivect' set but not used [-Wunused-but-set-variable]
  433 |     int ipara, ivect;
      |                ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:433:9: warning: variable 'ipara' set but not used [-Wunused-but-set-variable]
  433 |     int ipara, ivect;
      |         ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:432:15: warning: unused variable 'ii' [-Wunused-variable]
  432 |     int n, i, ii;
      |               ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:429:28: warning: unused variable 'fact' [-Wunused-variable]
  429 |     double argument, poly, fact;
      |                            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:429:22: warning: unused variable 'poly' [-Wunused-variable]
  429 |     double argument, poly, fact;
      |                      ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:429:12: warning: unused variable 'argument' [-Wunused-variable]
  429 |     double argument, poly, fact;
      |            ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:428:29: warning: unused variable 'am_pos' [-Wunused-variable]
  428 |     double am_zero, am_neg, am_pos;
      |                             ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:428:21: warning: unused variable 'am_neg' [-Wunused-variable]
  428 |     double am_zero, am_neg, am_pos;
      |                     ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:427:18: warning: unused variable 'zu2' [-Wunused-variable]
  427 |     double zcf2, zu2;
      |                  ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:427:12: warning: unused variable 'zcf2' [-Wunused-variable]
  427 |     double zcf2, zu2;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:426:15: warning: unused variable 'iion' [-Wunused-variable]
  426 |     int ideg, iion;
      |               ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:426:9: warning: unused variable 'ideg' [-Wunused-variable]
  426 |     int ideg, iion;
      |         ^~~~
[ 42%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/newtond.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.h:57,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c:56:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c: In function 'Vfnewton':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c:77:5: note: in expansion of macro 'MAT2'
   77 |     MAT2( iz, 50, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c: In function 'Vnewton':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c:187:5: note: in expansion of macro 'MAT2'
  187 |     MAT2(iz, 50, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c: In function 'Vgetjac':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c:560:5: note: in expansion of macro 'MAT2'
  560 |     MAT2(iz, 50, 1);
      |     ^~~~
[ 43%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/newdrvd.c.o
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c: In function 'Vnewdriv':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:86:9: warning: unused variable 'maxlev' [-Wunused-variable]
   86 |     int maxlev; /// @todo: Doc
      |         ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:85:9: warning: unused variable 'ierror' [-Wunused-variable]
   85 |     int ierror; /// @todo: Doc
      |         ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c: In function 'Vnewdriv2':
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:223:9: warning: unused variable 'i' [-Wunused-variable]
  223 |     int i;
      |         ^
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:221:12: warning: unused variable 'orsnrm_t' [-Wunused-variable]
  221 |     double orsnrm_t;
      |            ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:220:12: warning: unused variable 'rsden_t' [-Wunused-variable]
  220 |     double rsden_t;
      |            ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:219:12: warning: unused variable 'rsnrm_t' [-Wunused-variable]
  219 |     double rsnrm_t;
      |            ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:218:9: warning: unused variable 'iters_t' [-Wunused-variable]
  218 |     int iters_t;
      |         ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:217:9: warning: unused variable 'iok_t' [-Wunused-variable]
  217 |     int iok_t;
      |         ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:215:9: warning: unused variable 'numlev' [-Wunused-variable]
  215 |     int numlev;
      |         ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:210:12: warning: unused variable 'tsolve' [-Wunused-variable]
  210 |     double tsolve;  /// @todo:  Doc
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:209:12: warning: unused variable 'tsetupc' [-Wunused-variable]
  209 |     double tsetupc; /// @todo:  Doc
      |            ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:208:12: warning: unused variable 'tsetupf' [-Wunused-variable]
  208 |     double tsetupf; /// @todo:  Doc
      |            ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:207:12: warning: unused variable 'oh' [-Wunused-variable]
  207 |     double oh;      /// @todo:  Doc
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:206:12: warning: unused variable 'bf' [-Wunused-variable]
  206 |     double bf;      /// @todo:  Doc
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:204:12: warning: variable 'omegal' set but not used [-Wunused-but-set-variable]
  204 |     double omegal;  /// @todo:  Doc
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:202:12: warning: unused variable 'epsmac' [-Wunused-variable]
  202 |     double epsmac;  /// @todo:  Doc
      |            ^~~~~~
[ 44%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/powerd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.h:57,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c: In function 'Vpower':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:74:5: note: in expansion of macro 'MAT2'
   74 |     MAT2(iz, 50, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:71:9: warning: unused variable 'skipIters' [-Wunused-variable]
   71 |     int skipIters = 0;
      |         ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c: In function 'Vipower':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:188:5: note: in expansion of macro 'MAT2'
  188 |     MAT2(iz, 50, 1);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c: In function 'Vmpower':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:311:5: note: in expansion of macro 'MAT2'
  311 |     MAT2(iz, 50, 1);
      |     ^~~~
[ 45%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/smoothd.c.o
[ 47%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mgfasd.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.h:57,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.h:57,
                 from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:55:
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c: In function 'Vfmvfas':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:79:5: note: in expansion of macro 'MAT2'
   79 |     MAT2(iz, 50, *nlev);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:74:12: warning: variable 'errd' set but not used [-Wunused-but-set-variable]
   74 |     double errd;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c: In function 'Vmvfas':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable 'dy_iz' [-Wunused-variable]
   66 |     int dy_##mat = dy
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:182:5: note: in expansion of macro 'MAT2'
  182 |     MAT2(iz, 50, *nlev);
      |     ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:171:33: warning: unused variable 'ivariv' [-Wunused-variable]
  171 |     int itmax_s, iters_s, nuuu, ivariv, mgsmoo_s, iresid;
      |                                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:597:24: warning: 'rsden' may be used uninitialized [-Wmaybe-uninitialized]
  597 |             if ((rsnrm / rsden) <= *errtol)
      |                 ~~~~~~~^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:176:12: note: 'rsden' was declared here
  176 |     double rsden, rsnrm, orsnrm;
      |            ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 47%] Built target apbs_pmgc
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 48%] Linking C shared library ../lib/libapbs.so
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 48%] Built target apbs
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 49%] Building C object src/CMakeFiles/apbs_routines.dir/routines.c.o
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'loadDielMaps':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:296:17: warning: this 'for' clause does not guard... [-Wmisleading-indentation]
  296 |                 for (ii=0; ii<(nx*ny*nz); ii++)
      |                 ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:298:21: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for'
  298 |                     sum = sum*hx*hy*hzed;
      |                     ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:331:9: warning: this 'for' clause does not guard... [-Wmisleading-indentation]
  331 |         for (ii=0; ii<(nx*ny*nz); ii++)
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:333:11: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for'
  333 |           sum = sum*hx*hy*hzed;
      |           ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:420:17: warning: this 'for' clause does not guard... [-Wmisleading-indentation]
  420 |                 for (ii=0; ii<(nx*ny*nz); ii++)
      |                 ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:422:21: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for'
  422 |                     sum = sum*hx*hy*hzed;
      |                     ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:454:9: warning: this 'for' clause does not guard... [-Wmisleading-indentation]
  454 |         for (ii=0; ii<(nx*ny*nz); ii++)
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:456:11: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for'
  456 |           sum = sum*hx*hy*hzed;
      |           ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1234:12: warning: variable 'iparm' set but not used [-Wunused-but-set-variable]
 1234 |            iparm,
      |            ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'energyMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1584:13: warning: variable 'mgparm' set but not used [-Wunused-but-set-variable]
 1584 |     MGparm *mgparm;
      |             ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writematMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1803:10: warning: variable 'mxtype' set but not used [-Wunused-but-set-variable]
 1803 |     char mxtype[3];
      |          ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'printApolForce':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:3485:12: warning: variable 'scalar' set but not used [-Wunused-but-set-variable]
 3485 |            scalar,
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:3484:12: warning: variable 'temp' set but not used [-Wunused-but-set-variable]
 3484 |     double temp,
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4496:12: warning: variable 'sav' set but not used [-Wunused-but-set-variable]
 4496 |            sav,         /**< @todo document */
      |            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4495:12: warning: variable 'sasa' set but not used [-Wunused-but-set-variable]
 4495 |     double sasa,        /**< @todo document */
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4489:12: warning: unused variable 'ts' [-Wunused-variable]
 4489 |     time_t ts;      /**< Temporary timing variable for debugging (PCE) */
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'forceAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4753:13: warning: unused variable 'apos' [-Wunused-variable]
 4753 |            *apos;
      |             ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4737:46: warning: unused variable 'ts_sub' [-Wunused-variable]
 4737 |                          time_t ts, ts_main, ts_sub;
      |                                              ^~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/src/routines.h:64,
                 from /builddir/build/BUILD/apbs-3.0.0/src/routines.c:54:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.h:73,
                 from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:73:
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writematMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1826:34: warning: '-PE' directive writing 3 bytes into a region of size between 1 and 1024 [-Wformat-overflow=]
 1826 |         sprintf(writematstem, "%s-PE%d", pbeparm->writematstem,nosh->proc_rank);
      |                                  ^~~
In file included from /usr/include/stdio.h:894,
                 from /usr/include/maloc/maloc_base.h:80,
                 from /usr/include/maloc/maloc.h:38,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:67:
In function 'sprintf',
    inlined from 'writematMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1826:9:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1038 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writematMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1840:30: warning: '%s' directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 1840 |         sprintf(outpath, "%s.%s", writematstem, "mat");
      |                              ^~                 ~~~~~
In function 'sprintf',
    inlined from 'writematMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1840:9:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1028 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataFlat':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2105:33: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2105 |             ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1906:44: note: 'scalar' was declared here
 1906 |     double conversion, ltenergy, gtenergy, scalar;
      |                                            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataXML':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2363:33: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2363 |             ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2140:44: note: 'scalar' was declared here
 2140 |     double conversion, ltenergy, gtenergy, scalar;
      |                                            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2676:30: warning: '%s' directive writing 5 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2676 |         sprintf(outpath, "%s.%s", writestem, "dxbin");
      |                              ^~              ~~~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2676:9:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 7 and 1030 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2720:38: warning: '%s' directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2720 |                 sprintf(outpath, "%s.%s", writestem, "txt");
      |                                      ^~              ~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2720:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1028 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2711:38: warning: '%s' directive writing 5 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2711 |                 sprintf(outpath, "%s.%s", writestem, "dx.gz");
      |                                      ^~              ~~~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2711:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 7 and 1030 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2694:38: warning: '%s' directive writing 4 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2694 |                 sprintf(outpath, "%s.%s", writestem, "mcsf");
      |                                      ^~              ~~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2694:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 6 and 1029 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2687:38: warning: '%s' directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2687 |                 sprintf(outpath, "%s.%s", writestem, "ucd");
      |                                      ^~              ~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2687:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1028 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2701:38: warning: '%s' directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2701 |                 sprintf(outpath, "%s.%s", writestem, "grd");
      |                                      ^~              ~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2701:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1028 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2666:38: warning: '%s' directive writing 2 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2666 |                 sprintf(outpath, "%s.%s", writestem, "dx");
      |                                      ^~              ~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2666:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 4 and 1027 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'returnEnergy':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2778:29: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2778 |         ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2762:12: note: 'scalar' was declared here
 2762 |            scalar;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'printEnergy':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2839:29: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2839 |         ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2795:12: note: 'scalar' was declared here
 2795 |            scalar;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'printElecEnergy':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2904:29: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2904 |         ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2863:12: note: 'scalar' was declared here
 2863 |            scalar;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'printApolEnergy':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2970:29: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2970 |         gtenergy += (scalar * ((apolparm->gamma*apolparm->sasa) +
      |                     ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 2971 |                                (apolparm->press*apolparm->sav) +
      |                                ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 2972 |                                (apolparm->wcaEnergy)));
      |                                ~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2925:12: note: 'scalar' was declared here
 2925 |            scalar;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4547:30: warning: 'center' may be used uninitialized [-Wmaybe-uninitialized]
 4547 |         disp[0] = (x - center[0]);
      |                        ~~~~~~^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4516:12: note: 'center' declared here
 4516 |            center[3],   /**< @todo document */
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4548:30: warning: 'center' may be used uninitialized [-Wmaybe-uninitialized]
 4548 |         disp[1] = (y - center[1]);
      |                        ~~~~~~^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4516:12: note: 'center' declared here
 4516 |            center[3],   /**< @todo document */
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4549:30: warning: 'center' may be used uninitialized [-Wmaybe-uninitialized]
 4549 |         disp[2] = (z - center[2]);
      |                        ~~~~~~^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4516:12: note: 'center' declared here
 4516 |            center[3],   /**< @todo document */
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 49%] Built target apbs_routines
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 50%] Building C object src/CMakeFiles/apbs-bin.dir/main.c.o
/builddir/build/BUILD/apbs-3.0.0/src/main.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/src/main.c:117:11: warning: unused variable 'gm' [-Wunused-variable]
  117 |     void *gm[NOSH_MAXMOL];
      |           ^~
/builddir/build/BUILD/apbs-3.0.0/src/main.c:116:11: warning: variable 'fetk' set but not used [-Wunused-but-set-variable]
  116 |     void *fetk[NOSH_MAXCALC];
      |           ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/main.c:96:18: warning: unused variable 'geoflowparm' [-Wunused-variable]
   96 |     GEOFLOWparm *geoflowparm = VNULL;
      |                  ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/main.c:92:14: warning: unused variable 'feparm' [-Wunused-variable]
   92 |     FEMparm *feparm = VNULL;
      |              ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/main.c:86:17: warning: unused variable 'te' [-Wunused-variable]
   86 |     clock_t ts, te;
      |                 ^~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/src/routines.h:64,
                 from /builddir/build/BUILD/apbs-3.0.0/src/main.c:70:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 51%] Building C object src/CMakeFiles/apbs-bin.dir/routines.c.o
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'loadDielMaps':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:296:17: warning: this 'for' clause does not guard... [-Wmisleading-indentation]
  296 |                 for (ii=0; ii<(nx*ny*nz); ii++)
      |                 ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:298:21: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for'
  298 |                     sum = sum*hx*hy*hzed;
      |                     ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:331:9: warning: this 'for' clause does not guard... [-Wmisleading-indentation]
  331 |         for (ii=0; ii<(nx*ny*nz); ii++)
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:333:11: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for'
  333 |           sum = sum*hx*hy*hzed;
      |           ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:420:17: warning: this 'for' clause does not guard... [-Wmisleading-indentation]
  420 |                 for (ii=0; ii<(nx*ny*nz); ii++)
      |                 ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:422:21: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for'
  422 |                     sum = sum*hx*hy*hzed;
      |                     ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:454:9: warning: this 'for' clause does not guard... [-Wmisleading-indentation]
  454 |         for (ii=0; ii<(nx*ny*nz); ii++)
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:456:11: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for'
  456 |           sum = sum*hx*hy*hzed;
      |           ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1234:12: warning: variable 'iparm' set but not used [-Wunused-but-set-variable]
 1234 |            iparm,
      |            ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'energyMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1584:13: warning: variable 'mgparm' set but not used [-Wunused-but-set-variable]
 1584 |     MGparm *mgparm;
      |             ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writematMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1803:10: warning: variable 'mxtype' set but not used [-Wunused-but-set-variable]
 1803 |     char mxtype[3];
      |          ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'printApolForce':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:3485:12: warning: variable 'scalar' set but not used [-Wunused-but-set-variable]
 3485 |            scalar,
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:3484:12: warning: variable 'temp' set but not used [-Wunused-but-set-variable]
 3484 |     double temp,
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4496:12: warning: variable 'sav' set but not used [-Wunused-but-set-variable]
 4496 |            sav,         /**< @todo document */
      |            ^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4495:12: warning: variable 'sasa' set but not used [-Wunused-but-set-variable]
 4495 |     double sasa,        /**< @todo document */
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4489:12: warning: unused variable 'ts' [-Wunused-variable]
 4489 |     time_t ts;      /**< Temporary timing variable for debugging (PCE) */
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'forceAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4753:13: warning: unused variable 'apos' [-Wunused-variable]
 4753 |            *apos;
      |             ^~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4737:46: warning: unused variable 'ts_sub' [-Wunused-variable]
 4737 |                          time_t ts, ts_main, ts_sub;
      |                                              ^~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/src/routines.h:64,
                 from /builddir/build/BUILD/apbs-3.0.0/src/routines.c:54:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.h:73,
                 from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:73:
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writematMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1826:34: warning: '-PE' directive writing 3 bytes into a region of size between 1 and 1024 [-Wformat-overflow=]
 1826 |         sprintf(writematstem, "%s-PE%d", pbeparm->writematstem,nosh->proc_rank);
      |                                  ^~~
In file included from /usr/include/stdio.h:894,
                 from /usr/include/maloc/maloc_base.h:80,
                 from /usr/include/maloc/maloc.h:38,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:67:
In function 'sprintf',
    inlined from 'writematMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1826:9:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1038 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writematMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1840:30: warning: '%s' directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 1840 |         sprintf(outpath, "%s.%s", writematstem, "mat");
      |                              ^~                 ~~~~~
In function 'sprintf',
    inlined from 'writematMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1840:9:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1028 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataFlat':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2105:33: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2105 |             ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:1906:44: note: 'scalar' was declared here
 1906 |     double conversion, ltenergy, gtenergy, scalar;
      |                                            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataXML':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2363:33: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2363 |             ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2140:44: note: 'scalar' was declared here
 2140 |     double conversion, ltenergy, gtenergy, scalar;
      |                                            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2676:30: warning: '%s' directive writing 5 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2676 |         sprintf(outpath, "%s.%s", writestem, "dxbin");
      |                              ^~              ~~~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2676:9:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 7 and 1030 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2720:38: warning: '%s' directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2720 |                 sprintf(outpath, "%s.%s", writestem, "txt");
      |                                      ^~              ~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2720:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1028 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2711:38: warning: '%s' directive writing 5 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2711 |                 sprintf(outpath, "%s.%s", writestem, "dx.gz");
      |                                      ^~              ~~~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2711:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 7 and 1030 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2694:38: warning: '%s' directive writing 4 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2694 |                 sprintf(outpath, "%s.%s", writestem, "mcsf");
      |                                      ^~              ~~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2694:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 6 and 1029 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2687:38: warning: '%s' directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2687 |                 sprintf(outpath, "%s.%s", writestem, "ucd");
      |                                      ^~              ~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2687:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1028 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2701:38: warning: '%s' directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2701 |                 sprintf(outpath, "%s.%s", writestem, "grd");
      |                                      ^~              ~~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2701:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 5 and 1028 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'writedataMG':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2666:38: warning: '%s' directive writing 2 bytes into a region of size between 0 and 1023 [-Wformat-overflow=]
 2666 |                 sprintf(outpath, "%s.%s", writestem, "dx");
      |                                      ^~              ~~~~
In function 'sprintf',
    inlined from 'writedataMG' at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2666:17:
/usr/include/bits/stdio2.h:38:10: note: '__sprintf_chk' output between 4 and 1027 bytes into a destination of size 1024
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'returnEnergy':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2778:29: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2778 |         ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2762:12: note: 'scalar' was declared here
 2762 |            scalar;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'printEnergy':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2839:29: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2839 |         ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2795:12: note: 'scalar' was declared here
 2795 |            scalar;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'printElecEnergy':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2904:29: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2904 |         ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2863:12: note: 'scalar' was declared here
 2863 |            scalar;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'printApolEnergy':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2970:29: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 2970 |         gtenergy += (scalar * ((apolparm->gamma*apolparm->sasa) +
      |                     ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 2971 |                                (apolparm->press*apolparm->sav) +
      |                                ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 2972 |                                (apolparm->wcaEnergy)));
      |                                ~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:2925:12: note: 'scalar' was declared here
 2925 |            scalar;
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4547:30: warning: 'center' may be used uninitialized [-Wmaybe-uninitialized]
 4547 |         disp[0] = (x - center[0]);
      |                        ~~~~~~^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4516:12: note: 'center' declared here
 4516 |            center[3],   /**< @todo document */
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4548:30: warning: 'center' may be used uninitialized [-Wmaybe-uninitialized]
 4548 |         disp[1] = (y - center[1]);
      |                        ~~~~~~^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4516:12: note: 'center' declared here
 4516 |            center[3],   /**< @todo document */
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4549:30: warning: 'center' may be used uninitialized [-Wmaybe-uninitialized]
 4549 |         disp[2] = (z - center[2]);
      |                        ~~~~~~^~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4516:12: note: 'center' declared here
 4516 |            center[3],   /**< @todo document */
      |            ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^~~~~~~~~~~~~~~~~~
[ 52%] Linking C executable ../bin/apbs
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function 'Vparam_getAtomData'
  304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                           ^
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mktexfmt [INFO]: log file copied to: /builddir/.texlive2021/texmf-var/web2c/pdftex/latex.log
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dec.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c...
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Preprocessing /builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/mainpage.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/mainpage.h...
Building macro definition list...
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Determining the scope of groups...
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Determining which enums are documented
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Building full member lists recursively...
Adding members to member groups.
Computing member references...
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Generating disk names...
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Setting anonymous enum type...
Computing dependencies between directories...
Generating citations page...
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Finding anchors and sections in the documentation...
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Generating example documentation...
Generating file sources...
Generating code for file doc/programmer/mainpage.h...
Generating code for file src/apbs.h...
Generating code for file src/fem/vcsm.c...
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Generating code for file src/fem/vfetk.c...
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Generating code for file src/generic/vpbe.h...
Generating code for file /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:2095: warning: Member polyEval(int numP, double p[], double c[][VMAXP], double xv[]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1528: warning: Member Vfetk_PDE_initElement(PDE *thee, int elementType, int chart, double tvx[][3], void *data) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1571: warning: Member Vfetk_PDE_initPoint(PDE *thee, int pointType, int chart, double txq[], double tU[], double tdU[][3]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1741: warning: Member Vfetk_PDE_DFu_wv(PDE *thee, int key, double W[], double dW[][VAPBS_DIM], double V[], double dV[][3]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1902: warning: Member Vfetk_PDE_bisectEdge(int dim, int dimII, int edgeType, int chart[], double vx[][3]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1912: warning: Member Vfetk_PDE_mapBoundary(int dim, int dimII, int vertexType, int chart, double vx[3]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1917: warning: Member Vfetk_PDE_markSimplex(int dim, int dimII, int simplexType, int faceType[VAPBS_NVS], int vertexType[VAPBS_NVS], int chart[], double vx[][3], void *simplex) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1998: warning: Member Vfetk_PDE_oneChart(int dim, int dimII, int objType, int chart[], double vx[][3], int dimV) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:86: warning: Member var (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:93: warning: Member diriCubeString (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:130: warning: Member neumCubeString (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:366: warning: Member dim_2DP1 (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:386: warning: Member lgr_2DP1[3][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:395: warning: Member lgr_2DP1x[3][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:402: warning: Member lgr_2DP1y[3][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:409: warning: Member lgr_2DP1z[3][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:437: warning: Member dim_3DP1 (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:438: warning: Member lgr_3DP1[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:446: warning: Member lgr_3DP1x[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:454: warning: Member lgr_3DP1y[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:462: warning: Member lgr_3DP1z[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:476: warning: Member P_DEG (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:482: warning: Member numP (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:483: warning: Member c[VMAXP][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:484: warning: Member cx[VMAXP][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:485: warning: Member cy[VMAXP][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:486: warning: Member cz[VMAXP][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:498: warning: Member Vpee_userDefined(Vpee *thee, SS *sm) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:532: warning: Member Vpee_ourSimp(Vpee *thee, SS *sm, int rcol) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:66: warning: Member Aprx_estNonlinResid(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:72: warning: Member Aprx_estLocalProblem(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:77: warning: Member Aprx_estDualProblem(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:237: warning: Member APOLparm_parseGRID(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:268: warning: Member APOLparm_parseMOL(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:287: warning: Member APOLparm_parseSRFM(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:309: warning: Member APOLparm_parseSRAD(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:328: warning: Member APOLparm_parseSWIN(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:347: warning: Member APOLparm_parseTEMP(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:366: warning: Member APOLparm_parseGAMMA(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:385: warning: Member APOLparm_parseCALCENERGY(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:438: warning: Member APOLparm_parseCALCFORCE(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:491: warning: Member APOLparm_parseBCONC(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:510: warning: Member APOLparm_parseSDENS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:529: warning: Member APOLparm_parseDPOS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:558: warning: Member APOLparm_parsePRESS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:210: warning: Member BEMparm_parseTREE_ORDER(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:233: warning: Member BEMparm_parseTREE_N0(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:256: warning: Member BEMparm_parseMAC(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:279: warning: Member BEMparm_parseMESH(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:308: warning: Member BEMparm_parseOUTDATA(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:196: warning: Member FEMparm_parseDOMAINLENGTH(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:221: warning: Member FEMparm_parseETOL(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:244: warning: Member FEMparm_parseEKEY(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:276: warning: Member FEMparm_parseAKEYPRE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:303: warning: Member FEMparm_parseAKEYSOLVE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:333: warning: Member FEMparm_parseTARGETNUM(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:352: warning: Member FEMparm_parseTARGETRES(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:372: warning: Member FEMparm_parseMAXSOLVE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:391: warning: Member FEMparm_parseMAXVERT(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:411: warning: Member FEMparm_parseUSEMESH(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:138: warning: Member FUBAR(const char *name) (function) of file geoflowparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:143: warning: Member parseNonNeg(double *tf, double def, int *set, char *name, Vio *sock) (function) of file geoflowparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:164: warning: Member GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:186: warning: Member GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169: warning: Member GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171: warning: Member GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:415: warning: Member MGparm_parseDIME(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:446: warning: Member MGparm_parseCHGM(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:497: warning: Member MGparm_parseNLEV(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:516: warning: Member MGparm_parseETOL(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:539: warning: Member MGparm_parseGRID(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:570: warning: Member MGparm_parseGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:601: warning: Member MGparm_parseGAMMA(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:616: warning: Member MGparm_parseGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:668: warning: Member MGparm_parseCGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:699: warning: Member MGparm_parseFGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:730: warning: Member MGparm_parseCGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:782: warning: Member MGparm_parseFGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:834: warning: Member MGparm_parsePDIME(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:872: warning: Member MGparm_parseOFRAC(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:892: warning: Member MGparm_parseASYNC(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:912: warning: Member MGparm_parseUSEAQUA(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:970: warning: Member NOsh_parseREAD(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1021: warning: Member NOsh_parsePRINT(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1187: warning: Member NOsh_parseELEC(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1313: warning: Member NOsh_parseAPOLAR(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2385: warning: Member NOsh_parseFEM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1510: warning: Member NOsh_parseMG(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2845: warning: Member NOsh_parseBEM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2934: warning: Member NOsh_parseGEOFLOW(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3048: warning: Member NOsh_parsePBAM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3166: warning: Member NOsh_parsePBSAM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2508: warning: Member NOsh_parseAPOL(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1603: warning: Member NOsh_setupCalcMG(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1815: warning: Member NOsh_setupCalcMGAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1747: warning: Member NOsh_setupCalcMGMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2090: warning: Member NOsh_setupCalcMGPARA(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1722: warning: Member NOsh_setupCalcFEM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2471: warning: Member NOsh_setupCalcFEMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1638: warning: Member NOsh_setupCalcBEM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1666: warning: Member NOsh_setupCalcGEOFLOW(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1686: warning: Member NOsh_setupCalcPBAM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1704: warning: Member NOsh_setupCalcPBSAM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2612: warning: Member NOsh_setupCalcBEMMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2677: warning: Member NOsh_setupCalcGEOFLOWMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2735: warning: Member NOsh_setupCalcPBAMAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2786: warning: Member NOsh_setupCalcPBSAMAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2581: warning: Member NOsh_setupCalcAPOL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:598: warning: Member NOsh_parseREAD_MOL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:675: warning: Member NOsh_parseREAD_PARM(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:739: warning: Member NOsh_parseREAD_DIEL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:793: warning: Member NOsh_parseREAD_KAPPA(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:839: warning: Member NOsh_parseREAD_POTENTIAL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:884: warning: Member NOsh_parseREAD_CHARGE(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:930: warning: Member NOsh_parseREAD_MESH(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:458: warning: Member PBAMparm_parseNtraj(PBAMparm *thee, Vio *sock) (function) of file pbamparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:549: warning: Member PBAMparm_parseTerm(PBAMparm *thee, Vio *sock) (function) of file pbamparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:77: warning: Member PBAMPARM_MAXWRITE (macro definition) of file pbamparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:78: warning: Member PBAMPARM_MAXMOL (macro definition) of file pbamparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:87: warning: Member PBEparm_getzmem(PBEparm *thee) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:91: warning: Member PBEparm_getLmem(PBEparm *thee) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:95: warning: Member PBEparm_getmembraneDiel(PBEparm *thee) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:99: warning: Member PBEparm_getmemv(PBEparm *thee) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:368: warning: Member PBEparm_parseLPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:375: warning: Member PBEparm_parseNPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:382: warning: Member PBEparm_parseMOL(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:401: warning: Member PBEparm_parseLRPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:408: warning: Member PBEparm_parseNRPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:415: warning: Member PBEparm_parseSMPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:474: warning: Member PBEparm_parseBCFL(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:555: warning: Member PBEparm_parseION(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:652: warning: Member PBEparm_parsePDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:671: warning: Member PBEparm_parseSDENS(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:690: warning: Member PBEparm_parseSDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:709: warning: Member PBEparm_parseSRFM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:780: warning: Member PBEparm_parseSRAD(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:799: warning: Member PBEparm_parseSWIN(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:818: warning: Member PBEparm_parseTEMP(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:837: warning: Member PBEparm_parseUSEMAP(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:895: warning: Member PBEparm_parseCALCENERGY(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:948: warning: Member PBEparm_parseCALCFORCE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1005: warning: Member PBEparm_parseZMEM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1025: warning: Member PBEparm_parseLMEM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1044: warning: Member PBEparm_parseMDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1063: warning: Member PBEparm_parseMEMV(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1084: warning: Member PBEparm_parseWRITE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1178: warning: Member PBEparm_parseWRITEMAT(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:77: warning: Member PBSAMPARM_MAXWRITE (macro definition) of file pbsamparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:78: warning: Member PBSAMPARM_MAXMOL (macro definition) of file pbsamparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:277: warning: Member Vacc_vdwAcc(Vacc *thee, double center[3]) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:307: warning: Member Vacc_ivdwAcc(Vacc *thee, double center[3], double radius) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:679: warning: Member Vacc_writeGMV(Vacc *thee, double radius, int meth, Gem *gm, char *iodev, char *iofmt, char *iohost, char *iofile) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1252: warning: Member Vacc_SASAPos(Vacc *thee, double radius) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1277: warning: Member Vacc_atomSASAPos(Vacc *thee, double radius, Vatom *atom, int mode) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:80: warning: The following parameter of ivdwAccExclus(Vacc *thee, double center[3], double radius, int atomID) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:493: warning: The following parameter of splineAcc(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, VclistCell *cell) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:186: warning: Member Valist_readPDBSerial(Valist *thee, Vio *sock, int *serial) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:206: warning: Member Valist_readPDBAtomName(Valist *thee, Vio *sock, char atomName[VMAX_ARGLEN]) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:224: warning: Member Valist_readPDBResidueName(Valist *thee, Vio *sock, char resName[VMAX_ARGLEN]) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:242: warning: Member Valist_readPDBResidueNumber(Valist *thee, Vio *sock, int *resSeq) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:298: warning: Member Valist_readPDBAtomCoord(Valist *thee, Vio *sock, double *coord) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:316: warning: Member Valist_readPDBChargeRadius(Valist *thee, Vio *sock, double *charge, double *radius) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:344: warning: Member Valist_readPDB_throughXYZ(Valist *thee, Vio *sock, int *serial, char atomName[VMAX_ARGLEN], char resName[VMAX_ARGLEN], int *resSeq, double *x, double *y, double *z) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:424: warning: Member Valist_getAtomStorage(Valist *thee, Vatom **plist, int *pnlist, int *pnatoms) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:480: warning: Member Valist_setAtomArray(Valist *thee, Vatom **plist, int nlist, int natoms) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:60: warning: Member Valist_whiteChars (variable) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:61: warning: Member Valist_commChars (variable) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:62: warning: Member Valist_xmlwhiteChars (variable) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:128: warning: Member VCLIST_INFLATE (macro definition) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:90: warning: Member Vclist_getMolDims(Vclist *thee, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM], double *r_max) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:125: warning: Member Vclist_setupGrid(Vclist *thee) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:174: warning: Member Vclist_storeParms(Vclist *thee, Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM]) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:231: warning: Member Vclist_gridSpan(Vclist *thee, Vatom *atom, int imin[VAPBS_DIM], int imax[VAPBS_DIM]) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:262: warning: Member Vclist_arrayIndex(Vclist *thee, int i, int j, int k) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:270: warning: Member Vclist_assignAtoms(Vclist *thee) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:425: warning: Member treesetup(Vgreen *thee) (function) of file vgreen.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:505: warning: Member treecleanup(Vgreen *thee) (function) of file vgreen.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:525: warning: Member treecalc(Vgreen *thee, double *xtar, double *ytar, double *ztar, double *qtar, int numtars, double *tpengtar, double *x, double *y, double *z, double *q, int numpars, double *fx, double *fy, double *fz, int iflag, int farrdim, int arrdim) (function) of file vgreen.c is not documented.
src/generic/vstring.c...
Generating code for file src/generic/vstring.h...
Generating code for file src/generic/vunit.h...
Generating code for file src/main.c...
Generating code for file src/mg/vgrid.c...
Generating code for file src/mg/vgrid.h...
Generating code for file src/mg/vmgrid.c...
Generating code for file src/mg/vmgrid.h...
Generating code for file src/mg/vopot.c...
Generating code for file src/mg/vopot.h...
Generating code for file src/mg/vpmg.c...
Generating code for file src/mg/vpmg.h...
Generating code for file src/mg/vpmgp.c...
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Generating code for file src/pmgc/buildAd.c...
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Generating code for file src/pmgc/buildBd.c...
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Generating code for file src/pmgc/gsd.c...
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Generating docs for file src/apbs.h...
Generating docs for file src/fem/vcsm.c...
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Generating docs for file src/generic/vatom.h...
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Generating docs for file src/generic/vgreen.h...
Generating docs for file src/generic//builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:458: warning: Member MAX_HASH_DIM (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:572: warning: Member OS_SEP_STR (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:573: warning: Member OS_SEP_CHAR (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:600: warning: Member ANNOUNCE_FUNCTION (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:601: warning: Member WARN_UNTESTED (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:602: warning: Member WARN_PARTTESTED (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:653: warning: Member VCHANNELEDMESSAGE0(channel, msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:658: warning: Member VCHANNELEDMESSAGE1(channel, msg, arg0) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:665: warning: Member VCHANNELEDMESSAGE2(channel, msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:672: warning: Member VCHANNELEDMESSAGE3(channel, msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:679: warning: Member VMESSAGE0(msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:680: warning: Member VMESSAGE1(msg, arg0) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:681: warning: Member VMESSAGE2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:682: warning: Member VMESSAGE3(msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:684: warning: Member VERRMSG0(msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:685: warning: Member VERRMSG1(msg, arg0) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:686: warning: Member VERRMSG2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:687: warning: Member VERRMSG3(msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:731: warning: Member VASSERT_MSG0(cnd, msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:741: warning: Member VASSERT_MSG1(cnd, msg, arg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:753: warning: Member VASSERT_MSG2(cnd, msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:825: warning: Member VWARN_MSG0(cnd, msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:838: warning: Member VWARN_MSG1(cnd, msg, arg0) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:853: warning: Member VWARN_MSG2(cnd, msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:899: warning: Member VABORT_MSG0(msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:907: warning: Member VABORT_MSG1(msg, arg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:917: warning: Member VABORT_MSG2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:944: warning: Member PRINT_INT(expr) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:945: warning: Member PRINT_DBL(expr) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:948: warning: Member VMALLOC(vmem, n, type) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:950: warning: Member VFREE(vmem, n, type, ptr) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:952: warning: Member VFILL(vec, n, val) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:959: warning: Member VCOPY(srcvec, dstvec, i, n) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:968: warning: Member VAT(array, i) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:969: warning: Member RAT(array, i) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:1: warning: Member Vrc_Codes (typedef) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:1: warning: Member Vsol_Meth (typedef) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:966: warning: Member wrap_text(char *str, int right_margin, int left_padding) (function) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:64: warning: Member MAT2(mat, dx, dy) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:68: warning: Member RAT2(mat, x, y) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:71: warning: Member VAT2(mat, x, y) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:76: warning: Member MAT3(mat, dx, dy, dz) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:81: warning: Member RAT3(mat, x, y, z) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:84: warning: Member VAT3(mat, x, y, z) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vpbe.c:62: warning: Member MAX_SPLINE_WINDOW (macro definition) of file vpbe.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:67: warning: Member IJK(i, j, k) (macro definition) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:77: warning: Member MCwhiteChars (variable) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:78: warning: Member MCcommChars (variable) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:79: warning: Member Vcompare (variable) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:80: warning: Member Vprecision[26] (variable) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:113: warning: Member IJK(i, j, k) (macro definition) of file vopot.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1401: warning: Member Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2828: warning: Member bcCalcOrig(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3130: warning: Member gridPointIsValid(int i, int j, int k, int nx, int ny, int nz) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3313: warning: Member packAtoms(double *ax, double *ay, double *az, double *charge, double *size, Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3338: warning: Member packUnpack(int nx, int ny, int nz, int ngrid, double *gx, double *gy, double *gz, double *value, Vpmg *thee, int pack) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3407: warning: Member bcflnew(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3597: warning: Member bcfl_sdh(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3868: warning: Member bcfl_mdh(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3995: warning: Member bcfl_mem(double zmem, double L, double eps_m, double eps_w, double V, double xkappa, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4174: warning: Member bcfl_map(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6684: warning: Member markFrac(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *xarray, double *yarray, double *zarray) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10260: warning: Member fillcoPermanentInduced(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2564: warning: The following parameter of bcfl1(double size, double *apos, double charge, double xkappa, double pre1, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) is not documented:
  parameter 'size'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1359: warning: argument 'hz' of command @param is not found in the argument list of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal)
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6849: warning: The following parameter of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) is not documented:
  parameter 'rtot'
  parameter 'hzed'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3487: warning: The following parameter of multipolebc(double r, double kappa, double eps_p, double eps_w, double rad, double tsr[3]) is not documented:
  parameter 'r'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6311: warning: The following parameters of qfForceSpline1(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6448: warning: The following parameters of qfForceSpline2(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6561: warning: The following parameters of qfForceSpline4(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1148: warning: The following parameter of Vpmg_polarizEnergy(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1704: warning: The following parameter of Vpmg_qfEnergyPoint(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1861: warning: The following parameter of Vpmg_qfEnergyVolume(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1893: warning: The following parameter of Vpmg_splineSelect(int srfm, Vacc *acc, double *gpos, double win, double infrad, Vatom *atom, double *force) is not documented:
  parameter 'srfm'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6898: warning: The following parameters of zlapSolve(Vpmg *thee, double **solution, double **source, double **work1) are not documented:
  parameter 'thee'
  parameter 'solution'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:105: warning: Member VPMGMAXPART (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1392: warning: Member VCUB(x) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1393: warning: Member VLOG(x) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1395: warning: Member IJK(i, j, k) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1396: warning: Member IJKx(j, k, i) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1397: warning: Member IJKy(i, k, j) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1398: warning: Member IJKz(i, j, k) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1399: warning: Member VFCHI(iint, iflt) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385: warning: Member Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag) (function) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058: warning: The following parameter of bcfl1(double size, double *apos, double charge, double xkappa, double pre1, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) is not documented:
  parameter 'size'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364: warning: The following parameter of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) is not documented:
  parameter 'rtot'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109: warning: The following parameter of multipolebc(double r, double kappa, double eps_p, double eps_w, double rad, double tsr[3]) is not documented:
  parameter 'r'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317: warning: The following parameters of qfForceSpline1(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327: warning: The following parameters of qfForceSpline2(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337: warning: The following parameters of qfForceSpline4(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998: warning: The following parameter of Vpmg_polarizEnergy(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009: warning: The following parameter of Vpmg_qfEnergyPoint(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020: warning: The following parameter of Vpmg_qfEnergyVolume(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031: warning: The following parameter of Vpmg_splineSelect(int srfm, Vacc *acc, double *gpos, double win, double infrad, Vatom *atom, double *force) is not documented:
  parameter 'srfm'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351: warning: The following parameters of zlapSolve(Vpmg *thee, double **solution, double **source, double **work1) are not documented:
  parameter 'thee'
  parameter 'solution'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c:294: warning: Member coarsenThis(int nOld) (function) of file vpmgp.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:245: warning: argument 'parm' of command @param is not found in the argument list of PBAMparm_parseSalt(PBAMparm *thee, Vio *sock)
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251: warning: The following parameter of PBAMparm_parseSalt(PBAMparm *thee, Vio *sock) is not documented:
  parameter 'sock'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:515: warning: The following parameter of energyAPOL(APOLparm *apolparm, double sasa, double sav, double atomsasa[], double atomwcaEnergy[], int numatoms) is not documented:
  parameter 'apolparm'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:612: warning: The following parameter of killFE(NOsh *nosh, Vpbe *pbe[NOSH_MAXCALC], Vfetk *fetk[NOSH_MAXCALC], Gem *gem[NOSH_MAXMOL]) is not documented:
  parameter 'nosh'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:264: warning: The following parameter of killMG(NOsh *nosh, Vpbe *pbe[NOSH_MAXCALC], Vpmgp *pmgp[NOSH_MAXCALC], Vpmg *pmg[NOSH_MAXCALC]) is not documented:
  parameter 'nosh'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:882: warning: argument 'charge' of command @param is not found in the argument list of loadChargeMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL])
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:211: warning: The following parameter of loadChargeMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented:
  parameter 'map'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:662: warning: argument 'kappa' of command @param is not found in the argument list of loadKappaMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL])
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:177: warning: The following parameter of loadKappaMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented:
  parameter 'map'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:791: warning: argument 'pot' of command @param is not found in the argument list of loadPotMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL])
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:194: warning: The following parameter of loadPotMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented:
  parameter 'map'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:620: warning: argument 'nosh' of command @param is not found in the argument list of preRefineFE(int i, FEMparm *feparm, Vfetk *fetk[NOSH_MAXCALC])
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:496: warning: The following parameter of printApolForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:447: warning: The following parameter of printElecEnergy(Vcom *com, NOsh *nosh, double totEnergy[NOSH_MAXCALC], int iprint) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:483: warning: The following parameter of printElecForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:434: warning: The following parameter of printEnergy(Vcom *com, NOsh *nosh, double totEnergy[NOSH_MAXCALC], int iprint) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:470: warning: The following parameter of printForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4125: warning: argument 'i' of command @param is not found in the argument list of solveFE(int icalc, PBEparm *pbeparm, FEMparm *feparm, Vfetk *fetk[NOSH_MAXCALC])
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:104: warning: Member vdw (variable) of struct sGEOFLOWparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:105: warning: Member setvdw (variable) of struct sGEOFLOWparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:111: warning: Member salt (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:112: warning: Member setsalt (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:115: warning: Member runtype[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:116: warning: Member setruntype (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:119: warning: Member runname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:120: warning: Member setrunname (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:123: warning: Member setrandorient (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:126: warning: Member pbcboxlen (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:127: warning: Member setpbcs (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:130: warning: Member units[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:131: warning: Member setunits (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:137: warning: Member gridpt (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:138: warning: Member setgridpt (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:141: warning: Member map3dname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:142: warning: Member set3dmap (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:145: warning: Member grid2Dname[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:146: warning: Member grid2Dax[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:147: warning: Member grid2Dloc[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:148: warning: Member grid2Dct (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:149: warning: Member setgrid2Dname (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:152: warning: Member dxname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:153: warning: Member setdxname (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:158: warning: Member ntraj (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:159: warning: Member setntraj (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:161: warning: Member termcombine[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:162: warning: Member settermcombine (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:164: warning: Member diffct (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:165: warning: Member moveType[PBAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:166: warning: Member transDiff[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:167: warning: Member rotDiff[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:169: warning: Member termct (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:170: warning: Member setterm (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:172: warning: Member termnam[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:173: warning: Member termnu[PBAMPARM_MAXWRITE][1] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:174: warning: Member termVal[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:175: warning: Member confil[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:176: warning: Member conpad[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:177: warning: Member confilct (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:179: warning: Member setxyz (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:180: warning: Member xyzct[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:181: warning: Member xyzfil[PBAMPARM_MAXMOL][PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.h:202: warning: Member pbam_3dmapstem[VMAX_ARGLEN] (variable) of struct sPBEparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.h:203: warning: Member pbam_3dmapflag (variable) of struct sPBEparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:112: warning: Member settolsp (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:113: warning: Member tolsp (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:115: warning: Member setmsms (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:116: warning: Member probe_radius (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:117: warning: Member density (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:119: warning: Member setsurf (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:120: warning: Member surfct (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:121: warning: Member surffil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:123: warning: Member setimat (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:124: warning: Member imatct (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:125: warning: Member imatfil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:127: warning: Member setexp (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:128: warning: Member expct (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:129: warning: Member expfil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented.
vhal.h...
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Chapter 1.
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Chapter 2.
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Chapter 3.
(./deprecated.tex) [9] [10]
Chapter 4.
(./modules.tex
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) [11] [12]
Chapter 5.
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Chapter 6.
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[]                                                                        \T1/p
cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] 
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 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
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Chapter 1.
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Chapter 2.
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Chapter 3.
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Chapter 4.
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Chapter 5.
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Chapter 6.
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Overfull \vbox (1.2755pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 268
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Underfull \hbox (badness 10000) detected at line 292
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Underfull \hbox (badness 10000) detected at line 319
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Underfull \hbox (badness 10000) detected at line 322
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Underfull \hbox (badness 10000) detected at line 348
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Underfull \hbox (badness 10000) detected at line 351
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Underfull \hbox (badness 10000) detected at line 377
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Underfull \hbox (badness 10000) detected at line 380
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Overfull \vbox (1.44667pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 427
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Underfull \hbox (badness 10000) detected at line 430
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Underfull \hbox (badness 10000) detected at line 452
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Underfull \hbox (badness 10000) detected at line 455
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) (./group___vfetk.tex [26] [27] [28] [29]
Underfull \hbox (badness 10000) detected at line 197
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[30]
Underfull \hbox (badness 10000) detected at line 291
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Underfull \hbox (badness 10000) detected at line 356
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Underfull \hbox (badness 10000) detected at line 388
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Underfull \hbox (badness 10000) detected at line 391
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Underfull \hbox (badness 10000) detected at line 415
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Underfull \hbox (badness 10000) detected at line 449
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Underfull \hbox (badness 10000) detected at line 459
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Underfull \hbox (badness 10000) detected at line 527
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Underfull \hbox (badness 10000) detected at line 581
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Underfull \hbox (badness 10000) detected at line 610
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Underfull \hbox (badness 10000) detected at line 641
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Underfull \hbox (badness 10000) detected at line 669
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Underfull \hbox (badness 10000) detected at line 672
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Underfull \hbox (badness 10000) detected at line 694
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Underfull \hbox (badness 10000) detected at line 697
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Underfull \hbox (badness 10000) detected at line 700
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Underfull \hbox (badness 10000) detected at line 724
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Underfull \hbox (badness 10000) detected at line 727
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Underfull \hbox (badness 10000) detected at line 749
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Underfull \hbox (badness 10000) detected at line 752
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Overfull \vbox (18.29141pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 779
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Underfull \hbox (badness 10000) detected at line 804
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Underfull \hbox (badness 10000) detected at line 807
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Underfull \hbox (badness 10000) detected at line 829
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Underfull \hbox (badness 10000) detected at line 849
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Underfull \hbox (badness 10000) detected at line 879
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Underfull \hbox (badness 10000) detected at line 882
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Underfull \hbox (badness 10000) detected at line 904
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Underfull \hbox (badness 10000) detected at line 907
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Underfull \hbox (badness 10000) detected at line 933
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Underfull \hbox (badness 10000) detected at line 936
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Underfull \hbox (badness 10000) detected at line 960
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Underfull \hbox (badness 10000) detected at line 963
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Underfull \hbox (badness 10000) detected at line 989
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Underfull \hbox (badness 10000) detected at line 1025
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Underfull \hbox (badness 10000) detected at line 1028
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Underfull \hbox (badness 10000) detected at line 1058
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Underfull \hbox (badness 10000) detected at line 1061
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Underfull \hbox (badness 10000) detected at line 1083
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Underfull \hbox (badness 10000) detected at line 1086
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Underfull \hbox (badness 10000) detected at line 1110
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Underfull \hbox (badness 10000) detected at line 1142
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Underfull \hbox (badness 10000) detected at line 1175
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Underfull \hbox (badness 10000) detected at line 1178
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Underfull \hbox (badness 10000) detected at line 1204
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Underfull \hbox (badness 10000) detected at line 1232
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Underfull \hbox (badness 10000) detected at line 1262
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Underfull \hbox (badness 10000) detected at line 1296
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Underfull \hbox (badness 10000) detected at line 1299
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Underfull \hbox (badness 10000) detected at line 1325
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Underfull \hbox (badness 10000) detected at line 1328
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Underfull \hbox (badness 10000) detected at line 1354
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Underfull \hbox (badness 10000) detected at line 1391
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Underfull \hbox (badness 10000) detected at line 1394
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Underfull \hbox (badness 10000) detected at line 1422
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Underfull \hbox (badness 10000) detected at line 1456
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Underfull \hbox (badness 10000) detected at line 1459
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Underfull \hbox (badness 10000) detected at line 1542
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Underfull \hbox (badness 10000) detected at line 1576
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Underfull \hbox (badness 10000) detected at line 1579
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Underfull \hbox (badness 10000) detected at line 1622
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Underfull \hbox (badness 10000) detected at line 1632
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Underfull \hbox (badness 10000) detected at line 1656
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Underfull \hbox (badness 10000) detected at line 1659
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Underfull \hbox (badness 10000) detected at line 1662
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Underfull \hbox (badness 10000) detected at line 1684
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Underfull \hbox (badness 10000) detected at line 1687
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Underfull \hbox (badness 10000) detected at line 1690
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Underfull \hbox (badness 10000) detected at line 1712
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Underfull \hbox (badness 10000) detected at line 1738
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Underfull \hbox (badness 10000) detected at line 1758
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Underfull \hbox (badness 10000) detected at line 1763
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) (./group___vpee.tex [56]
Underfull \hbox (badness 10000) detected at line 59
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Overfull \vbox (9.38481pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 78
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Underfull \hbox (badness 10000) detected at line 95
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Underfull \hbox (badness 10000) detected at line 98
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Underfull \hbox (badness 10000) detected at line 116
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Underfull \hbox (badness 10000) detected at line 133
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Underfull \hbox (badness 10000) detected at line 155
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Underfull \hbox (badness 10000) detected at line 179
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Underfull \hbox (badness 10000) detected at line 182
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Underfull \hbox (badness 10000) detected at line 185
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[59]
Underfull \hbox (badness 10000) detected at line 225
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Underfull \hbox (badness 10000) detected at line 228
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) (./group___a_p_o_lparm.tex [60] [61] [62]
Underfull \hbox (badness 10000) detected at line 173
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Underfull \hbox (badness 10000) detected at line 225
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Underfull \hbox (badness 10000) detected at line 242
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Underfull \hbox (badness 10000) detected at line 250
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Underfull \hbox (badness 10000) detected at line 267
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Underfull \hbox (badness 10000) detected at line 289
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) (./group___b_e_mparm.tex [64]
Underfull \hbox (badness 10000) detected at line 66
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Underfull \hbox (badness 10000) detected at line 69
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Underfull \hbox (badness 10000) detected at line 112
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Underfull \hbox (badness 10000) detected at line 120
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Underfull \hbox (badness 10000) detected at line 137
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Underfull \hbox (badness 10000) detected at line 145
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Underfull \hbox (badness 10000) detected at line 162
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Underfull \hbox (badness 10000) detected at line 172
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Underfull \hbox (badness 10000) detected at line 189
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Underfull \hbox (badness 10000) detected at line 211
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Underfull \hbox (badness 10000) detected at line 233
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Underfull \hbox (badness 10000) detected at line 245
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) (./group___f_e_mparm.tex [68] [69]
Underfull \hbox (badness 10000) detected at line 88
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Underfull \hbox (badness 10000) detected at line 132
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Underfull \hbox (badness 10000) detected at line 135
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Underfull \hbox (badness 10000) detected at line 174
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Underfull \hbox (badness 10000) detected at line 208
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Underfull \hbox (badness 10000) detected at line 216
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Underfull \hbox (badness 10000) detected at line 233
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Underfull \hbox (badness 10000) detected at line 257
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Underfull \hbox (badness 10000) detected at line 265
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Underfull \hbox (badness 10000) detected at line 282
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Underfull \hbox (badness 10000) detected at line 292
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[72]
Underfull \hbox (badness 10000) detected at line 309
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Underfull \hbox (badness 10000) detected at line 331
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) (./group___g_e_o_f_l_o_wparm.tex [73]
Underfull \hbox (badness 10000) detected at line 69
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Underfull \hbox (badness 10000) detected at line 72
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Underfull \hbox (badness 10000) detected at line 111
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Underfull \hbox (badness 10000) detected at line 119
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Underfull \hbox (badness 10000) detected at line 136
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Underfull \hbox (badness 10000) detected at line 160
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Underfull \hbox (badness 10000) detected at line 168
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Underfull \hbox (badness 10000) detected at line 185
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Underfull \hbox (badness 10000) detected at line 195
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Underfull \hbox (badness 10000) detected at line 212
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Underfull \hbox (badness 10000) detected at line 234
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Underfull \hbox (badness 10000) detected at line 256
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Underfull \hbox (badness 10000) detected at line 268
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) (./group___m_gparm.tex [77] [78] [79]
Underfull \hbox (badness 10000) detected at line 179
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Underfull \hbox (badness 10000) detected at line 191
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Underfull \hbox (badness 10000) detected at line 208
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Overfull \vbox (14.70921pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 220
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Underfull \hbox (badness 10000) detected at line 237
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Underfull \hbox (badness 10000) detected at line 245
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Underfull \hbox (badness 10000) detected at line 262
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Underfull \hbox (badness 10000) detected at line 286
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Underfull \hbox (badness 10000) detected at line 294
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Underfull \hbox (badness 10000) detected at line 311
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Underfull \hbox (badness 10000) detected at line 321
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Underfull \hbox (badness 10000) detected at line 338
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Underfull \hbox (badness 10000) detected at line 360
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Underfull \hbox (badness 10000) detected at line 390
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Underfull \hbox (badness 10000) detected at line 407
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Underfull \hbox (badness 10000) detected at line 415
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Underfull \hbox (badness 10000) detected at line 432
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Underfull \hbox (badness 10000) detected at line 440
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Underfull \hbox (badness 10000) detected at line 457
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Underfull \hbox (badness 10000) detected at line 465
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Underfull \hbox (badness 10000) detected at line 482
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Underfull \hbox (badness 10000) detected at line 490
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Underfull \hbox (badness 10000) detected at line 507
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Underfull \hbox (badness 10000) detected at line 515
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Underfull \hbox (badness 10000) detected at line 532
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Underfull \hbox (badness 10000) detected at line 540
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Underfull \hbox (badness 10000) detected at line 557
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Underfull \hbox (badness 10000) detected at line 565
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Underfull \hbox (badness 10000) detected at line 582
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Underfull \hbox (badness 10000) detected at line 590
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Underfull \hbox (badness 10000) detected at line 607
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Underfull \hbox (badness 10000) detected at line 619
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Underfull \hbox (badness 10000) detected at line 636
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Underfull \hbox (badness 10000) detected at line 660
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[87]
Underfull \hbox (badness 10000) detected at line 684
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) (./group___n_osh.tex [88] [89] [90] [91]
Underfull \hbox (badness 10000) detected at line 311
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Underfull \hbox (badness 10000) detected at line 362
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Underfull \hbox (badness 10000) detected at line 370
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Underfull \hbox (badness 10000) detected at line 387
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Underfull \hbox (badness 10000) detected at line 409
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Overfull \vbox (9.96391pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 419
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Underfull \hbox (badness 10000) detected at line 436
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Underfull \hbox (badness 10000) detected at line 448
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Underfull \hbox (badness 10000) detected at line 465
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Underfull \hbox (badness 10000) detected at line 487
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Underfull \hbox (badness 10000) detected at line 519
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Underfull \hbox (badness 10000) detected at line 536
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Underfull \hbox (badness 10000) detected at line 539
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Underfull \hbox (badness 10000) detected at line 549
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Underfull \hbox (badness 10000) detected at line 552
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Underfull \hbox (badness 10000) detected at line 569
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Underfull \hbox (badness 10000) detected at line 579
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Underfull \hbox (badness 10000) detected at line 596
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Underfull \hbox (badness 10000) detected at line 606
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Underfull \hbox (badness 10000) detected at line 623
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Underfull \hbox (badness 10000) detected at line 633
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Underfull \hbox (badness 10000) detected at line 660
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Underfull \hbox (badness 10000) detected at line 677
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Underfull \hbox (badness 10000) detected at line 704
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Underfull \hbox (badness 10000) detected at line 714
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Underfull \hbox (badness 10000) detected at line 731
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Underfull \hbox (badness 10000) detected at line 741
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Underfull \hbox (badness 10000) detected at line 768
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Underfull \hbox (badness 10000) detected at line 785
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Underfull \hbox (badness 10000) detected at line 795
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Underfull \hbox (badness 10000) detected at line 812
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Underfull \hbox (badness 10000) detected at line 822
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Underfull \hbox (badness 10000) detected at line 839
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Underfull \hbox (badness 10000) detected at line 849
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Underfull \hbox (badness 10000) detected at line 866
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Underfull \hbox (badness 10000) detected at line 876
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Underfull \hbox (badness 10000) detected at line 893
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Underfull \hbox (badness 10000) detected at line 896
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Underfull \hbox (badness 10000) detected at line 906
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Underfull \hbox (badness 10000) detected at line 923
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Underfull \hbox (badness 10000) detected at line 928
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Underfull \hbox (badness 10000) detected at line 938
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Underfull \hbox (badness 10000) detected at line 955
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Underfull \hbox (badness 10000) detected at line 958
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Underfull \hbox (badness 10000) detected at line 970
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Underfull \hbox (badness 10000) detected at line 973
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Underfull \hbox (badness 10000) detected at line 990
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Underfull \hbox (badness 10000) detected at line 993
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Underfull \hbox (badness 10000) detected at line 1003
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Underfull \hbox (badness 10000) detected at line 1006
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Underfull \hbox (badness 10000) detected at line 1023
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Underfull \hbox (badness 10000) detected at line 1026
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Underfull \hbox (badness 10000) detected at line 1038
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Underfull \hbox (badness 10000) detected at line 1041
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Underfull \hbox (badness 10000) detected at line 1058
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Underfull \hbox (badness 10000) detected at line 1061
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Underfull \hbox (badness 10000) detected at line 1071
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Underfull \hbox (badness 10000) detected at line 1074
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Underfull \hbox (badness 10000) detected at line 1091
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Underfull \hbox (badness 10000) detected at line 1094
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Underfull \hbox (badness 10000) detected at line 1104
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Underfull \hbox (badness 10000) detected at line 1128
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Underfull \hbox (badness 10000) detected at line 1131
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Underfull \hbox (badness 10000) detected at line 1141
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) (./group___p_b_a_mparm.tex [105] [106]
Underfull \hbox (badness 10000) detected at line 101
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Underfull \hbox (badness 10000) detected at line 104
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Overfull \vbox (0.4495pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 143
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Underfull \hbox (badness 10000) detected at line 192
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Underfull \hbox (badness 10000) detected at line 266
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Underfull \hbox (badness 10000) detected at line 336
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Underfull \hbox (badness 10000) detected at line 408
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Overfull \vbox (17.70645pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 480
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Overfull \vbox (17.5984pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 552
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Underfull \hbox (badness 10000) detected at line 581
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Underfull \hbox (badness 10000) detected at line 605
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) (./group___p_b_eparm.tex [115] [116]
Underfull \hbox (badness 10000) detected at line 151
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Underfull \hbox (badness 10000) detected at line 200
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Underfull \hbox (badness 10000) detected at line 343
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Underfull \hbox (badness 10000) detected at line 370
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Underfull \hbox (badness 10000) detected at line 373
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Underfull \hbox (badness 10000) detected at line 85
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Underfull \hbox (badness 10000) detected at line 184
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Underfull \hbox (badness 10000) detected at line 320
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Underfull \hbox (badness 10000) detected at line 380
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Underfull \hbox (badness 10000) detected at line 397
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) (./group___vacc.tex [127] [128] [129]
Underfull \hbox (badness 10000) detected at line 120
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Underfull \hbox (badness 10000) detected at line 184
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Underfull \hbox (badness 10000) detected at line 305
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[]                                                                        \T1/p
cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] 
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
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> [1123] <./vpmgp_8h__dep__incl.pdf
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) (./vpmgp_8h_source.tex [1126] [1127]) (./routines_8c.tex <./routines_8c__incl
.pdf
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\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv
/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], 
[] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]
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\T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[]
[][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], []
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\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C
$\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], 
[]
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[]\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem
, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy
/m/n/10 ^^C$\T1/phv/m/n/10 atom[]
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\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
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\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
[1129]
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[]\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com,
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m/n/10 ^^C$\T1/phv/m/n/10 atom[]
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[]\T1/phv/m/n/10 VPUBLIC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
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1/phv/m/n/10 fetk[][][], Gem
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[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS
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) (./routines_8c_source.tex [1131] [1132] [1133] [1134] [1135] [1136] [1137]
[1138] [1139] [1140] [1141] [1142] [1143] [1144] [1145] [1146] [1147] [1148]
[1149] [1150] [1151] [1152] [1153] [1154] [1155] [1156] [1157] [1158] [1159]
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[1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192]
[1193] [1194] [1195] [1196] [1197] [1198] [1199]) (./routines_8h.tex <./routine
s_8h__incl.pdf
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[]\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10
 ^^C$\T1/phv/m/n/10 diel[]YMap[][][],
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[]\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh
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0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][],
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[] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1
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[], []
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\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C
$\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], 
[]
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\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
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atom[]Energy[][][], int nforce[][][],
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[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
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[1203]) (./routines_8h_source.tex [1204] [1205] [1206] [1207]) [1208]
(./refman.ind [1209] [1210] [1211] [1212] [1213] [1214] [1215] [1216] [1217]
[1218] [1219] [1220] [1221] [1222] [1223] [1224] [1225] [1226] [1227] [1228]
[1229] [1230] [1231] [1232] [1233] [1234] [1235] [1236] [1237] [1238] [1239]
[1240] [1241] [1242] [1243] [1244] [1245] [1246])
Package longtable Warning: Table widths have changed. Rerun LaTeX.
(./refman.aux)
LaTeX Warning: There were undefined references.
LaTeX Warning: There were multiply-defined labels.
Package rerunfilecheck Warning: File `refman.out' has changed.
(rerunfilecheck)                Rerun to get outlines right
(rerunfilecheck)                or use package `bookmark'.
 )
(see the transcript file for additional information)pdfTeX warning (dest): name
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Underfull \hbox (badness 10000) detected at line 829
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Underfull \hbox (badness 10000) detected at line 879
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Underfull \hbox (badness 10000) detected at line 904
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Underfull \hbox (badness 10000) detected at line 933
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Underfull \hbox (badness 10000) detected at line 960
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Underfull \hbox (badness 10000) detected at line 989
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Underfull \hbox (badness 10000) detected at line 1025
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Underfull \hbox (badness 10000) detected at line 1083
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Underfull \hbox (badness 10000) detected at line 1110
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Underfull \hbox (badness 10000) detected at line 1142
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Underfull \hbox (badness 10000) detected at line 1175
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Underfull \hbox (badness 10000) detected at line 1178
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Underfull \hbox (badness 10000) detected at line 1232
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Underfull \hbox (badness 10000) detected at line 1262
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Underfull \hbox (badness 10000) detected at line 1296
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Underfull \hbox (badness 10000) detected at line 1299
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Underfull \hbox (badness 10000) detected at line 1354
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Underfull \hbox (badness 10000) detected at line 1422
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Underfull \hbox (badness 10000) detected at line 1456
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Underfull \hbox (badness 10000) detected at line 1459
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Underfull \hbox (badness 10000) detected at line 1542
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Underfull \hbox (badness 10000) detected at line 1579
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Underfull \hbox (badness 10000) detected at line 1622
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Underfull \hbox (badness 10000) detected at line 1656
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Underfull \hbox (badness 10000) detected at line 1690
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Underfull \hbox (badness 10000) detected at line 1712
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Underfull \hbox (badness 10000) detected at line 1758
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Underfull \hbox (badness 10000) detected at line 1763
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) (./group___vpee.tex [56]
Underfull \hbox (badness 10000) detected at line 59
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Overfull \vbox (9.38481pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 78
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Underfull \hbox (badness 10000) detected at line 116
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Underfull \hbox (badness 10000) detected at line 133
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Underfull \hbox (badness 10000) detected at line 225
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Underfull \hbox (badness 10000) detected at line 228
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) (./group___a_p_o_lparm.tex [60] [61] [62]
Underfull \hbox (badness 10000) detected at line 173
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Underfull \hbox (badness 10000) detected at line 242
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Underfull \hbox (badness 10000) detected at line 267
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Underfull \hbox (badness 10000) detected at line 289
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) (./group___b_e_mparm.tex [64]
Underfull \hbox (badness 10000) detected at line 66
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Underfull \hbox (badness 10000) detected at line 69
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Underfull \hbox (badness 10000) detected at line 137
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Underfull \hbox (badness 10000) detected at line 162
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Underfull \hbox (badness 10000) detected at line 211
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Underfull \hbox (badness 10000) detected at line 233
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Underfull \hbox (badness 10000) detected at line 245
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) (./group___f_e_mparm.tex [68] [69]
Underfull \hbox (badness 10000) detected at line 88
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Underfull \hbox (badness 10000) detected at line 135
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Underfull \hbox (badness 10000) detected at line 174
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Underfull \hbox (badness 10000) detected at line 257
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Underfull \hbox (badness 10000) detected at line 282
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Underfull \hbox (badness 10000) detected at line 309
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Underfull \hbox (badness 10000) detected at line 331
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) (./group___g_e_o_f_l_o_wparm.tex [73]
Underfull \hbox (badness 10000) detected at line 69
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Underfull \hbox (badness 10000) detected at line 111
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Underfull \hbox (badness 10000) detected at line 136
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Underfull \hbox (badness 10000) detected at line 160
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Underfull \hbox (badness 10000) detected at line 168
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Underfull \hbox (badness 10000) detected at line 185
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Underfull \hbox (badness 10000) detected at line 195
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Underfull \hbox (badness 10000) detected at line 212
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Underfull \hbox (badness 10000) detected at line 234
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Underfull \hbox (badness 10000) detected at line 256
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Underfull \hbox (badness 10000) detected at line 268
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) (./group___m_gparm.tex [77] [78] [79]
Underfull \hbox (badness 10000) detected at line 179
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Overfull \vbox (14.70921pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 220
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Underfull \hbox (badness 10000) detected at line 262
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Underfull \hbox (badness 10000) detected at line 286
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Underfull \hbox (badness 10000) detected at line 311
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Underfull \hbox (badness 10000) detected at line 321
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Underfull \hbox (badness 10000) detected at line 338
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Underfull \hbox (badness 10000) detected at line 360
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Underfull \hbox (badness 10000) detected at line 407
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Underfull \hbox (badness 10000) detected at line 415
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Underfull \hbox (badness 10000) detected at line 432
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Underfull \hbox (badness 10000) detected at line 440
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Underfull \hbox (badness 10000) detected at line 457
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Underfull \hbox (badness 10000) detected at line 465
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Underfull \hbox (badness 10000) detected at line 482
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Underfull \hbox (badness 10000) detected at line 490
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Underfull \hbox (badness 10000) detected at line 507
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Underfull \hbox (badness 10000) detected at line 515
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Underfull \hbox (badness 10000) detected at line 532
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Underfull \hbox (badness 10000) detected at line 540
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Underfull \hbox (badness 10000) detected at line 557
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Underfull \hbox (badness 10000) detected at line 565
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Underfull \hbox (badness 10000) detected at line 582
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Underfull \hbox (badness 10000) detected at line 590
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Underfull \hbox (badness 10000) detected at line 607
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Underfull \hbox (badness 10000) detected at line 619
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Underfull \hbox (badness 10000) detected at line 636
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Underfull \hbox (badness 10000) detected at line 660
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[87]
Underfull \hbox (badness 10000) detected at line 684
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) (./group___n_osh.tex [88] [89] [90] [91]
Underfull \hbox (badness 10000) detected at line 311
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Underfull \hbox (badness 10000) detected at line 338
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Underfull \hbox (badness 10000) detected at line 362
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Underfull \hbox (badness 10000) detected at line 370
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Underfull \hbox (badness 10000) detected at line 387
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Overfull \vbox (9.96391pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 419
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Underfull \hbox (badness 10000) detected at line 436
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Underfull \hbox (badness 10000) detected at line 448
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Underfull \hbox (badness 10000) detected at line 465
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Underfull \hbox (badness 10000) detected at line 487
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Underfull \hbox (badness 10000) detected at line 519
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Underfull \hbox (badness 10000) detected at line 536
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Underfull \hbox (badness 10000) detected at line 539
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Underfull \hbox (badness 10000) detected at line 549
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Underfull \hbox (badness 10000) detected at line 552
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Underfull \hbox (badness 10000) detected at line 569
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Underfull \hbox (badness 10000) detected at line 579
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Underfull \hbox (badness 10000) detected at line 596
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Underfull \hbox (badness 10000) detected at line 606
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Underfull \hbox (badness 10000) detected at line 623
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Underfull \hbox (badness 10000) detected at line 633
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Underfull \hbox (badness 10000) detected at line 650
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Underfull \hbox (badness 10000) detected at line 660
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Underfull \hbox (badness 10000) detected at line 677
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Underfull \hbox (badness 10000) detected at line 687
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Underfull \hbox (badness 10000) detected at line 704
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Underfull \hbox (badness 10000) detected at line 714
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Underfull \hbox (badness 10000) detected at line 731
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Underfull \hbox (badness 10000) detected at line 741
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Underfull \hbox (badness 10000) detected at line 758
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Underfull \hbox (badness 10000) detected at line 768
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Underfull \hbox (badness 10000) detected at line 785
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Underfull \hbox (badness 10000) detected at line 795
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Underfull \hbox (badness 10000) detected at line 812
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Underfull \hbox (badness 10000) detected at line 822
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Underfull \hbox (badness 10000) detected at line 839
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Underfull \hbox (badness 10000) detected at line 849
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Underfull \hbox (badness 10000) detected at line 866
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Underfull \hbox (badness 10000) detected at line 876
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Underfull \hbox (badness 10000) detected at line 893
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Underfull \hbox (badness 10000) detected at line 896
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Underfull \hbox (badness 10000) detected at line 906
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Underfull \hbox (badness 10000) detected at line 923
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Underfull \hbox (badness 10000) detected at line 928
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Underfull \hbox (badness 10000) detected at line 938
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Underfull \hbox (badness 10000) detected at line 955
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Underfull \hbox (badness 10000) detected at line 958
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Underfull \hbox (badness 10000) detected at line 970
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Underfull \hbox (badness 10000) detected at line 973
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Underfull \hbox (badness 10000) detected at line 990
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Underfull \hbox (badness 10000) detected at line 993
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Underfull \hbox (badness 10000) detected at line 1003
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Underfull \hbox (badness 10000) detected at line 1006
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Underfull \hbox (badness 10000) detected at line 1023
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Underfull \hbox (badness 10000) detected at line 1026
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Underfull \hbox (badness 10000) detected at line 1038
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Underfull \hbox (badness 10000) detected at line 1041
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Underfull \hbox (badness 10000) detected at line 1058
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Underfull \hbox (badness 10000) detected at line 1061
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Underfull \hbox (badness 10000) detected at line 1071
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Underfull \hbox (badness 10000) detected at line 1074
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Underfull \hbox (badness 10000) detected at line 1091
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Underfull \hbox (badness 10000) detected at line 1094
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Underfull \hbox (badness 10000) detected at line 1104
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Underfull \hbox (badness 10000) detected at line 1128
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Underfull \hbox (badness 10000) detected at line 1131
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Underfull \hbox (badness 10000) detected at line 1141
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) (./group___p_b_a_mparm.tex [105] [106]
Underfull \hbox (badness 10000) detected at line 101
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Underfull \hbox (badness 10000) detected at line 104
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Overfull \vbox (0.4495pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 143
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Underfull \hbox (badness 10000) detected at line 168
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Underfull \hbox (badness 10000) detected at line 192
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Underfull \hbox (badness 10000) detected at line 217
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Underfull \hbox (badness 10000) detected at line 244
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Underfull \hbox (badness 10000) detected at line 266
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Underfull \hbox (badness 10000) detected at line 336
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Underfull \hbox (badness 10000) detected at line 384
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Underfull \hbox (badness 10000) detected at line 408
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Overfull \vbox (17.70645pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 480
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Overfull \vbox (17.5984pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 552
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Underfull \hbox (badness 10000) detected at line 581
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Underfull \hbox (badness 10000) detected at line 605
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) (./group___p_b_eparm.tex [115] [116]
Underfull \hbox (badness 10000) detected at line 151
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Underfull \hbox (badness 10000) detected at line 200
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Underfull \hbox (badness 10000) detected at line 370
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Underfull \hbox (badness 10000) detected at line 373
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Underfull \hbox (badness 10000) detected at line 85
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Underfull \hbox (badness 10000) detected at line 184
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Underfull \hbox (badness 10000) detected at line 320
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Underfull \hbox (badness 10000) detected at line 380
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Underfull \hbox (badness 10000) detected at line 397
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) (./group___vacc.tex [127] [128] [129]
Underfull \hbox (badness 10000) detected at line 120
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Underfull \hbox (badness 10000) detected at line 184
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Underfull \hbox (badness 10000) detected at line 305
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Underfull \hbox (badness 10000) detected at line 382
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Underfull \hbox (badness 10000) detected at line 443
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Overfull \vbox (12.33495pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 501
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Overfull \vbox (14.12279pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 566
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Underfull \hbox (badness 10000) detected at line 631
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Underfull \hbox (badness 10000) detected at line 695
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Underfull \hbox (badness 10000) detected at line 729
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Underfull \hbox (badness 10000) detected at line 761
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Underfull \hbox (badness 10000) detected at line 853
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Underfull \hbox (badness 10000) detected at line 859
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Underfull \hbox (badness 10000) detected at line 892
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Underfull \hbox (badness 10000) detected at line 912
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Underfull \hbox (badness 10000) detected at line 978
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Underfull \hbox (badness 10000) detected at line 1011
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Underfull \hbox (badness 10000) detected at line 1014
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Underfull \hbox (badness 10000) detected at line 1040
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Underfull \hbox (badness 10000) detected at line 1093
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Underfull \hbox (badness 10000) detected at line 1117
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Underfull \hbox (badness 10000) detected at line 1120
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Underfull \hbox (badness 10000) detected at line 1123
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) (./group___valist.tex [146]
Underfull \hbox (badness 10000) detected at line 75
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Underfull \hbox (badness 10000) detected at line 95
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Underfull \hbox (badness 10000) detected at line 164
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Underfull \hbox (badness 10000) detected at line 191
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Underfull \hbox (badness 10000) detected at line 194
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Underfull \hbox (badness 10000) detected at line 216
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Underfull \hbox (badness 10000) detected at line 244
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[]                                                                        \T1/p
cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] 
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) (./group___vpmgp.tex [267]
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) (./group___p_m_g_c.tex [270] [271] [272] [273] [274]
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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partment Energy.[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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partment Energy.[] 
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partment Energy.[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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partment Energy.[] 
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 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS
/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, []
[362]
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[]\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
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[]\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh
, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1
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[], []
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[]
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\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
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atom[]Energy[][][], int nforce[][][],
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) [391] [392]
Chapter 8.
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[492]) [493] [494]
Chapter 9.
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 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory.  
Portions Copyright (c) 2002-2020, Washington University in St. Louis.  Portions
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he Regents of the University of California. Portions Copyright (c) 1995, Michae
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Chapter 1.
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Chapter 2.
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Chapter 3.
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Chapter 4.
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Chapter 5.
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Chapter 6.
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Chapter 7.
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Underfull \hbox (badness 10000) detected at line 212
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Underfull \hbox (badness 10000) detected at line 234
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Underfull \hbox (badness 10000) detected at line 256
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Underfull \hbox (badness 10000) detected at line 268
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) (./group___m_gparm.tex [77] [78] [79]
Underfull \hbox (badness 10000) detected at line 179
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Overfull \vbox (14.70921pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 286
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Underfull \hbox (badness 10000) detected at line 338
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Underfull \hbox (badness 10000) detected at line 415
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Underfull \hbox (badness 10000) detected at line 465
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Underfull \hbox (badness 10000) detected at line 482
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Underfull \hbox (badness 10000) detected at line 507
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Underfull \hbox (badness 10000) detected at line 532
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Underfull \hbox (badness 10000) detected at line 540
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Underfull \hbox (badness 10000) detected at line 557
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Underfull \hbox (badness 10000) detected at line 582
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Underfull \hbox (badness 10000) detected at line 590
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Underfull \hbox (badness 10000) detected at line 607
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Underfull \hbox (badness 10000) detected at line 619
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Underfull \hbox (badness 10000) detected at line 660
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[87]
Underfull \hbox (badness 10000) detected at line 684
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) (./group___n_osh.tex [88] [89] [90] [91]
Underfull \hbox (badness 10000) detected at line 311
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Underfull \hbox (badness 10000) detected at line 362
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Overfull \vbox (9.96391pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 419
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Underfull \hbox (badness 10000) detected at line 448
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Underfull \hbox (badness 10000) detected at line 465
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Underfull \hbox (badness 10000) detected at line 487
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Underfull \hbox (badness 10000) detected at line 519
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Underfull \hbox (badness 10000) detected at line 536
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Underfull \hbox (badness 10000) detected at line 539
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Underfull \hbox (badness 10000) detected at line 549
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Underfull \hbox (badness 10000) detected at line 569
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Underfull \hbox (badness 10000) detected at line 579
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Underfull \hbox (badness 10000) detected at line 596
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Underfull \hbox (badness 10000) detected at line 606
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Underfull \hbox (badness 10000) detected at line 623
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Underfull \hbox (badness 10000) detected at line 633
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Underfull \hbox (badness 10000) detected at line 650
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Underfull \hbox (badness 10000) detected at line 660
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Underfull \hbox (badness 10000) detected at line 677
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Underfull \hbox (badness 10000) detected at line 687
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Underfull \hbox (badness 10000) detected at line 704
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Underfull \hbox (badness 10000) detected at line 714
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Underfull \hbox (badness 10000) detected at line 731
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Underfull \hbox (badness 10000) detected at line 741
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Underfull \hbox (badness 10000) detected at line 758
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Underfull \hbox (badness 10000) detected at line 768
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Underfull \hbox (badness 10000) detected at line 785
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Underfull \hbox (badness 10000) detected at line 795
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Underfull \hbox (badness 10000) detected at line 812
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Underfull \hbox (badness 10000) detected at line 839
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Underfull \hbox (badness 10000) detected at line 849
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Underfull \hbox (badness 10000) detected at line 866
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Underfull \hbox (badness 10000) detected at line 876
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Underfull \hbox (badness 10000) detected at line 893
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Underfull \hbox (badness 10000) detected at line 896
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Underfull \hbox (badness 10000) detected at line 906
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Underfull \hbox (badness 10000) detected at line 923
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Underfull \hbox (badness 10000) detected at line 928
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Underfull \hbox (badness 10000) detected at line 938
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Underfull \hbox (badness 10000) detected at line 955
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Underfull \hbox (badness 10000) detected at line 958
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Underfull \hbox (badness 10000) detected at line 970
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Underfull \hbox (badness 10000) detected at line 973
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Underfull \hbox (badness 10000) detected at line 990
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Underfull \hbox (badness 10000) detected at line 993
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Underfull \hbox (badness 10000) detected at line 1003
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Underfull \hbox (badness 10000) detected at line 1006
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Underfull \hbox (badness 10000) detected at line 1023
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Underfull \hbox (badness 10000) detected at line 1026
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Underfull \hbox (badness 10000) detected at line 1038
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Underfull \hbox (badness 10000) detected at line 1041
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Underfull \hbox (badness 10000) detected at line 1058
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Underfull \hbox (badness 10000) detected at line 1061
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Underfull \hbox (badness 10000) detected at line 1071
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Underfull \hbox (badness 10000) detected at line 1074
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Underfull \hbox (badness 10000) detected at line 1091
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Underfull \hbox (badness 10000) detected at line 1094
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Underfull \hbox (badness 10000) detected at line 1104
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Underfull \hbox (badness 10000) detected at line 1131
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Underfull \hbox (badness 10000) detected at line 1141
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) (./group___p_b_a_mparm.tex [105] [106]
Underfull \hbox (badness 10000) detected at line 101
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Overfull \vbox (0.4495pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 143
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Underfull \hbox (badness 10000) detected at line 168
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Underfull \hbox (badness 10000) detected at line 192
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Underfull \hbox (badness 10000) detected at line 217
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Underfull \hbox (badness 10000) detected at line 244
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Underfull \hbox (badness 10000) detected at line 266
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Underfull \hbox (badness 10000) detected at line 288
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Underfull \hbox (badness 10000) detected at line 312
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Underfull \hbox (badness 10000) detected at line 336
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Underfull \hbox (badness 10000) detected at line 384
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Underfull \hbox (badness 10000) detected at line 408
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Underfull \hbox (badness 10000) detected at line 432
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Overfull \vbox (17.70645pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 480
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Underfull \hbox (badness 10000) detected at line 504
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Overfull \vbox (17.5984pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 552
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Underfull \hbox (badness 10000) detected at line 581
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Underfull \hbox (badness 10000) detected at line 605
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) (./group___p_b_eparm.tex [115] [116]
Underfull \hbox (badness 10000) detected at line 151
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Underfull \hbox (badness 10000) detected at line 176
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Underfull \hbox (badness 10000) detected at line 200
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Underfull \hbox (badness 10000) detected at line 245
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Underfull \hbox (badness 10000) detected at line 267
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Underfull \hbox (badness 10000) detected at line 316
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Underfull \hbox (badness 10000) detected at line 343
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Underfull \hbox (badness 10000) detected at line 346
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Underfull \hbox (badness 10000) detected at line 370
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Underfull \hbox (badness 10000) detected at line 373
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) (./group___p_b_s_a_mparm.tex [120] [121]
Underfull \hbox (badness 10000) detected at line 85
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Underfull \hbox (badness 10000) detected at line 127
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Underfull \hbox (badness 10000) detected at line 152
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Underfull \hbox (badness 10000) detected at line 176
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Underfull \hbox (badness 10000) detected at line 184
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Underfull \hbox (badness 10000) detected at line 250
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Underfull \hbox (badness 10000) detected at line 296
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Underfull \hbox (badness 10000) detected at line 320
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Underfull \hbox (badness 10000) detected at line 344
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Underfull \hbox (badness 10000) detected at line 368
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Underfull \hbox (badness 10000) detected at line 380
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Underfull \hbox (badness 10000) detected at line 397
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) (./group___vacc.tex [127] [128] [129]
Underfull \hbox (badness 10000) detected at line 120
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Underfull \hbox (badness 10000) detected at line 178
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Underfull \hbox (badness 10000) detected at line 181
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Underfull \hbox (badness 10000) detected at line 184
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Underfull \hbox (badness 10000) detected at line 213
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Underfull \hbox (badness 10000) detected at line 239
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Underfull \hbox (badness 10000) detected at line 242
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Underfull \hbox (badness 10000) detected at line 254
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Underfull \hbox (badness 10000) detected at line 276
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Underfull \hbox (badness 10000) detected at line 279
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Underfull \hbox (badness 10000) detected at line 305
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Underfull \hbox (badness 10000) detected at line 308
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Underfull \hbox (badness 10000) detected at line 336
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Underfull \hbox (badness 10000) detected at line 358
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Underfull \hbox (badness 10000) detected at line 382
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Underfull \hbox (badness 10000) detected at line 388
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Underfull \hbox (badness 10000) detected at line 418
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Underfull \hbox (badness 10000) detected at line 421
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Underfull \hbox (badness 10000) detected at line 443
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Underfull \hbox (badness 10000) detected at line 446
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Underfull \hbox (badness 10000) detected at line 470
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Underfull \hbox (badness 10000) detected at line 473
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Overfull \vbox (12.33495pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 501
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Underfull \hbox (badness 10000) detected at line 504
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Underfull \hbox (badness 10000) detected at line 507
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Underfull \hbox (badness 10000) detected at line 533
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Underfull \hbox (badness 10000) detected at line 536
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Overfull \vbox (14.12279pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 566
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Underfull \hbox (badness 10000) detected at line 569
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Underfull \hbox (badness 10000) detected at line 599
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Underfull \hbox (badness 10000) detected at line 631
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Underfull \hbox (badness 10000) detected at line 663
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Underfull \hbox (badness 10000) detected at line 695
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Underfull \hbox (badness 10000) detected at line 729
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Underfull \hbox (badness 10000) detected at line 761
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Underfull \hbox (badness 10000) detected at line 791
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Underfull \hbox (badness 10000) detected at line 823
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Underfull \hbox (badness 10000) detected at line 826
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Underfull \hbox (badness 10000) detected at line 829
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Underfull \hbox (badness 10000) detected at line 853
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Underfull \hbox (badness 10000) detected at line 859
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Underfull \hbox (badness 10000) detected at line 889
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Underfull \hbox (badness 10000) detected at line 892
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Underfull \hbox (badness 10000) detected at line 912
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Underfull \hbox (badness 10000) detected at line 943
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Underfull \hbox (badness 10000) detected at line 978
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Underfull \hbox (badness 10000) detected at line 1011
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Underfull \hbox (badness 10000) detected at line 1014
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Underfull \hbox (badness 10000) detected at line 1040
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Underfull \hbox (badness 10000) detected at line 1043
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Underfull \hbox (badness 10000) detected at line 1093
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Underfull \hbox (badness 10000) detected at line 1117
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Underfull \hbox (badness 10000) detected at line 1120
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Underfull \hbox (badness 10000) detected at line 1123
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) (./group___valist.tex [146]
Underfull \hbox (badness 10000) detected at line 75
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Underfull \hbox (badness 10000) detected at line 78
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Underfull \hbox (badness 10000) detected at line 95
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Underfull \hbox (badness 10000) detected at line 120
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Underfull \hbox (badness 10000) detected at line 142
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Underfull \hbox (badness 10000) detected at line 164
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Underfull \hbox (badness 10000) detected at line 167
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Underfull \hbox (badness 10000) detected at line 191
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Underfull \hbox (badness 10000) detected at line 194
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Underfull \hbox (badness 10000) detected at line 216
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Underfull \hbox (badness 10000) detected at line 219
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Underfull \hbox (badness 10000) detected at line 241
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Underfull \hbox (badness 10000) detected at line 244
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Underfull \hbox (badness 10000) detected at line 266
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Underfull \hbox (badness 10000) detected at line 269
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Overfull \vbox (2.76398pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 291
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Underfull \hbox (badness 10000) detected at line 294
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Underfull \hbox (badness 10000) detected at line 316
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Underfull \hbox (badness 10000) detected at line 336
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Underfull \hbox (badness 10000) detected at line 339
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Underfull \hbox (badness 10000) detected at line 361
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Underfull \hbox (badness 10000) detected at line 364
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Underfull \hbox (badness 10000) detected at line 367
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Underfull \hbox (badness 10000) detected at line 393
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Underfull \hbox (badness 10000) detected at line 396
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Underfull \hbox (badness 10000) detected at line 399
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Underfull \hbox (badness 10000) detected at line 427
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Underfull \hbox (badness 10000) detected at line 430
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Underfull \hbox (badness 10000) detected at line 433
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) (./group___vatom.tex [153] [154]
Underfull \hbox (badness 10000) detected at line 98
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Underfull \hbox (badness 10000) detected at line 118
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Underfull \hbox (badness 10000) detected at line 142
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Underfull \hbox (badness 10000) detected at line 169
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Underfull \hbox (badness 10000) detected at line 186
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Underfull \hbox (badness 10000) detected at line 194
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Underfull \hbox (badness 10000) detected at line 233
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Underfull \hbox (badness 10000) detected at line 255
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Underfull \hbox (badness 10000) detected at line 263
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Underfull \hbox (badness 10000) detected at line 280
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Underfull \hbox (badness 10000) detected at line 329
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Underfull \hbox (badness 10000) detected at line 337
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Underfull \hbox (badness 10000) detected at line 354
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Underfull \hbox (badness 10000) detected at line 362
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Underfull \hbox (badness 10000) detected at line 379
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Underfull \hbox (badness 10000) detected at line 387
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Underfull \hbox (badness 10000) detected at line 404
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Underfull \hbox (badness 10000) detected at line 412
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Underfull \hbox (badness 10000) detected at line 429
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Underfull \hbox (badness 10000) detected at line 453
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Underfull \hbox (badness 10000) detected at line 461
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Underfull \hbox (badness 10000) detected at line 478
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Underfull \hbox (badness 10000) detected at line 502
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Underfull \hbox (badness 10000) detected at line 526
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Underfull \hbox (badness 10000) detected at line 574
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Underfull \hbox (badness 10000) detected at line 598
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Underfull \hbox (badness 10000) detected at line 622
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Underfull \hbox (badness 10000) detected at line 646
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) (./group___vcap.tex [163]
Underfull \hbox (badness 10000) detected at line 38
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Underfull \hbox (badness 10000) detected at line 57
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Underfull \hbox (badness 10000) detected at line 60
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Underfull \hbox (badness 10000) detected at line 63
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Underfull \hbox (badness 10000) detected at line 90
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Underfull \hbox (badness 10000) detected at line 93
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Underfull \hbox (badness 10000) detected at line 96
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Underfull \hbox (badness 10000) detected at line 123
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Underfull \hbox (badness 10000) detected at line 126
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Underfull \hbox (badness 10000) detected at line 129
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) (./group___vclist.tex [166]
Underfull \hbox (badness 10000) detected at line 84
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Underfull \hbox (badness 10000) detected at line 114
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Underfull \hbox (badness 10000) detected at line 117
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Underfull \hbox (badness 10000) detected at line 149
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Underfull \hbox (badness 10000) detected at line 208
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Underfull \hbox (badness 10000) detected at line 230
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Underfull \hbox (badness 10000) detected at line 282
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Underfull \hbox (badness 10000) detected at line 332
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Overfull \vbox (1.7977pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 359
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Underfull \hbox (badness 10000) detected at line 381
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) (./group___vgreen.tex [172]
Underfull \hbox (badness 10000) detected at line 58
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Underfull \hbox (badness 10000) detected at line 61
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Underfull \hbox (badness 10000) detected at line 125
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Underfull \hbox (badness 10000) detected at line 162
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Overfull \vbox (28.4242pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 180
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Underfull \hbox (badness 10000) detected at line 242
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Underfull \hbox (badness 10000) detected at line 291
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Underfull \hbox (badness 10000) detected at line 308
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Underfull \hbox (badness 10000) detected at line 357
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Underfull \hbox (badness 10000) detected at line 379
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Underfull \hbox (badness 10000) detected at line 413
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Underfull \hbox (badness 10000) detected at line 433
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Underfull \hbox (badness 10000) detected at line 459
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Underfull \hbox (badness 10000) detected at line 483
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Underfull \hbox (badness 10000) detected at line 500
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Underfull \hbox (badness 10000) detected at line 508
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) (./group___vhal.tex [181] [182] [183]
Underfull \hbox (badness 10000) detected at line 251
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Underfull \hbox (badness 10000) detected at line 285
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[]                                                                        \T1/p
cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 1462--1462
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[297]
Underfull \hbox (badness 10000) detected at line 1499
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 1598--1598
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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Underfull \hbox (badness 10000) detected at line 1635
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 1893--1893
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[304]
Underfull \hbox (badness 10000) detected at line 1930
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1945--1945
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[305]
Underfull \hbox (badness 10000) detected at line 2031
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[307]
Underfull \hbox (badness 10000) detected at line 2121
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 2168
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[311]
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
Underfull \hbox (badness 10000) detected at line 2365
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[312]
Underfull \hbox (badness 10000) detected at line 2412
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 2602
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
Underfull \hbox (badness 10000) detected at line 2797
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[319]
Underfull \hbox (badness 10000) detected at line 2844
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
Underfull \hbox (badness 10000) detected at line 3097
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[324]
Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 3144
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[325]
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 3201--3201
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[326]
Underfull \hbox (badness 10000) detected at line 3238
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[327]
Underfull \hbox (badness 10000) detected at line 3286
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[333]
Underfull \hbox (badness 10000) detected at line 3636
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[334]
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 3904--3904
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
Underfull \hbox (badness 10000) detected at line 4085
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[341]
Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 4135
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
Underfull \hbox (badness 10000) detected at line 4583
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[350]
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Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782
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ated by Battelle Memorial Institute,[] 
Underfull \hbox (badness 10000) detected at line 4820
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[354]
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 4979--4979
 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper
ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
Underfull \hbox (badness 10000) detected at line 5016
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[357]
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[][][]
) (./group___frontend.tex
Underfull \hbox (badness 2495) in paragraph at lines 34--35
[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS
/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, []
[362]
Overfull \hbox (16.65858pt too wide) in paragraph at lines 42--43
[]\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10
 ^^C$\T1/phv/m/n/10 diel[]YMap[][][],
Overfull \hbox (16.91972pt too wide) in paragraph at lines 44--45
[]\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh
, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1
0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][],
Underfull \hbox (badness 1910) in paragraph at lines 62--63
[] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1
/phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][]
[], []
Underfull \hbox (badness 1237) in paragraph at lines 62--63
\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C
$\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], 
[]
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Underfull \hbox (badness 5817) in paragraph at lines 80--81
\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
Underfull \hbox (badness 5817) in paragraph at lines 82--83
\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
[364]
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\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv
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[]\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
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LaTeX Warning: There were undefined references.
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(see the transcript file for additional information)pdfTeX warning (dest): name
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Output written on refman.pdf (1290 pages, 4578058 bytes).
Transcript written on refman.log.
make[3]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/latex'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 55%] Built target doc-pdf
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 56%] Building C object tools/mesh/CMakeFiles/mgmesh.dir/mgmesh.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mgmesh.c:10:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 57%] Linking C executable ../bin/mgmesh
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 57%] Built target mgmesh
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 58%] Building C object tools/mesh/CMakeFiles/smooth.dir/smooth.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/smooth.c:13:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/smooth.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/smooth.c:163:8: warning: 'format' may be used uninitialized [-Wmaybe-uninitialized]
  163 |     if (format == VDF_DX) {
      |        ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/smooth.c:66:18: note: 'format' was declared here
   66 |     Vdata_Format format; int gotFormat = 0;
      |                  ^~~~~~
[ 59%] Linking C executable ../bin/smooth
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 59%] Built target smooth
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 60%] Building C object tools/mesh/CMakeFiles/dxmath.dir/dxmath.c.o
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dxmath.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dxmath.c:41:10: warning: unused variable 'format' [-Wunused-variable]
   41 |     char format[VMAX_BUFSIZE];
      |          ^~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dxmath.c:13:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 62%] Linking C executable ../bin/dxmath
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 62%] Built target dxmath
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 63%] Building C object tools/mesh/CMakeFiles/mergedx.dir/mergedx.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:8:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:81:13: warning: 'nx' may be used uninitialized [-Wmaybe-uninitialized]
   81 |     mgrid = Vgrid_ctor(nx, ny, nz, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, VNULL);
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:29:9: note: 'nx' was declared here
   29 |     int nx, ny, nz, count, numfnams;
      |         ^~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:81:13: warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized]
   81 |     mgrid = Vgrid_ctor(nx, ny, nz, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, VNULL);
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:29:17: note: 'nz' was declared here
   29 |     int nx, ny, nz, count, numfnams;
      |                 ^~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:81:13: warning: 'ny' may be used uninitialized [-Wmaybe-uninitialized]
   81 |     mgrid = Vgrid_ctor(nx, ny, nz, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, VNULL);
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:29:13: note: 'ny' was declared here
   29 |     int nx, ny, nz, count, numfnams;
      |             ^~
[ 64%] Linking C executable ../bin/mergedx
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 64%] Built target mergedx
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 65%] Building C object tools/mesh/CMakeFiles/mergedx2.dir/mergedx2.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx2.c:8:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 66%] Linking C executable ../bin/mergedx2
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 66%] Built target mergedx2
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 67%] Building C object tools/mesh/CMakeFiles/value.dir/value.c.o
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/value.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/value.c:37:9: warning: unused variable 'inorm' [-Wunused-variable]
   37 |     int inorm;
      |         ^~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/value.c:8:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 68%] Linking C executable ../bin/value
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 68%] Built target value
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 70%] Building C object tools/mesh/CMakeFiles/multivalue.dir/multivalue.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/multivalue.c:46:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 71%] Linking C executable ../bin/multivalue
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 71%] Built target multivalue
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 72%] Building C object tools/mesh/CMakeFiles/benchmark.dir/benchmark.c.o
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:28:12: warning: unused variable 'grid' [-Wunused-variable]
   28 |     Vgrid *grid;
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:58: warning: unused variable 'sum' [-Wunused-variable]
   18 |     double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp;
      |                                                          ^~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:51: warning: unused variable 'value' [-Wunused-variable]
   18 |     double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp;
      |                                                   ^~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:44: warning: unused variable 'pt' [-Wunused-variable]
   18 |     double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp;
      |                                            ^~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:38: warning: variable 'zmin' set but not used [-Wunused-but-set-variable]
   18 |     double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp;
      |                                      ^~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:32: warning: variable 'ymin' set but not used [-Wunused-but-set-variable]
   18 |     double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp;
      |                                ^~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:26: warning: variable 'xmin' set but not used [-Wunused-but-set-variable]
   18 |     double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp;
      |                          ^~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:20: warning: variable 'hzed' set but not used [-Wunused-but-set-variable]
   18 |     double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp;
      |                    ^~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:16: warning: variable 'hx' set but not used [-Wunused-but-set-variable]
   18 |     double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp;
      |                ^~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:12: warning: variable 'hy' set but not used [-Wunused-but-set-variable]
   18 |     double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp;
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:17:27: warning: unused variable 'k' [-Wunused-variable]
   17 |     int nx, ny, nz, i, j, k, itmp;
      |                           ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:17:24: warning: unused variable 'j' [-Wunused-variable]
   17 |     int nx, ny, nz, i, j, k, itmp;
      |                        ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:17:21: warning: unused variable 'i' [-Wunused-variable]
   17 |     int nx, ny, nz, i, j, k, itmp;
      |                     ^
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:8:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 73%] Linking C executable ../bin/benchmark
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 73%] Built target benchmark
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 74%] Building C object tools/mesh/CMakeFiles/similarity.dir/similarity.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:13:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:298:13: warning: 'strncpy' specified bound 1024 equals destination size [-Wstringop-truncation]
  298 |             strncpy(scalar1Path, tstr, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:305:13: warning: 'strncpy' specified bound 1024 equals destination size [-Wstringop-truncation]
  305 |             strncpy(scalar2Path, tstr, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:312:13: warning: 'strncpy' specified bound 1024 equals destination size [-Wstringop-truncation]
  312 |             strncpy(transformPath, tstr, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:322:13: warning: 'strncpy' specified bound 1024 equals destination size [-Wstringop-truncation]
  322 |             strncpy(mask1Path, tstr, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:329:13: warning: 'strncpy' specified bound 1024 equals destination size [-Wstringop-truncation]
  329 |             strncpy(mask2Path, tstr, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:352:17: warning: 'format' may be used uninitialized [-Wmaybe-uninitialized]
  352 |                 Vnm_print(2, "Error!  Unknown format (%d)!\n", format);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:270:18: note: 'format' was declared here
  270 |     Vdata_Format format;
      |                  ^~~~~~
[ 75%] Linking C executable ../bin/similarity
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 75%] Built target similarity
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 77%] Building C object tools/mesh/CMakeFiles/analysis.dir/analysis.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:14:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:123:13: warning: 'strncpy' specified bound 1024 equals destination size [-Wstringop-truncation]
  123 |             strncpy(scalarPath, tstr, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:133:13: warning: 'strncpy' specified bound 1024 equals destination size [-Wstringop-truncation]
  133 |             strncpy(maskPath, tstr, VMAX_ARGLEN);
      |             ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:292:5: warning: 'minG2pt[2]' may be used uninitialized [-Wmaybe-uninitialized]
  292 |     Vnm_print(1, "Min gradient-squared value location      = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  293 |             minG2pt[0], minG2pt[1], minG2pt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:36: note: 'minG2pt[2]' was declared here
   86 |     double minS, minSpt[3], minG2, minG2pt[3];
      |                                    ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:292:5: warning: 'minG2pt[1]' may be used uninitialized [-Wmaybe-uninitialized]
  292 |     Vnm_print(1, "Min gradient-squared value location      = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  293 |             minG2pt[0], minG2pt[1], minG2pt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:36: note: 'minG2pt[1]' was declared here
   86 |     double minS, minSpt[3], minG2, minG2pt[3];
      |                                    ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:292:5: warning: 'minG2pt[0]' may be used uninitialized [-Wmaybe-uninitialized]
  292 |     Vnm_print(1, "Min gradient-squared value location      = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  293 |             minG2pt[0], minG2pt[1], minG2pt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:36: note: 'minG2pt[0]' was declared here
   86 |     double minS, minSpt[3], minG2, minG2pt[3];
      |                                    ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:284:5: warning: 'minSpt[2]' may be used uninitialized [-Wmaybe-uninitialized]
  284 |     Vnm_print(1, "Min scalar value location                = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  285 |             minSpt[0], minSpt[1], minSpt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:18: note: 'minSpt[2]' was declared here
   86 |     double minS, minSpt[3], minG2, minG2pt[3];
      |                  ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:284:5: warning: 'minSpt[1]' may be used uninitialized [-Wmaybe-uninitialized]
  284 |     Vnm_print(1, "Min scalar value location                = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  285 |             minSpt[0], minSpt[1], minSpt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:18: note: 'minSpt[1]' was declared here
   86 |     double minS, minSpt[3], minG2, minG2pt[3];
      |                  ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:284:5: warning: 'minSpt[0]' may be used uninitialized [-Wmaybe-uninitialized]
  284 |     Vnm_print(1, "Min scalar value location                = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  285 |             minSpt[0], minSpt[1], minSpt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:18: note: 'minSpt[0]' was declared here
   86 |     double minS, minSpt[3], minG2, minG2pt[3];
      |                  ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:288:5: warning: 'maxG2pt[2]' may be used uninitialized [-Wmaybe-uninitialized]
  288 |     Vnm_print(1, "Max gradient-squared value location      = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  289 |             maxG2pt[0], maxG2pt[1], maxG2pt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:36: note: 'maxG2pt[2]' was declared here
   85 |     double maxS, maxSpt[3], maxG2, maxG2pt[3];
      |                                    ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:280:5: warning: 'maxSpt[0]' may be used uninitialized [-Wmaybe-uninitialized]
  280 |     Vnm_print(1, "Max scalar value location                = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  281 |             maxSpt[0], maxSpt[1], maxSpt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:18: note: 'maxSpt[0]' was declared here
   85 |     double maxS, maxSpt[3], maxG2, maxG2pt[3];
      |                  ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:288:5: warning: 'maxG2pt[1]' may be used uninitialized [-Wmaybe-uninitialized]
  288 |     Vnm_print(1, "Max gradient-squared value location      = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  289 |             maxG2pt[0], maxG2pt[1], maxG2pt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:36: note: 'maxG2pt[1]' was declared here
   85 |     double maxS, maxSpt[3], maxG2, maxG2pt[3];
      |                                    ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:288:5: warning: 'maxG2pt[0]' may be used uninitialized [-Wmaybe-uninitialized]
  288 |     Vnm_print(1, "Max gradient-squared value location      = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  289 |             maxG2pt[0], maxG2pt[1], maxG2pt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:36: note: 'maxG2pt[0]' was declared here
   85 |     double maxS, maxSpt[3], maxG2, maxG2pt[3];
      |                                    ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:280:5: warning: 'maxSpt[2]' may be used uninitialized [-Wmaybe-uninitialized]
  280 |     Vnm_print(1, "Max scalar value location                = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  281 |             maxSpt[0], maxSpt[1], maxSpt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:18: note: 'maxSpt[2]' was declared here
   85 |     double maxS, maxSpt[3], maxG2, maxG2pt[3];
      |                  ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:280:5: warning: 'maxSpt[1]' may be used uninitialized [-Wmaybe-uninitialized]
  280 |     Vnm_print(1, "Max scalar value location                = (%4.3f, %4.3f, %4.3f)\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  281 |             maxSpt[0], maxSpt[1], maxSpt[2]);
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:18: note: 'maxSpt[1]' was declared here
   85 |     double maxS, maxSpt[3], maxG2, maxG2pt[3];
      |                  ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:290:5: warning: 'minG2' may be used uninitialized [-Wmaybe-uninitialized]
  290 |     Vnm_print(1, "Min gradient-squared value               = %1.12E\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  291 |             minG2);
      |             ~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:29: note: 'minG2' was declared here
   86 |     double minS, minSpt[3], minG2, minG2pt[3];
      |                             ^~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:286:5: warning: 'maxG2' may be used uninitialized [-Wmaybe-uninitialized]
  286 |     Vnm_print(1, "Max gradient-squared value               = %1.12E\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  287 |             maxG2);
      |             ~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:29: note: 'maxG2' was declared here
   85 |     double maxS, maxSpt[3], maxG2, maxG2pt[3];
      |                             ^~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:278:5: warning: 'maxS' may be used uninitialized [-Wmaybe-uninitialized]
  278 |     Vnm_print(1, "Max scalar value                         = %1.12E\n",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  279 |             maxS);
      |             ~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:12: note: 'maxS' was declared here
   85 |     double maxS, maxSpt[3], maxG2, maxG2pt[3];
      |            ^~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:156:17: warning: 'format' may be used uninitialized [-Wmaybe-uninitialized]
  156 |                 Vnm_print(2, "Error!  Unknown format (%d)!\n", format);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:95:18: note: 'format' was declared here
   95 |     Vdata_Format format;
      |                  ^~~~~~
[ 78%] Linking C executable ../bin/analysis
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 78%] Built target analysis
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 79%] Building C object tools/mesh/CMakeFiles/dx2mol.dir/dx2mol.c.o
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2mol.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2mol.c:28:12: warning: unused variable 'avg' [-Wunused-variable]
   28 |     double avg;
      |            ^~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2mol.c:19:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 80%] Linking C executable ../bin/dx2mol
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 80%] Built target dx2mol
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 81%] Building C object tools/mesh/CMakeFiles/dx2uhbd.dir/dx2uhbd.c.o
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:25:10: warning: unused variable 'avg' [-Wunused-variable]
   25 |   double avg;
      |          ^~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:24:19: warning: unused variable 'k' [-Wunused-variable]
   24 |   size_t u, i, j, k, nx, ny, nz;
      |                   ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:24:16: warning: unused variable 'j' [-Wunused-variable]
   24 |   size_t u, i, j, k, nx, ny, nz;
      |                ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:24:13: warning: unused variable 'i' [-Wunused-variable]
   24 |   size_t u, i, j, k, nx, ny, nz;
      |             ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:24:10: warning: unused variable 'u' [-Wunused-variable]
   24 |   size_t u, i, j, k, nx, ny, nz;
      |          ^
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:17:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 82%] Linking C executable ../bin/dx2uhbd
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 82%] Built target dx2uhbd
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 83%] Building C object tools/mesh/CMakeFiles/del2dx.dir/del2dx.c.o
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:45:64: warning: variable 'extent' set but not used [-Wunused-but-set-variable]
   45 |         float val, xmax, scale, oldmid[3], temp, xdata, range, extent, origin[3], delta[3];
      |                                                                ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:45:50: warning: unused variable 'xdata' [-Wunused-variable]
   45 |         float val, xmax, scale, oldmid[3], temp, xdata, range, extent, origin[3], delta[3];
      |                                                  ^~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:45:15: warning: unused variable 'val' [-Wunused-variable]
   45 |         float val, xmax, scale, oldmid[3], temp, xdata, range, extent, origin[3], delta[3];
      |               ^~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:16:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:76:9: warning: ignoring return value of 'fread' declared with attribute 'warn_unused_result' [-Wunused-result]
   76 |         fread(&igrid, 1, sizeof(int), pfile);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:89:9: warning: ignoring return value of 'fread' declared with attribute 'warn_unused_result' [-Wunused-result]
   89 |         fread(buffer, 1, sizeof(char) * 10, pfile);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:97:9: warning: ignoring return value of 'fread' declared with attribute 'warn_unused_result' [-Wunused-result]
   97 |         fread(data, tot_grid, sizeof(float), pfile);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:103:9: warning: ignoring return value of 'fread' declared with attribute 'warn_unused_result' [-Wunused-result]
  103 |         fread(&scale, 1, sizeof(float), pfile);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:106:9: warning: ignoring return value of 'fread' declared with attribute 'warn_unused_result' [-Wunused-result]
  106 |         fread(oldmid, 3, sizeof(float), pfile);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 85%] Linking C executable ../bin/del2dx
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 85%] Built target del2dx
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 86%] Building C object tools/mesh/CMakeFiles/tensor2dx.dir/tensor2dx.c.o
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:42:19: warning: unused variable 'index' [-Wunused-variable]
   42 |         int i,j,k,index,icol;
      |                   ^~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:42:17: warning: unused variable 'k' [-Wunused-variable]
   42 |         int i,j,k,index,icol;
      |                 ^
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:42:15: warning: unused variable 'j' [-Wunused-variable]
   42 |         int i,j,k,index,icol;
      |               ^
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:14:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:97:9: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   97 |         fscanf(pfile1,"%lf %lf %lf",&origin_xyz[0],&origin_xyz[1],&origin_xyz[2]);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:98:9: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   98 |         fscanf(pfile1,"%lf %lf %lf",&gspace[0],&gspace[1],&gspace[2]);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:137:17: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  137 |                 fscanf(pfile2,"%i %i %i",&itmp[0],&itmp[1],&itmp[2]);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:138:17: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  138 |                 fscanf(pfile2,"%lf %lf %lf",&datapt[0],&tmp[1],&tmp[2]);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:139:17: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  139 |                 fscanf(pfile2,"%lf %lf %lf",&tmp[0],&datapt[1],&tmp[2]);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:140:17: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  140 |                 fscanf(pfile2,"%lf %lf %lf",&tmp[0],&tmp[1],&datapt[2]);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:155:17: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  155 |                 fscanf(pfile2,"%i %i %i",&itmp[0],&itmp[1],&itmp[2]);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:156:17: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  156 |                 fscanf(pfile2,"%lf %lf %lf",&datapt[0],&tmp[1],&tmp[2]);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:157:17: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  157 |                 fscanf(pfile2,"%lf %lf %lf",&tmp[0],&datapt[1],&tmp[2]);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:158:17: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  158 |                 fscanf(pfile2,"%lf %lf %lf",&tmp[0],&tmp[1],&datapt[2]);
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 87%] Linking C executable ../bin/tensor2dx
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 87%] Built target tensor2dx
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 88%] Building C object tools/mesh/CMakeFiles/uhbd_asc2bin.dir/uhbd_asc2bin.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:93,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:3:
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable 'dz_grid' [-Wunused-variable]
   79 |     int dz_##mat = dz
      |         ^~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:24:5: note: in expansion of macro 'MAT3'
   24 |     MAT3(grid, MXGRD, MXGRD, MXGRD);
      |     ^~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:30:5: warning: ignoring return value of 'scanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   30 |     scanf("%s", flnm);
      |     ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:42:5: warning: ignoring return value of 'scanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   42 |     scanf("%s", newfile);
      |     ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:54:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   54 |     fscanf(inFile, "%s", title);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:57:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   57 |     fscanf(inFile, "%lf", &scale);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:60:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   60 |     fscanf(inFile, "%lf", &dum2);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:63:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   63 |     fscanf(inFile, "%d", &grdflg);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:66:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   66 |     fscanf(inFile, "%d", &idum2);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:69:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   69 |     fscanf(inFile, "%d", &km);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:72:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   72 |     fscanf(inFile, "%d", &one);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:75:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   75 |     fscanf(inFile, "%d", &km);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:78:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   78 |     fscanf(inFile, "%d", &im);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:81:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   81 |     fscanf(inFile, "%d", &jm);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:84:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   84 |     fscanf(inFile, "%d", &km);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:87:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   87 |     fscanf(inFile, "%lf", &h);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:90:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   90 |     fscanf(inFile, "%lf", &ox);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:93:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   93 |     fscanf(inFile, "%lf", &oy);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:96:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   96 |     fscanf(inFile, "%lf", &oz);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:99:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
   99 |     fscanf(inFile, "%lf", &dum3);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:102:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  102 |     fscanf(inFile, "%lf", &dum4);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:105:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  105 |     fscanf(inFile, "%lf", &dum5);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:108:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  108 |     fscanf(inFile, "%lf", &dum6);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:111:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  111 |     fscanf(inFile, "%lf", &dum7);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:114:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  114 |     fscanf(inFile, "%lf", &dum8);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:117:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  117 |     fscanf(inFile, "%d", &idum3);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:120:5: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  120 |     fscanf(inFile, "%d", &idum4);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:125:9: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  125 |         fscanf(inFile, "%d", &kk);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:128:9: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  128 |         fscanf(inFile, "%d", &im);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:131:9: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  131 |         fscanf(inFile, "%d", &jm);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:138:17: warning: ignoring return value of 'fscanf' declared with attribute 'warn_unused_result' [-Wunused-result]
  138 |                 fscanf(inFile, "%lf", RAT3(grid, i, j, k));
      |                 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 89%] Linking C executable ../bin/uhbd_asc2bin
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 89%] Built target uhbd_asc2bin
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 90%] Building C object tools/manip/CMakeFiles/coulomb.dir/coulomb.c.o
/builddir/build/BUILD/apbs-3.0.0/tools/manip/coulomb.c: In function 'main':
/builddir/build/BUILD/apbs-3.0.0/tools/manip/coulomb.c:20:12: warning: unused variable 'j' [-Wunused-variable]
   20 |     int i, j;
      |            ^
/builddir/build/BUILD/apbs-3.0.0/tools/manip/coulomb.c:18:34: warning: unused variable 'disp' [-Wunused-variable]
   18 |     double *pos, energy, zmagic, disp[3], force[3];
      |                                  ^~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/manip/coulomb.c:8:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 91%] Linking C executable ../bin/coulomb
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 91%] Built target coulomb
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 93%] Building C object tools/manip/CMakeFiles/born.dir/born.c.o
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/tools/manip/born.c:8:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 94%] Linking C executable ../bin/born
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 94%] Built target born
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Scanning dependencies of target apbslib_swig_compilation
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 95%] Swig compile apbslib.i for python
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 95%] Built target apbslib_swig_compilation
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 96%] Building C object tools/python/CMakeFiles/_apbslib.dir/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c.o
/builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c: In function 'getPotentials':
/builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:3264:12: warning: unused variable 'rc' [-Wunused-variable]
 3264 |     int i, rc, nx, ny, nz;
      |            ^~
/builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c: In function 'getForces':
/builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:3318:31: warning: unused variable 'npholder' [-Wunused-variable]
 3318 |     PyObject *npvalues, *np, *npholder;
      |                               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:3318:26: warning: unused variable 'np' [-Wunused-variable]
 3318 |     PyObject *npvalues, *np, *npholder;
      |                          ^~
/builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:3318:15: warning: unused variable 'npvalues' [-Wunused-variable]
 3318 |     PyObject *npvalues, *np, *npholder;
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/src/routines.h:64,
                 from /builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:2727:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
[ 97%] Linking C shared library ../../lib/_apbslib.so
/builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function 'initAPOL':
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:267:26: note: in a call to function 'Vparam_getAtomData'
  267 | VPUBLIC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                          ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:267:26: note: in a call to function 'Vparam_getAtomData'
  267 | VPUBLIC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                          ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4590 |         atomData = Vparam_getAtomData(param, "WAT", "OW");
      |                    ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:267:26: note: in a call to function 'Vparam_getAtomData'
  267 | VPUBLIC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                          ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=]
 4591 |         if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O");
      |                                           ^
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: 'Vparam_getAtomData' accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=]
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type 'char[1024]'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:267:26: note: in a call to function 'Vparam_getAtomData'
  267 | VPUBLIC Vparam_AtomData* Vparam_getAtomData(Vparam *thee,
      |                          ^
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 97%] Built target _apbslib
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 98%] Building C object contrib/iapbs/src/CMakeFiles/iapbs.dir/apbs_driver.c.o
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:57:21: warning: argument 23 of type 'double[1]' with mismatched bound [-Warray-parameter=]
   57 |              double esenergy[1],
      |              ~~~~~~~^~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:19:
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.h:173:30: note: previously declared as 'double[20]'
  173 |                       double esEnergy[NOSH_MAXCALC],
      |                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:58:21: warning: argument 24 of type 'double[1]' with mismatched bound [-Warray-parameter=]
   58 |              double npenergy[1],
      |              ~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.h:174:30: note: previously declared as 'double[20]'
  174 |                       double npEnergy[NOSH_MAXCALC],
      |                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function 'apbsdrv_':
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:278:5: warning: multi-line comment [-Wcomment]
  278 |     //  Vnm_print(1,"\nError you must provide a parameter file if you\n" \
      |     ^
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:110:21: warning: unused variable 'isolve' [-Wunused-variable]
  110 |     int rank, size, isolve, debug, natom;
      |                     ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:98:11: warning: unused variable 'gm' [-Wunused-variable]
   98 |     void *gm[NOSH_MAXMOL];
      |           ^~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:97:11: warning: variable 'fetk' set but not used [-Wunused-but-set-variable]
   97 |     void *fetk[NOSH_MAXCALC];
      |           ^~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:85:14: warning: unused variable 'feparm' [-Wunused-variable]
   85 |     FEMparm *feparm = VNULL;
      |              ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function 'setupString':
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:938:64: warning: implicit declaration of function 'getpid' [-Wimplicit-function-declaration]
  938 |       sprintf(string, "%swrite pot dx iapbs-pot-%d\n", string, getpid());
      |                                                                ^~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70,
                 from /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:11:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level:
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: 'GEOFLOWparm_parseVDW' declared 'static' but never defined [-Wunused-function]
  169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: 'GEOFLOWparm_parseETOL' declared 'static' but never defined [-Wunused-function]
  171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: 'PBAMparm_parseSalt' declared 'static' but never defined [-Wunused-function]
  251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: 'PBAMparm_parseRunType' declared 'static' but never defined [-Wunused-function]
  260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: 'PBAMparm_parseRunName' declared 'static' but never defined [-Wunused-function]
  269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: 'PBAMparm_parseRandorient' declared 'static' but never defined [-Wunused-function]
  278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: 'PBAMparm_parsePBCS' declared 'static' but never defined [-Wunused-function]
  287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: 'PBAMparm_parseUnits' declared 'static' but never defined [-Wunused-function]
  296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: 'PBAMparm_parse3Dmap' declared 'static' but never defined [-Wunused-function]
  305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: 'PBAMparm_parseGrid2D' declared 'static' but never defined [-Wunused-function]
  314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: 'PBAMparm_parseDX' declared 'static' but never defined [-Wunused-function]
  323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: 'PBAMparm_parseGridPts' declared 'static' but never defined [-Wunused-function]
  332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: 'PBAMparm_parseTermcombine' declared 'static' but never defined [-Wunused-function]
  341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: 'PBAMparm_parseDiff' declared 'static' but never defined [-Wunused-function]
  350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: 'PBAMparm_parseXYZ' declared 'static' but never defined [-Wunused-function]
  359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79:
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: 'PBSAMparm_parseTolsp' declared 'static' but never defined [-Wunused-function]
  199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: 'PBSAMparm_parseSurf' declared 'static' but never defined [-Wunused-function]
  208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: 'PBSAMparm_parseImat' declared 'static' but never defined [-Wunused-function]
  217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: 'PBSAMparm_parseExp' declared 'static' but never defined [-Wunused-function]
  226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: 'PBSAMparm_parseMSMS' declared 'static' but never defined [-Wunused-function]
  235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock);
      |                    ^~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93:
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: 'bcolcomp' declared 'static' but never defined [-Wunused-function]
  811 | VPRIVATE void bcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: 'bcolcomp2' declared 'static' but never defined [-Wunused-function]
  834 | VPRIVATE void bcolcomp2(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: 'bcolcomp3' declared 'static' but never defined [-Wunused-function]
  863 | VPRIVATE void bcolcomp3(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: 'bcolcomp4' declared 'static' but never defined [-Wunused-function]
  885 | VPRIVATE void bcolcomp4(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: 'pcolcomp' declared 'static' but never defined [-Wunused-function]
  910 | VPRIVATE void pcolcomp(
      |               ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: 'bspline2' declared 'static' but never defined [-Wunused-function]
  933 | VPRIVATE double bspline2(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: 'dbspline2' declared 'static' but never defined [-Wunused-function]
  942 | VPRIVATE double dbspline2(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: 'VFCHI4' declared 'static' but never defined [-Wunused-function]
  951 | VPRIVATE double VFCHI4(
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: 'bspline4' declared 'static' but never defined [-Wunused-function]
  961 | VPRIVATE double bspline4(
      |                 ^~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: 'dbspline4' declared 'static' but never defined [-Wunused-function]
  970 | VPRIVATE double dbspline4(
      |                 ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: 'd2bspline4' declared 'static' but never defined [-Wunused-function]
  979 | VPRIVATE double d2bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: 'd3bspline4' declared 'static' but never defined [-Wunused-function]
  988 | VPRIVATE double d3bspline4(
      |                 ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: 'Vpmg_polarizEnergy' declared 'static' but never defined [-Wunused-function]
  998 | VPRIVATE double Vpmg_polarizEnergy(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: 'Vpmg_qfEnergyPoint' declared 'static' but never defined [-Wunused-function]
 1009 | VPRIVATE double Vpmg_qfEnergyPoint(
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: 'Vpmg_qfEnergyVolume' declared 'static' but never defined [-Wunused-function]
 1020 | VPRIVATE double Vpmg_qfEnergyVolume(
      |                 ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: 'Vpmg_splineSelect' declared 'static' but never defined [-Wunused-function]
 1031 | VPRIVATE void Vpmg_splineSelect(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: 'focusFillBound' declared 'static' but never defined [-Wunused-function]
 1047 | VPRIVATE void focusFillBound(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: 'bcfl1' declared 'static' but never defined [-Wunused-function]
 1058 | VPRIVATE void bcfl1(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: 'bcfl2' declared 'static' but never defined [-Wunused-function]
 1080 | VPRIVATE void bcfl2(
      |               ^~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: 'multipolebc' declared 'static' but never defined [-Wunused-function]
 1109 | VPRIVATE void multipolebc(
      |               ^~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: 'bcfl1sp' declared 'static' but never defined [-Wunused-function]
 1126 | VPRIVATE double bcfl1sp(
      |                 ^~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: 'bcCalc' declared 'static' but never defined [-Wunused-function]
 1139 | VPRIVATE void bcCalc(
      |               ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: 'fillcoCoef' declared 'static' but never defined [-Wunused-function]
 1147 | VPRIVATE void fillcoCoef(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: 'fillcoCoefMap' declared 'static' but never defined [-Wunused-function]
 1155 | VPRIVATE void fillcoCoefMap(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: 'fillcoCoefMol' declared 'static' but never defined [-Wunused-function]
 1164 | VPRIVATE void fillcoCoefMol(
      |               ^~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: 'fillcoCoefMolIon' declared 'static' but never defined [-Wunused-function]
 1173 | VPRIVATE void fillcoCoefMolIon(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: 'fillcoCoefMolDiel' declared 'static' but never defined [-Wunused-function]
 1182 | VPRIVATE void fillcoCoefMolDiel(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: 'fillcoCoefMolDielNoSmooth' declared 'static' but never defined [-Wunused-function]
 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: 'fillcoCoefMolDielSmooth' declared 'static' but never defined [-Wunused-function]
 1208 | VPRIVATE void fillcoCoefMolDielSmooth(
      |               ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: 'fillcoCoefSpline' declared 'static' but never defined [-Wunused-function]
 1217 | VPRIVATE void fillcoCoefSpline(
      |               ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: 'fillcoCoefSpline3' declared 'static' but never defined [-Wunused-function]
 1226 | VPRIVATE void fillcoCoefSpline3(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: 'fillcoCoefSpline4' declared 'static' but never defined [-Wunused-function]
 1235 | VPRIVATE void fillcoCoefSpline4(
      |               ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: 'fillcoCharge' declared 'static' but never defined [-Wunused-function]
 1244 | VPRIVATE Vrc_Codes fillcoCharge(
      |                    ^~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: 'fillcoChargeMap' declared 'static' but never defined [-Wunused-function]
 1253 | VPRIVATE Vrc_Codes fillcoChargeMap(
      |                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: 'fillcoChargeSpline1' declared 'static' but never defined [-Wunused-function]
 1261 | VPRIVATE void fillcoChargeSpline1(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: 'fillcoChargeSpline2' declared 'static' but never defined [-Wunused-function]
 1269 | VPRIVATE void fillcoChargeSpline2(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: 'fillcoPermanentMultipole' declared 'static' but never defined [-Wunused-function]
 1277 | VPRIVATE void fillcoPermanentMultipole(
      |               ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: 'fillcoInducedDipole' declared 'static' but never defined [-Wunused-function]
 1285 | VPRIVATE void fillcoInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: 'fillcoNLInducedDipole' declared 'static' but never defined [-Wunused-function]
 1294 | VPRIVATE void fillcoNLInducedDipole(
      |               ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: 'extEnergy' declared 'static' but never defined [-Wunused-function]
 1304 | VPRIVATE void extEnergy(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: 'qfForceSpline1' declared 'static' but never defined [-Wunused-function]
 1317 | VPRIVATE void qfForceSpline1(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: 'qfForceSpline2' declared 'static' but never defined [-Wunused-function]
 1327 | VPRIVATE void qfForceSpline2(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: 'qfForceSpline4' declared 'static' but never defined [-Wunused-function]
 1337 | VPRIVATE void qfForceSpline4(
      |               ^~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: 'zlapSolve' declared 'static' but never defined [-Wunused-function]
 1351 | VPRIVATE void zlapSolve(
      |               ^~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: 'markSphere' declared 'static' but never defined [-Wunused-function]
 1364 | VPRIVATE void markSphere(
      |               ^~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: 'Vpmg_qmEnergySMPBE' declared 'static' but never defined [-Wunused-function]
 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: 'Vpmg_qmEnergyNONLIN' declared 'static' but never defined [-Wunused-function]
 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag);
      |                 ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:894,
                 from /usr/include/maloc/maloc_base.h:80,
                 from /usr/include/maloc/maloc.h:38,
                 from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:67:
In function 'sprintf',
    inlined from 'setupString' at /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:938:7:
/usr/include/bits/stdio2.h:38:10: warning: '__sprintf_chk' argument 5 overlaps destination object 'string.1' [-Wrestrict]
   38 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   39 |                                   __glibc_objsize (__s), __fmt,
      |                                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   40 |                                   __va_arg_pack ());
      |                                   ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function 'setupString':
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:798:17: note: destination object referenced by 'restrict'-qualified argument 1 was declared here
  798 |     static char string[MAX_BUF_SIZE];
      |                 ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function 'getElecEnergy':
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:1055:29: warning: 'scalar' may be used uninitialized [-Wmaybe-uninitialized]
 1055 |         ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na *
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:1038:32: note: 'scalar' was declared here
 1038 |     double ltenergy, gtenergy, scalar;
      |                                ^~~~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function 'apbsdrv_':
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:549:56: warning: 'outputformat' may be used uninitialized [-Wmaybe-uninitialized]
  549 |                 if ((pbeparm->calcenergy == PCE_COMPS) && (outputformat != OUTPUT_NULL)){
      |                     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:113:20: note: 'outputformat' was declared here
  113 |     Voutput_Format outputformat;
      |                    ^~~~~~~~~~~~
[100%] Linking C static library ../../../lib/libiapbs.a
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[100%] Built target iapbs
make[1]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.wmNJKf
+ umask 022
+ cd /builddir/build/BUILD
+ '[' /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm '!=' / ']'
+ rm -rf /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm
++ dirname /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm
+ mkdir -p /builddir/build/BUILDROOT
+ mkdir /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm
+ '[' -f /builddir/build/BUILD/.package_note-apbs-3.0.0-14.fc36.arm.ld ']'
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -I/usr/lib/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -I/usr/lib/gfortran/modules'
+ export FCFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld   -Wl,--build-id=sha1 -Wl,-dT,/builddir/build/BUILD/.package_note-apbs-3.0.0-14.fc36.arm.ld'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd apbs-3.0.0
+ /usr/bin/make install DESTDIR=/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm 'INSTALL=/usr/bin/install -p' -C build
make: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[1]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target apbs_mg
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[  5%] Built target apbs_mg
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target apbs_generic
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 26%] Built target apbs_generic
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target apbs_pmgc
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 47%] Built target apbs_pmgc
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 48%] Built target apbs
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target apbs_routines
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 49%] Built target apbs_routines
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target apbs-bin
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 52%] Built target apbs-bin
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 54%] Generating documentation with Doxygen
warning: Tag 'TCL_SUBST' at line 213 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete.
         To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u"
warning: Tag 'COLS_IN_ALPHA_INDEX' at line 857 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete.
         To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u"
warning: Tag 'PERL_PATH' at line 1565 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete.
         To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u"
warning: Tag 'MSCGEN_PATH' at line 1586 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete.
         To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u"
warning: tag INPUT: input source '/builddir/build/BUILD/apbs-3.0.0/doc/license/LICENSE.txt' does not exist
warning: source '/builddir/build/BUILD/apbs-3.0.0/doc/license/LICENSE.txt' is not a readable file or directory... skipping.
Doxygen version used: 1.9.1
Searching for include files...
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Searching INPUT for files to process...
Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src
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Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/mg
Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/pmgc
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Parsing file /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/generic/vpbe.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/generic/vpbe.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/generic/vpbe.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/generic/vpbe.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/generic/vstring.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/generic/vstring.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/generic/vstring.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/generic/vstring.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/generic/vunit.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/generic/vunit.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/main.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/main.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.h...
Parsing file /builddir/build/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.h:7: warning: the name 'beparm.h' supplied as the argument in the \file statement is not an input file
/BUILD/apbs-3.0.0/src/pmgc/mypdec.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/routines.c...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/routines.c...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/routines.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/src/routines.h...
Preprocessing /builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/mainpage.h...
Parsing file /builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/mainpage.h...
Building macro definition list...
Building group list...
Building directory list...
Building namespace list...
Building file list...
Building class list...
Computing nesting relations for classes...
Associating documentation with classes...
Building example list...
Searching for enumerations...
Searching for documented typedefs...
Searching for members imported via using declarations...
Searching for included using directives...
Searching for documented variables...
Building interface member list...
Building member list...
Searching for friends...
Searching for documented defines...
Computing class inheritance relations...
Computing class usage relations...
Flushing cached template relations that have become invalid...
Computing class relations...
Add enum values to enums...
Searching for member function documentation...
Creating members for template instances...
Building page list...
Search for main page...
Computing page relations...
Determining the scope of groups...
Sorting lists...
Determining which enums are documented
Computing member relations...
Building full member lists recursively...
Adding members to member groups.
Computing member references...
Inheriting documentation...
Generating disk names...
Adding source references...
Adding xrefitems...
Sorting member lists...
Setting anonymous enum type...
Computing dependencies between directories...
Generating citations page...
Counting members...
Counting data structures...
Resolving user defined references...
Finding anchors and sections in the documentation...
Transferring function references...
Combining using relations...
Adding members to index pages...
Correcting members for VHDL...
Computing tooltip texts...
Generating style sheet...
Generating search indices...
Generating images for formulas in HTML...
Generating example documentation...
Generating file sources...
Generating code for file doc/programmer/mainpage.h...
Generating code for file src/apbs.h...
Generating code for file src/fem/vcsm.c...
Generating code for file src/fem/vcsm.h...
Generating code for file src/fem/vfetk.c...
Generating code for file src/fem/vfetk.h...
Generating code for file src/fem/vpee.c...
Generating code for file src/fem/vpee.h...
Generating code for file src/generic/apolparm.c...
Generating code for file src/generic/apolparm.h...
Generating code for file src/generic/bemparm.c...
Generating code for file src/generic/bemparm.h...
Generating code for file src/generic/femparm.c...
Generating code for file src/generic/femparm.h...
Generating code for file sr/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:2095: warning: Member polyEval(int numP, double p[], double c[][VMAXP], double xv[]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1528: warning: Member Vfetk_PDE_initElement(PDE *thee, int elementType, int chart, double tvx[][3], void *data) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1571: warning: Member Vfetk_PDE_initPoint(PDE *thee, int pointType, int chart, double txq[], double tU[], double tdU[][3]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1741: warning: Member Vfetk_PDE_DFu_wv(PDE *thee, int key, double W[], double dW[][VAPBS_DIM], double V[], double dV[][3]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1902: warning: Member Vfetk_PDE_bisectEdge(int dim, int dimII, int edgeType, int chart[], double vx[][3]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1912: warning: Member Vfetk_PDE_mapBoundary(int dim, int dimII, int vertexType, int chart, double vx[3]) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1917: warning: Member Vfetk_PDE_markSimplex(int dim, int dimII, int simplexType, int faceType[VAPBS_NVS], int vertexType[VAPBS_NVS], int chart[], double vx[][3], void *simplex) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1998: warning: Member Vfetk_PDE_oneChart(int dim, int dimII, int objType, int chart[], double vx[][3], int dimV) (function) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:86: warning: Member var (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:93: warning: Member diriCubeString (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:130: warning: Member neumCubeString (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:366: warning: Member dim_2DP1 (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:386: warning: Member lgr_2DP1[3][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:395: warning: Member lgr_2DP1x[3][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:402: warning: Member lgr_2DP1y[3][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:409: warning: Member lgr_2DP1z[3][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:437: warning: Member dim_3DP1 (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:438: warning: Member lgr_3DP1[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:446: warning: Member lgr_3DP1x[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:454: warning: Member lgr_3DP1y[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:462: warning: Member lgr_3DP1z[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:476: warning: Member P_DEG (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:482: warning: Member numP (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:483: warning: Member c[VMAXP][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:484: warning: Member cx[VMAXP][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:485: warning: Member cy[VMAXP][VMAXP] (variable) of file vfetk.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:486: warning: Member cz[VMAXP][VMAXP] (variable) of file vfetk.c is not documented.
c/generic/geoflowparm.c...
Generating code for file src/generic/geoflowparm.h...
Generating code for file src/generic/mgparm.c...
Generating code for file src/generic/mgparm.h...
Generating code for file src/generic/nosh.c...
Generating code for file src/generic/nosh.h...
Generating code for file src/generic/pbamparm.c...
Generating code for file src/generic/pbamparm.h...
Generating code for file src/generic/pbeparm.c...
Generating code for file src/generic/pbeparm.h...
Generating code for file src/generic/pbsamparm.c...
Generating code for file src/generic/pbsamparm.h...
Generating code for file src/generic/vacc.c...
Generating code for file src/generic/vacc.h...
Generating code for file src/generic/valist.c...
Generating code for file src/generic/valist.h...
Generating code for file src/generic/vatom.c...
Generating code for file src/generic/vatom.h...
Generating code for file src/generic/vcap.c...
Generating code for file src/generic/vcap.h...
Generating code for file src/generic/vclist.c...
Generating code for file src/generic/vclist.h...
Generating code for file src/generic/vgreen.c...
Generating code for file src/generic/vgreen.h...
Generating code for file src/generic/vhal.h...
Generating code for file src/generic/vmatrix.h...
Generating code for file src/generic/vparam.c...
Generating code for file src/generic/vparam.h...
Generating code for file src/generic/vpbe.c...
Generating code for file src/generic/vpbe.h...
Generating code for file src/generic/vstring.c...
Generating code for file src/generic/vstring.h...
Generating code for file src/generic/vunit.h...
Generating code for file src/main.c...
Generating code for file src/mg/vgrid.c...
Generating code for file src/mg/vgrid.h...
Generating code for file src/mg/vmgrid.c...
Generating code for file src/mg/vmgrid.h...
Generating code for file src/mg/vopot.c...
Generating code for file src/mg/vopot.h...
Generating code for file src/mg/vpmg.c...
Generating code for file src/mg/vpmg.h...
Generating code for file src/mg/vpmgp.c...
Generating code for file src/mg/vpmgp.h...
Generating code for file src/pmgc/buildAd.c...
Generating code for file src/pmgc/buildAd.h...
Generating code for file src/pmgc/buildBd.c...
Generating code for file src/pmgc/buildBd.h...
Generating code for file src/pmgc/buildGd.c...
Generating code for file src/pmgc/buildGd.h...
Generating code for file src/pmgc/buildPd.c...
Generating code for file src/pmgc/buildPd.h...
Generating code for file src/pmgc/cgd.c...
Generating code for file src/pmgc/cgd.h...
Generating code for file src/pmgc/gsd.c...
Generating code for file src/pmgc/gsd.h...
Generating code for file src/pmgc/matvecd.c...
Generating code for file src/pmgc/matvecd.h...
Generating code for file src/pmgc/mgcsd.c...
Generating code for file src/pmgc/mgcsd.h...
Generating code for file src/pmgc/mgdrvd.c...
Generating code for file src/pmgc/mgdrvd.h...
Generating code for file src/pmgc/mgfasd.c...
Generating code for file src/pmgc/mgfasd.h...
Generating code for file src/pmgc/mgsubd.c...
Generating code for file src/pmgc/mgsubd.h...
Generating code for file src/pmgc/mikpckd.c...
Generating code for file src/pmgc/mikpckd.h...
Generating code for file src/pmgc/mlinpckd.c...
Generating code for file src/pmgc/mlinpckd.h...
Generating code for file src/pmgc/mypdec.c...
Generating code for file src/pmgc/mypdec.h...
Generating code for file src/pmgc/newdrvd.c...
Generating code for file src/pmgc/newdrvd.h...
Generating code for file src/pmgc/newtond.c...
Generating code for file src/pmgc/newtond.h...
Generating code for file src/pmgc/powerd.c...
Generating code for file src/pmgc/powerd.h...
Generating code for file src/pmgc/smoothd.c...
Generating code for file src/pmgc/smoothd.h...
Generating code for file src/routines.c...
Generating code for file src/routines.h...
Generating file documentation...
Generating docs for file src/apbs.h...
Generating docs for file src/fem/vcsm.c...
Generating docs for file src/fem/vcsm.h...
Generating docs for file src/fem/vfetk.c...
Generating docs for file src/fem/vfetk.h...
Generating docs for file src/fem/vpee/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:498: warning: Member Vpee_userDefined(Vpee *thee, SS *sm) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:532: warning: Member Vpee_ourSimp(Vpee *thee, SS *sm, int rcol) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:66: warning: Member Aprx_estNonlinResid(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:72: warning: Member Aprx_estLocalProblem(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:77: warning: Member Aprx_estDualProblem(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:237: warning: Member APOLparm_parseGRID(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:268: warning: Member APOLparm_parseMOL(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:287: warning: Member APOLparm_parseSRFM(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:309: warning: Member APOLparm_parseSRAD(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:328: warning: Member APOLparm_parseSWIN(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:347: warning: Member APOLparm_parseTEMP(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:366: warning: Member APOLparm_parseGAMMA(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:385: warning: Member APOLparm_parseCALCENERGY(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:438: warning: Member APOLparm_parseCALCFORCE(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:491: warning: Member APOLparm_parseBCONC(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:510: warning: Member APOLparm_parseSDENS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:529: warning: Member APOLparm_parseDPOS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:558: warning: Member APOLparm_parsePRESS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:210: warning: Member BEMparm_parseTREE_ORDER(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:233: warning: Member BEMparm_parseTREE_N0(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:256: warning: Member BEMparm_parseMAC(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:279: warning: Member BEMparm_parseMESH(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:308: warning: Member BEMparm_parseOUTDATA(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:196: warning: Member FEMparm_parseDOMAINLENGTH(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:221: warning: Member FEMparm_parseETOL(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:244: warning: Member FEMparm_parseEKEY(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:276: warning: Member FEMparm_parseAKEYPRE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:303: warning: Member FEMparm_parseAKEYSOLVE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:333: warning: Member FEMparm_parseTARGETNUM(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:352: warning: Member FEMparm_parseTARGETRES(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:372: warning: Member FEMparm_parseMAXSOLVE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:391: warning: Member FEMparm_parseMAXVERT(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:411: warning: Member FEMparm_parseUSEMESH(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:138: warning: Member FUBAR(const char *name) (function) of file geoflowparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:143: warning: Member parseNonNeg(double *tf, double def, int *set, char *name, Vio *sock) (function) of file geoflowparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:164: warning: Member GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:186: warning: Member GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169: warning: Member GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171: warning: Member GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:415: warning: Member MGparm_parseDIME(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:446: warning: Member MGparm_parseCHGM(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:497: warning: Member MGparm_parseNLEV(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:516: warning: Member MGparm_parseETOL(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:539: warning: Member MGparm_parseGRID(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:570: warning: Member MGparm_parseGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:601: warning: Member MGparm_parseGAMMA(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:616: warning: Member MGparm_parseGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:668: warning: Member MGparm_parseCGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:699: warning: Member MGparm_parseFGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:730: warning: Member MGparm_parseCGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:782: warning: Member MGparm_parseFGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:834: warning: Member MGparm_parsePDIME(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:872: warning: Member MGparm_parseOFRAC(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:892: warning: Member MGparm_parseASYNC(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:912: warning: Member MGparm_parseUSEAQUA(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:970: warning: Member NOsh_parseREAD(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1021: warning: Member NOsh_parsePRINT(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1187: warning: Member NOsh_parseELEC(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1313: warning: Member NOsh_parseAPOLAR(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2385: warning: Member NOsh_parseFEM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1510: warning: Member NOsh_parseMG(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2845: warning: Member NOsh_parseBEM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2934: warning: Member NOsh_parseGEOFLOW(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3048: warning: Member NOsh_parsePBAM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3166: warning: Member NOsh_parsePBSAM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2508: warning: Member NOsh_parseAPOL(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1603: warning: Member NOsh_setupCalcMG(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1815: warning: Member NOsh_setupCalcMGAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1747: warning: Member NOsh_setupCalcMGMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2090: warning: Member NOsh_setupCalcMGPARA(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1722: warning: Member NOsh_setupCalcFEM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2471: warning: Member NOsh_setupCalcFEMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1638: warning: Member NOsh_setupCalcBEM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1666: warning: Member NOsh_setupCalcGEOFLOW(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1686: warning: Member NOsh_setupCalcPBAM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1704: warning: Member NOsh_setupCalcPBSAM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2612: warning: Member NOsh_setupCalcBEMMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2677: warning: Member NOsh_setupCalcGEOFLOWMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2735: warning: Member NOsh_setupCalcPBAMAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2786: warning: Member NOsh_setupCalcPBSAMAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2581: warning: Member NOsh_setupCalcAPOL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:598: warning: Member NOsh_parseREAD_MOL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:675: warning: Member NOsh_parseREAD_PARM(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:739: warning: Member NOsh_parseREAD_DIEL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:793: warning: Member NOsh_parseREAD_KAPPA(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:839: warning: Member NOsh_parseREAD_POTENTIAL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:884: warning: Member NOsh_parseREAD_CHARGE(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:930: warning: Member NOsh_parseREAD_MESH(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:458: warning: Member PBAMparm_parseNtraj(PBAMparm *thee, Vio *sock) (function) of file pbamparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:549: warning: Member PBAMparm_parseTerm(PBAMparm *thee, Vio *sock) (function) of file pbamparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:77: warning: Member PBAMPARM_MAXWRITE (macro definition) of file pbamparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:78: warning: Member PBAMPARM_MAXMOL (macro definition) of file pbamparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:87: warning: Member PBEparm_getzmem(PBEparm *thee) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:91: warning: Member PBEparm_getLmem(PBEparm *thee) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:95: warning: Member PBEparm_getmembraneDiel(PBEparm *thee) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:99: warning: Member PBEparm_getmemv(PBEparm *thee) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:368: warning: Member PBEparm_parseLPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:375: warning: Member PBEparm_parseNPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:382: warning: Member PBEparm_parseMOL(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:401: warning: Member PBEparm_parseLRPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:408: warning: Member PBEparm_parseNRPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:415: warning: Member PBEparm_parseSMPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:474: warning: Member PBEparm_parseBCFL(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:555: warning: Member PBEparm_parseION(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:652: warning: Member PBEparm_parsePDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:671: warning: Member PBEparm_parseSDENS(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:690: warning: Member PBEparm_parseSDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:709: warning: Member PBEparm_parseSRFM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:780: warning: Member PBEparm_parseSRAD(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:799: warning: Member PBEparm_parseSWIN(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:818: warning: Member PBEparm_parseTEMP(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:837: warning: Member PBEparm_parseUSEMAP(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:895: warning: Member PBEparm_parseCALCENERGY(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:948: warning: Member PBEparm_parseCALCFORCE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1005: warning: Member PBEparm_parseZMEM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1025: warning: Member PBEparm_parseLMEM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1044: warning: Member PBEparm_parseMDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1063: warning: Member PBEparm_parseMEMV(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1084: warning: Member PBEparm_parseWRITE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1178: warning: Member PBEparm_parseWRITEMAT(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:77: warning: Member PBSAMPARM_MAXWRITE (macro definition) of file pbsamparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:78: warning: Member PBSAMPARM_MAXMOL (macro definition) of file pbsamparm.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:277: warning: Member Vacc_vdwAcc(Vacc *thee, double center[3]) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:307: warning: Member Vacc_ivdwAcc(Vacc *thee, double center[3], double radius) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:679: warning: Member Vacc_writeGMV(Vacc *thee, double radius, int meth, Gem *gm, char *iodev, char *iofmt, char *iohost, char *iofile) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1252: warning: Member Vacc_SASAPos(Vacc *thee, double radius) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1277: warning: Member Vacc_atomSASAPos(Vacc *thee, double radius, Vatom *atom, int mode) (function) of file vacc.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:80: warning: The following parameter of ivdwAccExclus(Vacc *thee, double center[3], double radius, int atomID) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:493: warning: The following parameter of splineAcc(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, VclistCell *cell) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:186: warning: Member Valist_readPDBSerial(Valist *thee, Vio *sock, int *serial) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:206: warning: Member Valist_readPDBAtomName(Valist *thee, Vio *sock, char atomName[VMAX_ARGLEN]) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:224: warning: Member Valist_readPDBResidueName(Valist *thee, Vio *sock, char resName[VMAX_ARGLEN]) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:242: warning: Member Valist_readPDBResidueNumber(Valist *thee, Vio *sock, int *resSeq) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:298: warning: Member Valist_readPDBAtomCoord(Valist *thee, Vio *sock, double *coord) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:316: warning: Member Valist_readPDBChargeRadius(Valist *thee, Vio *sock, double *charge, double *radius) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:344: warning: Member Valist_readPDB_throughXYZ(Valist *thee, Vio *sock, int *serial, char atomName[VMAX_ARGLEN], char resName[VMAX_ARGLEN], int *resSeq, double *x, double *y, double *z) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:424: warning: Member Valist_getAtomStorage(Valist *thee, Vatom **plist, int *pnlist, int *pnatoms) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:480: warning: Member Valist_setAtomArray(Valist *thee, Vatom **plist, int nlist, int natoms) (function) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:60: warning: Member Valist_whiteChars (variable) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:61: warning: Member Valist_commChars (variable) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:62: warning: Member Valist_xmlwhiteChars (variable) of file valist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:128: warning: Member VCLIST_INFLATE (macro definition) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:90: warning: Member Vclist_getMolDims(Vclist *thee, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM], double *r_max) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:125: warning: Member Vclist_setupGrid(Vclist *thee) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:174: warning: Member Vclist_storeParms(Vclist *thee, Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM]) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:231: warning: Member Vclist_gridSpan(Vclist *thee, Vatom *atom, int imin[VAPBS_DIM], int imax[VAPBS_DIM]) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:262: warning: Member Vclist_arrayIndex(Vclist *thee, int i, int j, int k) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:270: warning: Member Vclist_assignAtoms(Vclist *thee) (function) of file vclist.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:425: warning: Member treesetup(Vgreen *thee) (function) of file vgreen.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:505: warning: Member treecleanup(Vgreen *thee) (function) of file vgreen.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:525: warning: Member treecalc(Vgreen *thee, double *xtar, double *ytar, double *ztar, double *qtar, int numtars, double *tpengtar, double *x, double *y, double *z, double *q, int numpars, double *fx, double *fy, double *fz, int iflag, int farrdim, int arrdim) (function) of file vgreen.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:458: warning: Member MAX_HASH_DIM (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:572: warning: Member OS_SEP_STR (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:573: warning: Member OS_SEP_CHAR (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:600: warning: Member ANNOUNCE_FUNCTION (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:601: warning: Member WARN_UNTESTED (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:602: warning: Member WARN_PARTTESTED (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:653: warning: Member VCHANNELEDMESSAGE0(channel, msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:658: warning: Member VCHANNELEDMESSAGE1(channel, msg, arg0) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:665: warning: Member VCHANNELEDMESSAGE2(channel, msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:672: warning: Member VCHANNELEDMESSAGE3(channel, msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:679: warning: Member VMESSAGE0(msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:680: warning: Member VMESSAGE1(msg, arg0) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:681: warning: Member VMESSAGE2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:682: warning: Member VMESSAGE3(msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:684: warning: Member VERRMSG0(msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:685: warning: Member VERRMSG1(msg, arg0) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:686: warning: Member VERRMSG2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:687: warning: Member VERRMSG3(msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:731: warning: Member VASSERT_MSG0(cnd, msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:741: warning: Member VASSERT_MSG1(cnd, msg, arg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:753: warning: Member VASSERT_MSG2(cnd, msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:825: warning: Member VWARN_MSG0(cnd, msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:838: warning: Member VWARN_MSG1(cnd, msg, arg0) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:853: warning: Member VWARN_MSG2(cnd, msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:899: warning: Member VABORT_MSG0(msg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:907: warning: Member VABORT_MSG1(msg, arg) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:917: warning: Member VABORT_MSG2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:944: warning: Member PRINT_INT(expr) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:945: warning: Member PRINT_DBL(expr) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:948: warning: Member VMALLOC(vmem, n, type) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:950: warning: Member VFREE(vmem, n, type, ptr) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:952: warning: Member VFILL(vec, n, val) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:959: warning: Member VCOPY(srcvec, dstvec, i, n) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:968: warning: Member VAT(array, i) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:969: warning: Member RAT(array, i) (macro definition) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:1: warning: Member Vrc_Codes (typedef) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:1: warning: Member Vsol_Meth (typedef) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:966: warning: Member wrap_text(char *str, int right_margin, int left_padding) (function) of file vhal.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:64: warning: Member MAT2(mat, dx, dy) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:68: warning: Member RAT2(mat, x, y) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:71: warning: Member VAT2(mat, x, y) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:76: warning: Member MAT3(mat, dx, dy, dz) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:81: warning: Member RAT3(mat, x, y, z) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:84: warning: Member VAT3(mat, x, y, z) (macro definition) of file vmatrix.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/vpbe.c:62: warning: Member MAX_SPLINE_WINDOW (macro definition) of file vpbe.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:67: warning: Member IJK(i, j, k) (macro definition) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:77: warning: Member MCwhiteChars (variable) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:78: warning: Member MCcommChars (variable) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:79: warning: Member Vcompare (variable) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:80: warning: Member Vprecision[26] (variable) of file vgrid.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:113: warning: Member IJK(i, j, k) (macro definition) of file vopot.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1401: warning: Member Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2828: warning: Member bcCalcOrig(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3130: warning: Member gridPointIsValid(int i, int j, int k, int nx, int ny, int nz) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3313: warning: Member packAtoms(double *ax, double *ay, double *az, double *charge, double *size, Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3338: warning: Member packUnpack(int nx, int ny, int nz, int ngrid, double *gx, double *gy, double *gz, double *value, Vpmg *thee, int pack) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3407: warning: Member bcflnew(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3597: warning: Member bcfl_sdh(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3868: warning: Member bcfl_mdh(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3995: warning: Member bcfl_mem(double zmem, double L, double eps_m, double eps_w, double V, double xkappa, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4174: warning: Member bcfl_map(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6684: warning: Member markFrac(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *xarray, double *yarray, double *zarray) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10260: warning: Member fillcoPermanentInduced(Vpmg *thee) (function) of file vpmg.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2564: warning: The following parameter of bcfl1(double size, double *apos, double charge, double xkappa, double pre1, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) is not documented:
  parameter 'size'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1359: warning: argument 'hz' of command @param is not found in the argument list of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal)
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6849: warning: The following parameter of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) is not documented:
  parameter 'rtot'
  parameter 'hzed'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3487: warning: The following parameter of multipolebc(double r, double kappa, double eps_p, double eps_w, double rad, double tsr[3]) is not documented:
  parameter 'r'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6311: warning: The following parameters of qfForceSpline1(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6448: warning: The following parameters of qfForceSpline2(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6561: warning: The following parameters of qfForceSpline4(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1148: warning: The following parameter of Vpmg_polarizEnergy(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1704: warning: The following parameter of Vpmg_qfEnergyPoint(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1861: warning: The following parameter of Vpmg_qfEnergyVolume(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1893: warning: The following parameter of Vpmg_splineSelect(int srfm, Vacc *acc, double *gpos, double win, double infrad, Vatom *atom, double *force) is not documented:
  parameter 'srfm'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6898: warning: The following parameters of zlapSolve(Vpmg *thee, double **solution, double **source, double **work1) are not documented:
  parameter 'thee'
  parameter 'solution'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:105: warning: Member VPMGMAXPART (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1392: warning: Member VCUB(x) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1393: warning: Member VLOG(x) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1395: warning: Member IJK(i, j, k) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1396: warning: Member IJKx(j, k, i) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1397: warning: Member IJKy(i, k, j) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1398: warning: Member IJKz(i, j, k) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1399: warning: Member VFCHI(iint, iflt) (macro definition) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385: warning: Member Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag) (function) of file vpmg.h is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058: warning: The following parameter of bcfl1(double size, double *apos, double charge, double xkappa, double pre1, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) is not documented:
  parameter 'size'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364: warning: The following parameter of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) is not documented:
  parameter 'rtot'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109: warning: The following parameter of multipolebc(double r, double kappa, double eps_p, double eps_w, double rad, double tsr[3]) is not documented:
  parameter 'r'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317: warning: The following parameters of qfForceSpline1(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327: warning: The following parameters of qfForceSpline2(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337: warning: The following parameters of qfForceSpline4(Vpmg *thee, double *force, int atomID) are not documented:
  parameter 'thee'
  parameter 'force'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998: warning: The following parameter of Vpmg_polarizEnergy(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009: warning: The following parameter of Vpmg_qfEnergyPoint(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020: warning: The following parameter of Vpmg_qfEnergyVolume(Vpmg *thee, int extFlag) is not documented:
  parameter 'thee'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031: warning: The following parameter of Vpmg_splineSelect(int srfm, Vacc *acc, double *gpos, double win, double infrad, Vatom *atom, double *force) is not documented:
  parameter 'srfm'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351: warning: The following parameters of zlapSolve(Vpmg *thee, double **solution, double **source, double **work1) are not documented:
  parameter 'thee'
  parameter 'solution'
/builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c:294: warning: Member coarsenThis(int nOld) (function) of file vpmgp.c is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:245: warning: argument 'parm' of command @param is not found in the argument list of PBAMparm_parseSalt(PBAMparm *thee, Vio *sock)
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251: warning: The following parameter of PBAMparm_parseSalt(PBAMparm *thee, Vio *sock) is not documented:
  parameter 'sock'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:515: warning: The following parameter of energyAPOL(APOLparm *apolparm, double sasa, double sav, double atomsasa[], double atomwcaEnergy[], int numatoms) is not documented:
  parameter 'apolparm'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:612: warning: The following parameter of killFE(NOsh *nosh, Vpbe *pbe[NOSH_MAXCALC], Vfetk *fetk[NOSH_MAXCALC], Gem *gem[NOSH_MAXMOL]) is not documented:
  parameter 'nosh'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:264: warning: The following parameter of killMG(NOsh *nosh, Vpbe *pbe[NOSH_MAXCALC], Vpmgp *pmgp[NOSH_MAXCALC], Vpmg *pmg[NOSH_MAXCALC]) is not documented:
  parameter 'nosh'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:882: warning: argument 'charge' of command @param is not found in the argument list of loadChargeMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL])
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:211: warning: The following parameter of loadChargeMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented:
  parameter 'map'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:662: warning: argument 'kappa' of command @param is not found in the argument list of loadKappaMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL])
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:177: warning: The following parameter of loadKappaMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented:
  parameter 'map'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:791: warning: argument 'pot' of command @param is not found in the argument list of loadPotMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL])
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:194: warning: The following parameter of loadPotMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented:
  parameter 'map'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:620: warning: argument 'nosh' of command @param is not found in the argument list of preRefineFE(int i, FEMparm *feparm, Vfetk *fetk[NOSH_MAXCALC])
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:496: warning: The following parameter of printApolForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:447: warning: The following parameter of printElecEnergy(Vcom *com, NOsh *nosh, double totEnergy[NOSH_MAXCALC], int iprint) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:483: warning: The following parameter of printElecForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:434: warning: The following parameter of printEnergy(Vcom *com, NOsh *nosh, double totEnergy[NOSH_MAXCALC], int iprint) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.h:470: warning: The following parameter of printForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented:
  parameter 'com'
/builddir/build/BUILD/apbs-3.0.0/src/routines.c:4125: warning: argument 'i' of command @param is not found in the argument list of solveFE(int icalc, PBEparm *pbeparm, FEMparm *feparm, Vfetk *fetk[NOSH_MAXCALC])
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:104: warning: Member vdw (variable) of struct sGEOFLOWparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:105: warning: Member setvdw (variable) of struct sGEOFLOWparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:111: warning: Member salt (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:112: warning: Member setsalt (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:115: warning: Member runtype[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:116: warning: Member setruntype (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:119: warning: Member runname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:120: warning: Member setrunname (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:123: warning: Member setrandorient (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:126: warning: Member pbcboxlen (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:127: warning: Member setpbcs (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:130: warning: Member units[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:131: warning: Member setunits (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:137: warning: Member gridpt (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:138: warning: Member setgridpt (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:141: warning: Member map3dname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:142: warning: Member set3dmap (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:145: warning: Member grid2Dname[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:146: warning: Member grid2Dax[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:147: warning: Member grid2Dloc[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:148: warning: Member grid2Dct (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:149: warning: Member setgrid2Dname (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:152: warning: Member dxname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:153: warning: Member setdxname (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:158: warning: Member ntraj (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:159: warning: Member setntraj (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:161: warning: Member termcombine[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:162: warning: Member settermcombine (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:164: warning: Member diffct (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:165: warning: Member moveType[PBAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:166: warning: Member transDiff[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:167: warning: Member rotDiff[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:169: warning: Member termct (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:170: warning: Member setterm (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:172: warning: Member termnam[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:173: warning: Member termnu[PBAMPARM_MAXWRITE][1] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:174: warning: Member termVal[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:175: warning: Member confil[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:176: warning: Member conpad[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:177: warning: Member confilct (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:179: warning: Member setxyz (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:180: warning: Member xyzct[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:181: warning: Member xyzfil[PBAMPARM_MAXMOL][PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.h:202: warning: Member pbam_3dmapstem[VMAX_ARGLEN] (variable) of struct sPBEparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.h:203: warning: Member pbam_3dmapflag (variable) of struct sPBEparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:112: warning: Member settolsp (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:113: warning: Member tolsp (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:115: warning: Member setmsms (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:116: warning: Member probe_radius (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:117: warning: Member density (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:119: warning: Member setsurf (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:120: warning: Member surfct (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:121: warning: Member surffil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:123: warning: Member setimat (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:124: warning: Member imatct (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:125: warning: Member imatfil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:127: warning: Member setexp (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:128: warning: Member expct (variable) of struct sPBSAMparm is not documented.
/builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:129: warning: Member expfil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented.
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Chapter 1.
(./index.tex (/usr/share/texlive/texmf-dist/tex/latex/psnfss/ts1phv.fd)
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Chapter 2.
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Chapter 3.
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Chapter 4.
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Chapter 5.
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Chapter 6.
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Chapter 7.
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(longtable)                in table 7.64 on input line 1673.
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(longtable)                in table 7.65 on input line 1697.
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(longtable)                in table 7.67 on input line 1757.
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Overfull \vbox (9.38481pt too high) has occurred while \output is active
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(longtable)                in table 7.70 on input line 115.
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[58]
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(longtable)                in table 7.71 on input line 140.
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(longtable)                in table 7.72 on input line 162.
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Package longtable Warning: Column widths have changed
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.74 on input line 235.
) (./group___a_p_o_lparm.tex [60] [61]
Package longtable Warning: Column widths have changed
(longtable)                in table 7.75 on input line 99.
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(longtable)                in table 7.76 on input line 127.
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(longtable)                in table 7.78 on input line 180.
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(longtable)                in table 7.79 on input line 207.
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.80 on input line 249.
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(longtable)                in table 7.81 on input line 274.
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(longtable)                in table 7.82 on input line 296.
) (./group___b_e_mparm.tex [64]
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.83 on input line 94.
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.84 on input line 119.
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(longtable)                in table 7.85 on input line 144.
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(longtable)                in table 7.86 on input line 171.
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(longtable)                in table 7.87 on input line 196.
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(longtable)                in table 7.88 on input line 218.
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.89 on input line 244.
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) (./group___f_e_mparm.tex [68] [69]
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(longtable)                in table 7.90 on input line 117.
Underfull \hbox (badness 10000) detected at line 132
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(longtable)                in table 7.91 on input line 159.
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(longtable)                in table 7.92 on input line 190.
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(longtable)                in table 7.93 on input line 215.
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(longtable)                in table 7.94 on input line 242.
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(longtable)                in table 7.95 on input line 264.
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.96 on input line 291.
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.97 on input line 316.
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Package longtable Warning: Column widths have changed
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) (./group___g_e_o_f_l_o_wparm.tex [73]
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Package longtable Warning: Column widths have changed
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(longtable)                in table 7.100 on input line 118.
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(longtable)                in table 7.101 on input line 145.
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(longtable)                in table 7.102 on input line 167.
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.103 on input line 194.
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(longtable)                in table 7.104 on input line 219.
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(longtable)                in table 7.105 on input line 241.
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.107 on input line 133.
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Package longtable Warning: Column widths have changed
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(longtable)                in table 7.109 on input line 190.
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Package longtable Warning: Column widths have changed
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Overfull \vbox (14.70921pt too high) has occurred while \output is active
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(longtable)                in table 7.112 on input line 271.
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(longtable)                in table 7.113 on input line 293.
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.114 on input line 320.
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(longtable)                in table 7.115 on input line 345.
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(longtable)                in table 7.125 on input line 589.
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Package longtable Warning: Column widths have changed
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(longtable)                in table 7.127 on input line 645.
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Package longtable Warning: Column widths have changed
(longtable)                in table 7.129 on input line 693.
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Package longtable Warning: Column widths have changed
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Package longtable Warning: Column widths have changed
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Package longtable Warning: Column widths have changed
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Overfull \vbox (9.96391pt too high) has occurred while \output is active
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[]                                                                        \T1/p
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory.  
Portions Copyright (c) 2002-2020, Washington University in St. Louis.  Portions
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he Regents of the University of California. Portions Copyright (c) 1995, Michae
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Chapter 1.
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Chapter 2.
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Chapter 3.
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Chapter 4.
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Chapter 5.
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Chapter 6.
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Chapter 7.
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Underfull \hbox (badness 10000) detected at line 309
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Underfull \hbox (badness 10000) detected at line 331
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) (./group___g_e_o_f_l_o_wparm.tex [73]
Underfull \hbox (badness 10000) detected at line 69
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Underfull \hbox (badness 10000) detected at line 136
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Underfull \hbox (badness 10000) detected at line 160
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Underfull \hbox (badness 10000) detected at line 195
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Underfull \hbox (badness 10000) detected at line 212
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Underfull \hbox (badness 10000) detected at line 234
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Underfull \hbox (badness 10000) detected at line 256
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Underfull \hbox (badness 10000) detected at line 268
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) (./group___m_gparm.tex [77] [78] [79]
Underfull \hbox (badness 10000) detected at line 179
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Overfull \vbox (14.70921pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 262
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Underfull \hbox (badness 10000) detected at line 286
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Underfull \hbox (badness 10000) detected at line 338
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Underfull \hbox (badness 10000) detected at line 360
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Underfull \hbox (badness 10000) detected at line 415
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Underfull \hbox (badness 10000) detected at line 482
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Underfull \hbox (badness 10000) detected at line 532
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Underfull \hbox (badness 10000) detected at line 540
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Underfull \hbox (badness 10000) detected at line 557
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Underfull \hbox (badness 10000) detected at line 582
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Underfull \hbox (badness 10000) detected at line 607
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Underfull \hbox (badness 10000) detected at line 619
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Underfull \hbox (badness 10000) detected at line 660
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Underfull \hbox (badness 10000) detected at line 684
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) (./group___n_osh.tex [88] [89] [90] [91]
Underfull \hbox (badness 10000) detected at line 311
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Underfull \hbox (badness 10000) detected at line 362
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Overfull \vbox (9.96391pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 419
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Underfull \hbox (badness 10000) detected at line 465
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Underfull \hbox (badness 10000) detected at line 487
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Underfull \hbox (badness 10000) detected at line 519
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Underfull \hbox (badness 10000) detected at line 536
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Underfull \hbox (badness 10000) detected at line 549
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Underfull \hbox (badness 10000) detected at line 569
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Underfull \hbox (badness 10000) detected at line 579
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Underfull \hbox (badness 10000) detected at line 596
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Underfull \hbox (badness 10000) detected at line 606
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Underfull \hbox (badness 10000) detected at line 623
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Underfull \hbox (badness 10000) detected at line 633
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Underfull \hbox (badness 10000) detected at line 650
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Underfull \hbox (badness 10000) detected at line 660
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Underfull \hbox (badness 10000) detected at line 677
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Underfull \hbox (badness 10000) detected at line 687
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Underfull \hbox (badness 10000) detected at line 704
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Underfull \hbox (badness 10000) detected at line 714
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Underfull \hbox (badness 10000) detected at line 731
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Underfull \hbox (badness 10000) detected at line 741
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Underfull \hbox (badness 10000) detected at line 758
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Underfull \hbox (badness 10000) detected at line 768
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Underfull \hbox (badness 10000) detected at line 785
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Underfull \hbox (badness 10000) detected at line 795
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Underfull \hbox (badness 10000) detected at line 812
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Underfull \hbox (badness 10000) detected at line 839
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Underfull \hbox (badness 10000) detected at line 849
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Underfull \hbox (badness 10000) detected at line 866
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Underfull \hbox (badness 10000) detected at line 876
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Underfull \hbox (badness 10000) detected at line 893
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Underfull \hbox (badness 10000) detected at line 896
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Underfull \hbox (badness 10000) detected at line 906
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Underfull \hbox (badness 10000) detected at line 923
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Underfull \hbox (badness 10000) detected at line 928
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Underfull \hbox (badness 10000) detected at line 938
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Underfull \hbox (badness 10000) detected at line 955
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Underfull \hbox (badness 10000) detected at line 958
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Underfull \hbox (badness 10000) detected at line 970
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Underfull \hbox (badness 10000) detected at line 973
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Underfull \hbox (badness 10000) detected at line 990
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Underfull \hbox (badness 10000) detected at line 993
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Underfull \hbox (badness 10000) detected at line 1003
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Underfull \hbox (badness 10000) detected at line 1006
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Underfull \hbox (badness 10000) detected at line 1023
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Underfull \hbox (badness 10000) detected at line 1026
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Underfull \hbox (badness 10000) detected at line 1038
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Underfull \hbox (badness 10000) detected at line 1058
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Underfull \hbox (badness 10000) detected at line 1061
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Underfull \hbox (badness 10000) detected at line 1071
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Underfull \hbox (badness 10000) detected at line 1074
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Underfull \hbox (badness 10000) detected at line 1091
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Underfull \hbox (badness 10000) detected at line 1094
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Underfull \hbox (badness 10000) detected at line 1104
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Underfull \hbox (badness 10000) detected at line 1131
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Underfull \hbox (badness 10000) detected at line 1141
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) (./group___p_b_a_mparm.tex [105] [106]
Underfull \hbox (badness 10000) detected at line 101
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Overfull \vbox (0.4495pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 143
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Underfull \hbox (badness 10000) detected at line 168
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Underfull \hbox (badness 10000) detected at line 192
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Underfull \hbox (badness 10000) detected at line 200
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Underfull \hbox (badness 10000) detected at line 217
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Underfull \hbox (badness 10000) detected at line 227
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Underfull \hbox (badness 10000) detected at line 244
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Underfull \hbox (badness 10000) detected at line 266
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Underfull \hbox (badness 10000) detected at line 288
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Underfull \hbox (badness 10000) detected at line 312
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Underfull \hbox (badness 10000) detected at line 336
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Underfull \hbox (badness 10000) detected at line 384
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Underfull \hbox (badness 10000) detected at line 408
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Underfull \hbox (badness 10000) detected at line 432
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Overfull \vbox (17.70645pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 480
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Underfull \hbox (badness 10000) detected at line 504
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Underfull \hbox (badness 10000) detected at line 528
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Overfull \vbox (17.5984pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 552
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Underfull \hbox (badness 10000) detected at line 564
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Underfull \hbox (badness 10000) detected at line 581
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Underfull \hbox (badness 10000) detected at line 605
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) (./group___p_b_eparm.tex [115] [116]
Underfull \hbox (badness 10000) detected at line 151
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Underfull \hbox (badness 10000) detected at line 176
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Underfull \hbox (badness 10000) detected at line 200
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Underfull \hbox (badness 10000) detected at line 245
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Underfull \hbox (badness 10000) detected at line 267
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Underfull \hbox (badness 10000) detected at line 289
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Underfull \hbox (badness 10000) detected at line 292
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Underfull \hbox (badness 10000) detected at line 316
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Underfull \hbox (badness 10000) detected at line 319
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Underfull \hbox (badness 10000) detected at line 343
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Underfull \hbox (badness 10000) detected at line 346
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Underfull \hbox (badness 10000) detected at line 370
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Underfull \hbox (badness 10000) detected at line 373
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) (./group___p_b_s_a_mparm.tex [120] [121]
Underfull \hbox (badness 10000) detected at line 85
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Underfull \hbox (badness 10000) detected at line 127
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Underfull \hbox (badness 10000) detected at line 152
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Underfull \hbox (badness 10000) detected at line 176
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Underfull \hbox (badness 10000) detected at line 184
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Underfull \hbox (badness 10000) detected at line 228
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Underfull \hbox (badness 10000) detected at line 250
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Underfull \hbox (badness 10000) detected at line 296
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Underfull \hbox (badness 10000) detected at line 320
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Underfull \hbox (badness 10000) detected at line 344
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Underfull \hbox (badness 10000) detected at line 368
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Underfull \hbox (badness 10000) detected at line 380
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Underfull \hbox (badness 10000) detected at line 397
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) (./group___vacc.tex [127] [128] [129]
Underfull \hbox (badness 10000) detected at line 120
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Underfull \hbox (badness 10000) detected at line 178
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Underfull \hbox (badness 10000) detected at line 181
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Underfull \hbox (badness 10000) detected at line 184
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Underfull \hbox (badness 10000) detected at line 213
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Underfull \hbox (badness 10000) detected at line 239
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Underfull \hbox (badness 10000) detected at line 242
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Underfull \hbox (badness 10000) detected at line 254
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Underfull \hbox (badness 10000) detected at line 276
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Underfull \hbox (badness 10000) detected at line 279
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Underfull \hbox (badness 10000) detected at line 305
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Underfull \hbox (badness 10000) detected at line 308
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Underfull \hbox (badness 10000) detected at line 336
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Underfull \hbox (badness 10000) detected at line 358
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Underfull \hbox (badness 10000) detected at line 382
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Underfull \hbox (badness 10000) detected at line 385
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Underfull \hbox (badness 10000) detected at line 388
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Underfull \hbox (badness 10000) detected at line 418
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Underfull \hbox (badness 10000) detected at line 421
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Underfull \hbox (badness 10000) detected at line 443
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Underfull \hbox (badness 10000) detected at line 446
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Underfull \hbox (badness 10000) detected at line 470
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Underfull \hbox (badness 10000) detected at line 473
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Overfull \vbox (12.33495pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 501
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Underfull \hbox (badness 10000) detected at line 504
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Underfull \hbox (badness 10000) detected at line 507
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Underfull \hbox (badness 10000) detected at line 533
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Underfull \hbox (badness 10000) detected at line 536
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Overfull \vbox (14.12279pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 566
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Underfull \hbox (badness 10000) detected at line 599
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Underfull \hbox (badness 10000) detected at line 631
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Underfull \hbox (badness 10000) detected at line 663
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Underfull \hbox (badness 10000) detected at line 695
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Underfull \hbox (badness 10000) detected at line 729
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Underfull \hbox (badness 10000) detected at line 761
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Underfull \hbox (badness 10000) detected at line 791
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Underfull \hbox (badness 10000) detected at line 823
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Underfull \hbox (badness 10000) detected at line 826
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Underfull \hbox (badness 10000) detected at line 829
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Underfull \hbox (badness 10000) detected at line 853
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Underfull \hbox (badness 10000) detected at line 859
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Underfull \hbox (badness 10000) detected at line 889
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Underfull \hbox (badness 10000) detected at line 892
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Underfull \hbox (badness 10000) detected at line 912
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Underfull \hbox (badness 10000) detected at line 915
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Underfull \hbox (badness 10000) detected at line 943
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Underfull \hbox (badness 10000) detected at line 946
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Underfull \hbox (badness 10000) detected at line 978
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Underfull \hbox (badness 10000) detected at line 981
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Underfull \hbox (badness 10000) detected at line 1011
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Underfull \hbox (badness 10000) detected at line 1014
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Underfull \hbox (badness 10000) detected at line 1040
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Underfull \hbox (badness 10000) detected at line 1043
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Underfull \hbox (badness 10000) detected at line 1093
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Underfull \hbox (badness 10000) detected at line 1117
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Underfull \hbox (badness 10000) detected at line 1120
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Underfull \hbox (badness 10000) detected at line 1123
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) (./group___valist.tex [146]
Underfull \hbox (badness 10000) detected at line 75
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Underfull \hbox (badness 10000) detected at line 78
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Underfull \hbox (badness 10000) detected at line 95
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Underfull \hbox (badness 10000) detected at line 120
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Underfull \hbox (badness 10000) detected at line 142
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Underfull \hbox (badness 10000) detected at line 164
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Underfull \hbox (badness 10000) detected at line 167
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Underfull \hbox (badness 10000) detected at line 191
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Underfull \hbox (badness 10000) detected at line 194
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Underfull \hbox (badness 10000) detected at line 216
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Underfull \hbox (badness 10000) detected at line 219
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Underfull \hbox (badness 10000) detected at line 241
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Underfull \hbox (badness 10000) detected at line 244
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Underfull \hbox (badness 10000) detected at line 266
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Underfull \hbox (badness 10000) detected at line 269
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Overfull \vbox (2.76398pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 291
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Underfull \hbox (badness 10000) detected at line 294
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Underfull \hbox (badness 10000) detected at line 316
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Underfull \hbox (badness 10000) detected at line 336
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Underfull \hbox (badness 10000) detected at line 339
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Underfull \hbox (badness 10000) detected at line 361
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Underfull \hbox (badness 10000) detected at line 364
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Underfull \hbox (badness 10000) detected at line 367
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Underfull \hbox (badness 10000) detected at line 393
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Underfull \hbox (badness 10000) detected at line 396
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Underfull \hbox (badness 10000) detected at line 399
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Underfull \hbox (badness 10000) detected at line 427
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Underfull \hbox (badness 10000) detected at line 430
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Underfull \hbox (badness 10000) detected at line 433
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) (./group___vatom.tex [153] [154]
Underfull \hbox (badness 10000) detected at line 98
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Underfull \hbox (badness 10000) detected at line 118
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Underfull \hbox (badness 10000) detected at line 142
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Underfull \hbox (badness 10000) detected at line 166
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Underfull \hbox (badness 10000) detected at line 169
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Underfull \hbox (badness 10000) detected at line 186
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Underfull \hbox (badness 10000) detected at line 194
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Underfull \hbox (badness 10000) detected at line 211
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Underfull \hbox (badness 10000) detected at line 233
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Underfull \hbox (badness 10000) detected at line 255
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Underfull \hbox (badness 10000) detected at line 263
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Underfull \hbox (badness 10000) detected at line 280
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Underfull \hbox (badness 10000) detected at line 304
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Underfull \hbox (badness 10000) detected at line 312
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Underfull \hbox (badness 10000) detected at line 329
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Underfull \hbox (badness 10000) detected at line 337
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Underfull \hbox (badness 10000) detected at line 362
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Underfull \hbox (badness 10000) detected at line 379
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Underfull \hbox (badness 10000) detected at line 387
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Underfull \hbox (badness 10000) detected at line 404
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Underfull \hbox (badness 10000) detected at line 412
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Underfull \hbox (badness 10000) detected at line 429
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Underfull \hbox (badness 10000) detected at line 453
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Underfull \hbox (badness 10000) detected at line 461
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Underfull \hbox (badness 10000) detected at line 478
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Underfull \hbox (badness 10000) detected at line 502
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Underfull \hbox (badness 10000) detected at line 526
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Underfull \hbox (badness 10000) detected at line 574
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Underfull \hbox (badness 10000) detected at line 598
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Underfull \hbox (badness 10000) detected at line 622
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Underfull \hbox (badness 10000) detected at line 646
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) (./group___vcap.tex [163]
Underfull \hbox (badness 10000) detected at line 38
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Underfull \hbox (badness 10000) detected at line 60
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Underfull \hbox (badness 10000) detected at line 63
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Underfull \hbox (badness 10000) detected at line 90
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Underfull \hbox (badness 10000) detected at line 93
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Underfull \hbox (badness 10000) detected at line 96
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Underfull \hbox (badness 10000) detected at line 123
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Underfull \hbox (badness 10000) detected at line 126
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Underfull \hbox (badness 10000) detected at line 129
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) (./group___vclist.tex [166]
Underfull \hbox (badness 10000) detected at line 84
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Underfull \hbox (badness 10000) detected at line 114
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Underfull \hbox (badness 10000) detected at line 117
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Underfull \hbox (badness 10000) detected at line 149
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Underfull \hbox (badness 10000) detected at line 152
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Underfull \hbox (badness 10000) detected at line 208
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Underfull \hbox (badness 10000) detected at line 230
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Underfull \hbox (badness 10000) detected at line 260
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Underfull \hbox (badness 10000) detected at line 282
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Underfull \hbox (badness 10000) detected at line 285
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Underfull \hbox (badness 10000) detected at line 307
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Underfull \hbox (badness 10000) detected at line 310
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Underfull \hbox (badness 10000) detected at line 332
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Underfull \hbox (badness 10000) detected at line 335
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Overfull \vbox (1.7977pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 359
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Underfull \hbox (badness 10000) detected at line 381
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) (./group___vgreen.tex [172]
Underfull \hbox (badness 10000) detected at line 58
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Underfull \hbox (badness 10000) detected at line 61
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[173] [174]
Underfull \hbox (badness 10000) detected at line 125
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Underfull \hbox (badness 10000) detected at line 143
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Underfull \hbox (badness 10000) detected at line 162
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Overfull \vbox (28.4242pt too high) has occurred while \output is active
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Underfull \hbox (badness 10000) detected at line 180
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Underfull \hbox (badness 10000) detected at line 199
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Underfull \hbox (badness 10000) detected at line 223
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Underfull \hbox (badness 10000) detected at line 242
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Underfull \hbox (badness 10000) detected at line 266
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Underfull \hbox (badness 10000) detected at line 283
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Underfull \hbox (badness 10000) detected at line 291
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Underfull \hbox (badness 10000) detected at line 308
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Underfull \hbox (badness 10000) detected at line 318
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Underfull \hbox (badness 10000) detected at line 335
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Underfull \hbox (badness 10000) detected at line 357
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Underfull \hbox (badness 10000) detected at line 379
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Underfull \hbox (badness 10000) detected at line 413
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Underfull \hbox (badness 10000) detected at line 433
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[]                                                                        \T1/p
cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
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ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
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Portions Copyright (c) 2002-2020, Washington University in St. Louis.  Portions
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he Regents of the University of California. Portions Copyright (c) 1995, Michae
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Chapter 1.
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Chapter 2.
(./bug.tex [5] [6]) [7] [8]
Chapter 3.
(./deprecated.tex) [9] [10]
Chapter 4.
(./modules.tex) [11] [12]
Chapter 5.
(./annotated.tex [13]) [14]
Chapter 6.
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Chapter 7.
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) (./group___p_b_a_mparm.tex [105] [106]
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Underfull \hbox (badness 10000) detected at line 1117
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Underfull \hbox (badness 10000) detected at line 1120
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) (./group___valist.tex [146]
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) (./group___vatom.tex [153] [154]
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[173] [174]
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LaTeX Warning: Command \r invalid in math mode on input line 58.
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Underfull \hbox (badness 10000) detected at line 719
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[]                                                                        \T1/p
cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[305]
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[312]
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 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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[324]
Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 3144
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[325]
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[326]
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[327]
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[333]
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[334]
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[338]
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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[341]
Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[350]
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Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782
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ated by Battelle Memorial Institute,[] 
Underfull \hbox (badness 10000) detected at line 4820
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[354]
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 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper
ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[357]
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) (./group___frontend.tex
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[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS
/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, []
[362]
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[]\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10
 ^^C$\T1/phv/m/n/10 diel[]YMap[][][],
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[]\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh
, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1
0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][],
Underfull \hbox (badness 1910) in paragraph at lines 62--63
[] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1
/phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][]
[], []
Underfull \hbox (badness 1237) in paragraph at lines 62--63
\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C
$\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], 
[]
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\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
Underfull \hbox (badness 5817) in paragraph at lines 82--83
\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
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Underfull \hbox (badness 10000) in paragraph at lines 1103--1104
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[1085] [1086] [1087] [1088]) (./vpmg_8h.tex <./vpmg_8h__incl.pdf
pdfTeX warning: pdflatex (file ./vpmg_8h__incl.pdf): PDF inclusion: multiple pd
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) (./vpmg_8h_source.tex [1108] [1109] [1110] [1111] [1112] [1113] [1114]
[1115] [1116]) (./vpmgp_8c.tex <./vpmgp_8c__incl.pdf
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) (./vpmgp_8c_source.tex [1119] [1120] [1121] [1122]) (./vpmgp_8h.tex <./vpmgp_
8h__incl.pdf
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.pdf
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\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv
/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], 
[] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]
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\T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[]
[][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], []
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\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C
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[]
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[]\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem
, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy
/m/n/10 ^^C$\T1/phv/m/n/10 atom[]
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\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
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[]\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com,
 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy/
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 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T
1/phv/m/n/10 fetk[][][], Gem
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C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS
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[1130]
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[1193] [1194] [1195] [1196] [1197] [1198] [1199]) (./routines_8h.tex <./routine
s_8h__incl.pdf
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[]\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10
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[]\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh
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[], []
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[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
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[1203]) (./routines_8h_source.tex [1204] [1205] [1206] [1207]) [1208]
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LaTeX Warning: There were undefined references.
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 )
(see the transcript file for additional information)pdfTeX warning (dest): name
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Chapter 5.
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Chapter 6.
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) [18]
Chapter 7.
(./group___header.tex) (./group___vcsm.tex [19]
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[]                                                                        \T1/p
cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] 
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[230]) (./group___vmgrid.tex [231]
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) (./group___vopot.tex [236]
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[266]
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) (./group___vpmgp.tex [267]
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[269]
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) (./group___p_m_g_c.tex [270] [271] [272] [273] [274]
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 212
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[275]
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 227--227
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 277
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 355--355
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 404--404
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 518--518
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partment Energy.[] 
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 568--568
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[286] [287]
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[297]
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
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 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
[307]
Underfull \hbox (badness 10000) detected at line 2121
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 2168
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
Underfull \hbox (badness 10000) detected at line 2365
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[312]
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 2602
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
Underfull \hbox (badness 10000) detected at line 2797
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Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809
 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop
ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
[319]
Underfull \hbox (badness 10000) detected at line 2844
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Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060
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ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De
partment Energy.[] 
Underfull \hbox (badness 10000) detected at line 3097
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[324]
Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
Underfull \hbox (badness 10000) detected at line 3144
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial 
Institute, Pacific Northwest Division for the U.S. Department Energy.  Portions
 Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyrig
ht (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regen
ts of the University of California. Portions Copyright (c) 1995, Michael Holst.
[] 
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) (./group___frontend.tex
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[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS
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[]\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10
 ^^C$\T1/phv/m/n/10 diel[]YMap[][][],
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[]\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh
, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1
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[] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1
/phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][]
[], []
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\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C
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[]
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\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
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atom[]Energy[][][], int nforce[][][],
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) [391] [392]
Chapter 8.
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[] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]
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\T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[]
[][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], []
Underfull \hbox (badness 1237) in paragraph at lines 47--48
\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C
$\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], 
[]
Underfull \hbox (badness 905) in paragraph at lines 61--62
[]\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem
, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy
/m/n/10 ^^C$\T1/phv/m/n/10 atom[]
Underfull \hbox (badness 5817) in paragraph at lines 67--68
\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
Underfull \hbox (badness 5817) in paragraph at lines 69--70
\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
[1129]
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[]\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com,
 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy/
m/n/10 ^^C$\T1/phv/m/n/10 atom[]
Underfull \hbox (badness 931) in paragraph at lines 87--88
[]\T1/phv/m/n/10 VPUBLIC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T
1/phv/m/n/10 fetk[][][], Gem
Underfull \hbox (badness 2495) in paragraph at lines 89--90
[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS
/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, []
[1130]
Underfull \hbox (badness 10000) detected at line 116
[][][]
Underfull \hbox (badness 10000) detected at line 119
[][][]
Underfull \hbox (badness 10000) detected at line 122
[][][]
) (./routines_8c_source.tex [1131] [1132] [1133] [1134] [1135] [1136] [1137]
[1138] [1139] [1140] [1141] [1142] [1143] [1144] [1145] [1146] [1147] [1148]
[1149] [1150] [1151] [1152] [1153] [1154] [1155] [1156] [1157] [1158] [1159]
[1160] [1161] [1162] [1163] [1164] [1165] [1166] [1167] [1168] [1169] [1170]
[1171] [1172] [1173] [1174] [1175] [1176] [1177] [1178] [1179] [1180] [1181]
[1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192]
[1193] [1194] [1195] [1196] [1197] [1198] [1199]) (./routines_8h.tex <./routine
s_8h__incl.pdf
pdfTeX warning: pdflatex (file ./routines_8h__incl.pdf): PDF inclusion: multipl
e pdfs with page group included in a single page
> <./routines_8h__dep__incl.pdf
pdfTeX warning: pdflatex (file ./routines_8h__dep__incl.pdf): PDF inclusion: mu
ltiple pdfs with page group included in a single page
> [1200]
Overfull \hbox (16.65858pt too wide) in paragraph at lines 50--51
[]\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh,
 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10
 ^^C$\T1/phv/m/n/10 diel[]YMap[][][],
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[]\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh
, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1
0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][],
Underfull \hbox (badness 1910) in paragraph at lines 70--71
[] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1
/phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][]
[], []
Underfull \hbox (badness 1237) in paragraph at lines 70--71
\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C
$\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], 
[]
[1201]
Underfull \hbox (badness 5817) in paragraph at lines 88--89
\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
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\T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 
atom[]Energy[][][], int nforce[][][],
[1202]
Underfull \hbox (badness 2495) in paragraph at lines 122--123
[]\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^
C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS
/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, []
Underfull \hbox (badness 10000) detected at line 145
[][][]
Underfull \hbox (badness 10000) detected at line 148
[][][]
Underfull \hbox (badness 10000) detected at line 151
[][][]
[1203]) (./routines_8h_source.tex [1204] [1205] [1206] [1207]) [1208]
(./refman.ind [1209] [1210] [1211] [1212] [1213] [1214] [1215] [1216] [1217]
[1218] [1219] [1220] [1221] [1222] [1223] [1224] [1225] [1226] [1227] [1228]
[1229] [1230] [1231] [1232] [1233] [1234] [1235] [1236] [1237] [1238] [1239]
[1240] [1241] [1242] [1243] [1244] [1245] [1246]) (./refman.aux)
LaTeX Warning: There were undefined references.
LaTeX Warning: There were multiply-defined labels.
 )
(see the transcript file for additional information)pdfTeX warning (dest): name
{vmatrix_8h_source_l00084} has been referenced but does not exist, replaced by 
a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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s not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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does not exist, replaced by a fixed one
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does not exist, replaced by a fixed one
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does not exist, replaced by a fixed one
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does not exist, replaced by a fixed one
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does not exist, replaced by a fixed one
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does not exist, replaced by a fixed one
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does not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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es not exist, replaced by a fixed one
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 exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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oes not exist, replaced by a fixed one
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Output written on refman.pdf (1290 pages, 4578058 bytes).
Transcript written on refman.log.
make[3]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/latex'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 55%] Built target doc-pdf
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target mgmesh
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 57%] Built target mgmesh
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target smooth
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 59%] Built target smooth
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target dxmath
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 62%] Built target dxmath
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target mergedx
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 64%] Built target mergedx
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target mergedx2
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 66%] Built target mergedx2
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target value
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 68%] Built target value
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target multivalue
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 71%] Built target multivalue
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target benchmark
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 73%] Built target benchmark
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target similarity
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 75%] Built target similarity
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target analysis
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 78%] Built target analysis
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target dx2mol
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 80%] Built target dx2mol
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target dx2uhbd
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 82%] Built target dx2uhbd
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target del2dx
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 85%] Built target del2dx
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target tensor2dx
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 87%] Built target tensor2dx
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target uhbd_asc2bin
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 89%] Built target uhbd_asc2bin
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target coulomb
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 91%] Built target coulomb
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target born
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 94%] Built target born
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 95%] Built target apbslib_swig_compilation
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target _apbslib
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[ 97%] Built target _apbslib
make[2]: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build'
Consolidate compiler generated dependencies of target iapbs
make[2]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
[100%] Built target iapbs
make[1]: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
Install the project...
-- Install configuration: "Release"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/programmer.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/tabs.css
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/jquery.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/menu.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/dynsections.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/tab_a.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/tab_b.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/tab_h.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/tab_s.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/nav_h.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/nav_f.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/bc_s.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/doxygen.svg
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/closed.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/open.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/bdwn.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/sync_on.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/sync_off.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/nav_g.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/doxygen.css
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/search_l.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/search_m.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/search_r.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/close.svg
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/mag_sel.svg
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/search.css
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_0.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_0.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_1.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_1.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_2.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_2.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_3.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_3.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_4.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_4.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_5.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_5.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_6.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_6.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_7.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_7.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_8.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_8.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_9.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_9.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_a.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_a.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_b.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_b.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_c.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_d.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_d.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_e.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_e.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_f.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_f.js
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-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_10.js
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-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_11.js
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-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_12.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_13.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_13.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_14.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_14.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_15.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_15.js
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_16.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_16.js
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-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_17.js
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-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_18.js
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-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/search/all_19.js
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-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8h__dep__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpbe_8h__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpee_8h__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8h__dep__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8h__dep__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8c__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpee_8h__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpee_8h__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8h__dep__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8c__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8h__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8h__dep__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8h__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8h__dep__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8c__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8c__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8c__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8h__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8h__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8h__dep__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vhal_8h__dep__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vhal_8h__dep__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8c__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8c__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8h__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vunit_8h__dep__incl.png
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8h__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8h__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vunit_8h__dep__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vunit_8h__dep__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8h__dep__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8h__dep__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8h__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8h__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8c__incl.map
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8c__incl.md5
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/apbs_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/apolparm_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/bemparm_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/dir_1d197ef0d9947f4cc1ac44e7f59e2b57.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/dir_325c623946aaadef5114ca9e069898d6.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/dir_68267d1309a1af8e8297ef4c3efbcdba.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/dir_e7eac49c1a1228b34aea87d37b387ddc.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/femparm_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/femparm_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/geoflowparm_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/geoflowparm_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/main_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/mgparm_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/mgparm_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/nosh_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/nosh_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/pbamparm_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/pbamparm_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/pbeparm_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/pbeparm_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/pbsamparm_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/pbsamparm_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/routines_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/routines_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vacc_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vacc_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/valist_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/valist_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vatom_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vatom_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vcap_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vcap_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vclist_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vclist_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vcsm_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vcsm_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vfetk_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vfetk_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vgreen_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vgreen_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vgrid_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vgrid_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vhal_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vmatrix_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vmgrid_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vmgrid_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vopot_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vopot_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vparam_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vparam_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpbe_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpbe_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpee_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpee_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmg_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vpmgp_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8c.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vstring_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/html/vunit_8h.html
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/doc/programmer/programmer.pdf
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/mgmesh
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/smooth
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/dxmath
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/mergedx
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/mergedx2
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/value
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/multivalue
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/benchmark
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/similarity
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/analysis
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/dx2mol
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/dx2uhbd
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/del2dx
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/tensor2dx
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/uhbd_asc2bin
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/coulomb
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs/tools/bin/born
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/libapbs.so.1
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/libapbs.so.1" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/libapbs.so
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/apbscfg.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/apbs.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/routines.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/nosh.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/mgparm.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/femparm.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/pbamparm.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/pbsamparm.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/pbeparm.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/bemparm.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/geoflowparm.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/apolparm.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vacc.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/valist.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vatom.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vpbe.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vcap.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vclist.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vstring.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vparam.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vgreen.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vmatrix.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vhal.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/generic/vunit.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/buildAd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/buildBd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/buildGd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/buildPd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/cgd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/gsd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/matvecd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/mgcsd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/mgdrvd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/mgsubd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/mikpckd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/mlinpckd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/mypdec.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/newtond.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/newdrvd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/powerd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/smoothd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/pmgc/mgfasd.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/mg/vgrid.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/mg/vmgrid.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/mg/vopot.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/mg/vpmg.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/apbs/mg/vpmgp.h
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mgmesh
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mgmesh" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/smooth
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/smooth" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dxmath
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dxmath" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx2
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx2" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/value
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/value" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/multivalue
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/multivalue" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/benchmark
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/benchmark" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/similarity
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/similarity" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/analysis
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/analysis" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2mol
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2mol" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2uhbd
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2uhbd" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/del2dx
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/del2dx" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/tensor2dx
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/tensor2dx" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/uhbd_asc2bin
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/uhbd_asc2bin" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/coulomb
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/coulomb" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/born
-- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/born" to "/usr/lib"
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/libiapbs.a
-- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/include/iapbs/apbs_driver.h
make: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build'
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/coulomb
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/coulomb /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-coulomb
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/coulomb
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/born
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/born /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-born
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/born
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mgmesh
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mgmesh /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-mgmesh
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mgmesh
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dxmath
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dxmath /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-dxmath
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dxmath
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx2
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx2 /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-mergedx2
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx2
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-mergedx
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/mergedx
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/value
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/value /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-value
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/value
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/uhbd_asc2bin
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/uhbd_asc2bin /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-uhbd_asc2bin
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/uhbd_asc2bin
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/smooth
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/smooth /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-smooth
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/smooth
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2mol
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2mol /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-dx2mol
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2mol
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2uhbd
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2uhbd /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-dx2uhbd
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/dx2uhbd
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/similarity
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/similarity /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-similarity
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/similarity
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/multivalue
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/multivalue /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-multivalue
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/multivalue
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/benchmark
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/benchmark /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-benchmark
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/benchmark
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/analysis
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/analysis /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-analysis
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/analysis
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/del2dx
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/del2dx /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-del2dx
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/del2dx
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
++ basename /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/tensor2dx
+ cp -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/tensor2dx /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-tensor2dx
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/tensor2dx
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-coulomb
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-born
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-mgmesh
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-dxmath
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-mergedx2
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-mergedx
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-value
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-uhbd_asc2bin
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-smooth
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-dx2mol
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-dx2uhbd
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-similarity
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-multivalue
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-benchmark
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-analysis
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-del2dx
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ for bin in /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx}
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-tensor2dx
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
+ chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/libapbs.so.1
+ mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/python3.10/site-packages/apbs
+ install -pm 755 tools/manip/psize.py /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/python3.10/site-packages/apbs/
+ pathfix.py -pn -i /usr/bin/python3 /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/python3.10/site-packages/apbs/psize.py
/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/python3.10/site-packages/apbs/psize.py: updating
+ ln -s /usr/lib/python3.10/site-packages/apbs/psize.py /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-psize.py
+ install -pm 755 build/lib/_apbslib.so /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/python3.10/site-packages/apbs/
+ rm -rf /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/apbs
++ find /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm -type f '(' -name '*.a' ')'
+ for i in `find /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm -type f \( -name "*.a" \)`
+ rm -f /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/libiapbs.a
+ /usr/bin/find-debuginfo -j5 --strict-build-id -m -i --build-id-seed 3.0.0-14.fc36 --unique-debug-suffix -3.0.0-14.fc36.arm --unique-debug-src-base apbs-3.0.0-14.fc36.arm --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/apbs-3.0.0
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-benchmark
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-analysis
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-born
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-coulomb
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-del2dx
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-dx2mol
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-dx2uhbd
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-dxmath
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-mergedx
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-mergedx2
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-mgmesh
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-similarity
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-multivalue
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-smooth
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-tensor2dx
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-uhbd_asc2bin
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/bin/apbs-value
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/libapbs.so.1
extracting debug info from /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/python3.10/site-packages/apbs/_apbslib.so
original debug info size: 3988kB, size after compression: 3528kB
/usr/bin/sepdebugcrcfix: Updated 20 CRC32s, 0 CRC32s did match.
5153 blocks
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/check-rpaths
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
+ /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0
Bytecompiling .py files below /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/python3.10 using python3.10
Bytecompiling .py files below /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib/debug/usr/lib/python3.10 using python3.10
+ /usr/lib/rpm/redhat/brp-python-hardlink
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.G1nk1W
+ umask 022
+ cd /builddir/build/BUILD
+ '[' -f /builddir/build/BUILD/.package_note-apbs-3.0.0-14.fc36.arm.ld ']'
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -I/usr/lib/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong   -fcommon -march=armv7-a -mfpu=vfpv3-d16 -mtune=generic-armv7-a -mabi=aapcs-linux -mfloat-abi=hard -I/usr/lib/gfortran/modules'
+ export FCFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld   -Wl,--build-id=sha1 -Wl,-dT,/builddir/build/BUILD/.package_note-apbs-3.0.0-14.fc36.arm.ld'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib:
+ export LT_SYS_LIBRARY_PATH
~/build/BUILD/apbs-3.0.0/tests ~/build/BUILD/apbs-3.0.0
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd apbs-3.0.0
+ pushd tests
+ export LD_LIBRARY_PATH=/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib
+ LD_LIBRARY_PATH=/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/lib
+ /usr/bin/python3 ./apbs_tester.py
Testing all sections
The following sections will be tested: born, actin-dimer-auto, actin-dimer-parallel, alkanes, FKBP, hca-bind, ionize, ion-pmf, ion-protein, pka-lig, point-pmf, solv
================================================================================
Running tests for born section
--------------------------------------------------------------------------------
Testing forces from apbs-forces.in
Checking forces for input file apbs-forces.inChecking Polar ForcesChecking Apolar ForcesElapsed time: 0.003085 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-mol-auto.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-auto.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-auto.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.607073836227E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.383 x 0.383 x 0.383
  Grid lengths: 24.495 x 24.495 x 24.495
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.200266567971E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to potential.dx.gz
  Total electrostatic energy = 4.732245131587E+03 kJ/mol
  Calculating forces...
  Writing potential to potential.dx.gz
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.190871482831E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.383 x 0.383 x 0.383
  Grid lengths: 24.495 x 24.495 x 24.495
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.430874049735E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.962018684215E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -2.297735526282E+02 kJ/mol
  Global net ELEC energy = -2.297735526282E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-auto.out
RESULT 960.7073836227
RESULT 2200.266567971
RESULT 4732.245131587
RESULT 1190.871482831
RESULT 2430.874049735
RESULT 4962.018684215
RESULT -229.7735526282
Testing computed result 9.607073836227E+02 against expected result 9.607074E+02
*** PASSED ***
Testing computed result 2.200266567971E+03 against expected result 2.200267E+03
*** PASSED ***
Testing computed result 4.732245131587E+03 against expected result 4.732245E+03
*** PASSED ***
Testing computed result 1.190871482831E+03 against expected result 1.190871E+03
*** PASSED ***
Testing computed result 2.430874049735E+03 against expected result 2.430874E+03
*** PASSED ***
Testing computed result 4.962018684215E+03 against expected result 4.962019E+03
*** PASSED ***
Testing computed result -2.297735526282E+02 against expected result -2.297735E+02
*** PASSED ***
Elapsed time: 4.558647 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol-auto.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-auto.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-auto.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.532928767450E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.383 x 0.383 x 0.383
  Grid lengths: 24.495 x 24.495 x 24.495
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.201243880085E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.733006258977E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.190871482831E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.383 x 0.383 x 0.383
  Grid lengths: 24.495 x 24.495 x 24.495
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.430874049735E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.962018684215E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -2.290124252387E+02 kJ/mol
  Global net ELEC energy = -2.290124252387E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-auto.out
RESULT 953.292876745
RESULT 2201.243880085
RESULT 4733.006258977
RESULT 1190.871482831
RESULT 2430.874049735
RESULT 4962.018684215
RESULT -229.0124252387
Testing computed result 9.532928767450E+02 against expected result 9.532929E+02
*** PASSED ***
Testing computed result 2.201243880085E+03 against expected result 2.201244E+03
*** PASSED ***
Testing computed result 4.733006258977E+03 against expected result 4.733006E+03
*** PASSED ***
Testing computed result 1.190871482831E+03 against expected result 1.190871E+03
*** PASSED ***
Testing computed result 2.430874049735E+03 against expected result 2.430874E+03
*** PASSED ***
Testing computed result 4.962018684215E+03 against expected result 4.962019E+03
*** PASSED ***
Testing computed result -2.290124252387E+02 against expected result -2.290124E+02
*** PASSED ***
Elapsed time: 4.267347 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-mol-parallel.in
Splitting the input file into 4 separate files using the inputgen utility
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE0.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE0.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.401768459022E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (-2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.142935592471E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (-2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.485255308186E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.977178707009E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (-2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.799304557588E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (-2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.542873949131E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -5.761864094552E+01 kJ/mol
  Global net ELEC energy = -5.761864094552E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE0.out
Processor 0 results:
  2.401768459022E+02
  8.142935592471E+02
  1.485255308186E+03
  2.977178707009E+02
  8.799304557588E+02
  1.542873949131E+03
  -5.761864094552E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE1.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE1.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.401768459022E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.142778312125E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.485246667424E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.977178707009E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.799304557588E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.542873949131E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -5.762728170718E+01 kJ/mol
  Global net ELEC energy = -5.762728170718E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE1.out
Processor 1 results:
  2.401768459022E+02
  8.142778312125E+02
  1.485246667424E+03
  2.977178707009E+02
  8.799304557588E+02
  1.542873949131E+03
  -5.762728170718E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE2.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE2.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.401768459091E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (-2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.142935605696E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (-2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.485255306569E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.977178707146E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (-2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.799304557596E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (-2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.542873949141E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -5.761864257239E+01 kJ/mol
  Global net ELEC energy = -5.761864257239E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE2.out
Processor 2 results:
  2.401768459091E+02
  8.142935605696E+02
  1.485255306569E+03
  2.977178707146E+02
  8.799304557596E+02
  1.542873949141E+03
  -5.761864257239E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE3.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE3.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.401768459091E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.142778325440E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.485246665692E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.977178707146E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.799304557596E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.542873949141E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -5.762728344954E+01 kJ/mol
  Global net ELEC energy = -5.762728344954E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE3.out
Processor 3 results:
  2.401768459091E+02
  8.142778325440E+02
  1.485246665692E+03
  2.977178707146E+02
  8.799304557596E+02
  1.542873949141E+03
  -5.762728344954E+01
RESULT 960.7073836226
RESULT 3257.1427835731997
RESULT 5941.0039478710005
RESULT 1190.8714828309999
RESULT 3519.7218230368003
RESULT 6171.495796544
RESULT -230.49184867463003
Testing computed result 9.607073836226E+02 against expected result 9.607074E+02
*** PASSED ***
Testing computed result 3.257142783573E+03 against expected result 3.257143E+03
*** PASSED ***
Testing computed result 5.941003947871E+03 against expected result 5.941004E+03
*** PASSED ***
Testing computed result 1.190871482831E+03 against expected result 1.190871E+03
*** PASSED ***
Testing computed result 3.519721823037E+03 against expected result 3.519722E+03
*** PASSED ***
Testing computed result 6.171495796544E+03 against expected result 6.171496E+03
*** PASSED ***
Testing computed result -2.304918486746E+02 against expected result -2.304918E+02
*** PASSED ***
Elapsed time: 20.256661 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol-parallel.in
Splitting the input file into 4 separate files using the inputgen utility
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE0.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE0.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.383232191816E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (-2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.145369591602E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (-2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.485524998001E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.977178707009E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (-2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.799304557588E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (-2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.542873949131E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -5.734895113069E+01 kJ/mol
  Global net ELEC energy = -5.734895113069E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE0.out
Processor 0 results:
  2.383232191816E+02
  8.145369591602E+02
  1.485524998001E+03
  2.977178707009E+02
  8.799304557588E+02
  1.542873949131E+03
  -5.734895113069E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE1.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE1.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.383232191816E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.145419898332E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.485529328612E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.977178707009E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.799304557588E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (2.411, -2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.542873949131E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -5.734462051928E+01 kJ/mol
  Global net ELEC energy = -5.734462051928E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE1.out
Processor 1 results:
  2.383232191816E+02
  8.145419898332E+02
  1.485529328612E+03
  2.977178707009E+02
  8.799304557588E+02
  1.542873949131E+03
  -5.734462051928E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE2.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE2.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.383232191909E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (-2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.145369593489E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (-2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.485524997676E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.977178707146E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (-2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.799304557596E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (-2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.542873949141E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -5.734895146550E+01 kJ/mol
  Global net ELEC energy = -5.734895146550E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE2.out
Processor 2 results:
  2.383232191909E+02
  8.145369593489E+02
  1.485524997676E+03
  2.977178707146E+02
  8.799304557596E+02
  1.542873949141E+03
  -5.734895146550E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE3.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE3.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading XML-format atom data from ion.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 61.262 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.383232191909E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.145419900310E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #3 (solvated): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.262 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.485529328301E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.781 x 0.781 x 0.781
  Grid lengths: 50.000 x 50.000 x 50.000
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.977178707146E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.296 x 0.296 x 0.383
  Grid lengths: 18.944 x 18.944 x 24.495
  Grid center: (2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.799304557596E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (reference): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.189 MB total, 122.067 MB high water
  Using cubic spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 1
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.112 x 0.112 x 0.188
  Grid lengths: 7.178 x 7.178 x 12.000
  Grid center: (2.411, 2.411, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.542873949141E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (solvated) - 2 (reference) end
  Local net energy (PE 0) = -5.734462084052E+01 kJ/mol
  Global net ELEC energy = -5.734462084052E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 122.067 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE3.out
Processor 3 results:
  2.383232191909E+02
  8.145419900310E+02
  1.485529328301E+03
  2.977178707146E+02
  8.799304557596E+02
  1.542873949141E+03
  -5.734462084052E+01
RESULT 953.292876745
RESULT 3258.1578983732998
RESULT 5942.108652589999
RESULT 1190.8714828309999
RESULT 3519.7218230368003
RESULT 6171.495796544
RESULT -229.38714395599
Testing computed result 9.532928767450E+02 against expected result 9.532929E+02
*** PASSED ***
Testing computed result 3.258157898373E+03 against expected result 3.258158E+03
*** PASSED ***
Testing computed result 5.942108652590E+03 against expected result 5.942109E+03
*** PASSED ***
Testing computed result 1.190871482831E+03 against expected result 1.190871E+03
*** PASSED ***
Testing computed result 3.519721823037E+03 against expected result 3.519722E+03
*** PASSED ***
Testing computed result 6.171495796544E+03 against expected result 6.171496E+03
*** PASSED ***
Testing computed result -2.293871439560E+02 against expected result -2.293871E+02
*** PASSED ***
Elapsed time: 20.120305 seconds
--------------------------------------------------------------------------------
Total elapsed time: 49.206045 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for actin-dimer-auto section
--------------------------------------------------------------------------------
Testing input file apbs-mol-auto.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-auto.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-auto.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1004.896 MB total, 1004.896 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.975 x 0.756 x 1.012
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.527617850342E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1004.896 MB total, 1995.284 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.700 x 0.569 x 0.725
  Grid lengths: 112.000 x 91.000 x 116.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.919510754196E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1005.881 MB total, 1995.284 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.975 x 0.756 x 1.012
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.527671844880E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1005.881 MB total, 1997.252 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.700 x 0.569 x 0.725
  Grid lengths: 112.000 x 91.000 x 116.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.915468859278E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1018.381 MB total, 1997.252 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.975 x 0.756 x 1.012
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.056317807611E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1018.381 MB total, 2013.407 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.700 x 0.569 x 0.725
  Grid lengths: 112.000 x 91.000 x 116.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 5.836028296532E+05 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 2 (mol2) - 1 (mol1) end
  Local net energy (PE 0) = 1.048683058628E+02 kJ/mol
  Global net ELEC energy = 1.048683058628E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 2013.407 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-auto.out
RESULT 152761.7850342
RESULT 291951.0754196
RESULT 152767.184488
RESULT 291546.8859278
RESULT 305631.7807611
RESULT 583602.8296532
RESULT 104.8683058628
Testing computed result 1.527617850342E+05 against expected result 1.527618E+05
*** PASSED ***
Testing computed result 2.919510754196E+05 against expected result 2.919511E+05
*** PASSED ***
Testing computed result 1.527671844880E+05 against expected result 1.527672E+05
*** PASSED ***
Testing computed result 2.915468859278E+05 against expected result 2.915469E+05
*** PASSED ***
Testing computed result 3.056317807611E+05 against expected result 3.056318E+05
*** PASSED ***
Testing computed result 5.836028296532E+05 against expected result 5.836028E+05
*** PASSED ***
Testing computed result 1.048683058628E+02 against expected result 1.048683E+02
*** PASSED ***
Elapsed time: 250.301175 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol-auto.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-auto.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-auto.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1004.896 MB total, 1004.896 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.975 x 0.756 x 1.012
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.528632421825E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1004.896 MB total, 1995.284 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.700 x 0.569 x 0.725
  Grid lengths: 112.000 x 91.000 x 116.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.920618662320E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1005.881 MB total, 1995.284 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.975 x 0.756 x 1.012
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.529297900572E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1005.881 MB total, 1997.252 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.700 x 0.569 x 0.725
  Grid lengths: 112.000 x 91.000 x 116.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.916592202835E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1018.381 MB total, 1997.252 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.975 x 0.756 x 1.012
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.059244262535E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  1018.381 MB total, 2013.407 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 161 x 161 x 161
  Grid spacings: 0.700 x 0.569 x 0.725
  Grid lengths: 112.000 x 91.000 x 116.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 5.838306706232E+05 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 2 (mol2) - 1 (mol1) end
  Local net energy (PE 0) = 1.095841077691E+02 kJ/mol
  Global net ELEC energy = 1.095841077691E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 2013.407 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-auto.out
RESULT 152863.2421825
RESULT 292061.866232
RESULT 152929.7900572
RESULT 291659.2202835
RESULT 305924.4262535
RESULT 583830.6706232
RESULT 109.5841077691
Testing computed result 1.528632421825E+05 against expected result 1.528632E+05
*** PASSED ***
Testing computed result 2.920618662320E+05 against expected result 2.920619E+05
*** PASSED ***
Testing computed result 1.529297900572E+05 against expected result 1.529298E+05
*** PASSED ***
Testing computed result 2.916592202835E+05 against expected result 2.916592E+05
*** PASSED ***
Testing computed result 3.059244262535E+05 against expected result 3.059244E+05
*** PASSED ***
Testing computed result 5.838306706232E+05 against expected result 5.838307E+05
*** PASSED ***
Testing computed result 1.095841077691E+02 against expected result 1.095841E+02
*** PASSED ***
Elapsed time: 197.385336 seconds
--------------------------------------------------------------------------------
Total elapsed time: 447.686511 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for actin-dimer-parallel section
--------------------------------------------------------------------------------
Testing input file apbs-mol-parallel.in
Splitting the input file into 8 separate files using the inputgen utility
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE0.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE0.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.335181353180E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.307364282738E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.892640552270E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.287357981689E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.237489755360E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 3.595556713401E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE0.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 8.344489735027E+00 kJ/mol
  Global net ELEC energy = 8.344489735027E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE0.out
Processor 0 results:
  1.335181353180E+03
  1.307364282738E+04
  2.892640552270E+03
  2.287357981689E+04
  4.237489755360E+03
  3.595556713401E+04
  8.344489735027E+00
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE1.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE1.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.161150884899E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.271349239954E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -1.084559511557E-01 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -9.159185455930E-02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.161009682231E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 9.271249973273E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE1.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = -9.010749548383E-01 kJ/mol
  Global net ELEC energy = -9.010749548383E-01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE1.out
Processor 1 results:
  1.161150884899E+04
  9.271349239954E+04
  1.084559511557E-01
  9.159185455930E-02
  1.161009682231E+04
  9.271249973273E+04
  -9.010749548383E-01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE2.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE2.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -1.533327920982E+01 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.349327483109E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.753646268927E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.716901575464E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.760706267384E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 3.753396861378E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE2.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 3.002011083291E+01 kJ/mol
  Global net ELEC energy = 3.002011083291E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE2.out
Processor 2 results:
  1.533327920982E+01
  3.349327483109E+02
  4.753646268927E+03
  3.716901575464E+04
  4.760706267384E+03
  3.753396861378E+04
  3.002011083291E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE3.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE3.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.803290534287E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.400275505449E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -8.150603559111E-01 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -8.573366340513E-01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.804039178218E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 1.400354034488E+05 kJ/mol
  Calculating forces...
  Writing potential to pot-PE3.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 8.710240552123E+00 kJ/mol
  Global net ELEC energy = 8.710240552123E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE3.out
Processor 3 results:
  1.803290534287E+04
  1.400275505449E+05
  8.150603559111E-01
  8.573366340513E-01
  1.804039178218E+04
  1.400354034488E+05
  8.710240552123E+00
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE4.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE4.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.015087619451E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.216054441666E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.620207421716E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.273875050379E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.666622027749E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 1.306246439444E+05 kJ/mol
  Calculating forces...
  Writing potential to pot-PE4.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 2.108446480102E+01 kJ/mol
  Global net ELEC energy = 2.108446480102E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE4.out
Processor 4 results:
  4.015087619451E+02
  3.216054441666E+03
  1.620207421716E+04
  1.273875050379E+05
  1.666622027749E+04
  1.306246439444E+05
  2.108446480102E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE5.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE5.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.100112513614E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.662571883858E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -4.370921758038E-01 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -4.013366922344E-01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.115105077953E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 1.662768924081E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE5.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 2.371738924664E+00 kJ/mol
  Global net ELEC energy = 2.371738924664E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE5.out
Processor 5 results:
  2.100112513614E+03
  1.662571883858E+04
  4.370921758038E-01
  4.013366922344E-01
  2.115105077953E+03
  1.662768924081E+04
  2.371738924664E+00
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE6.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE6.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -2.817378781616E+00 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -1.959534462269E+00 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.176793266728E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.643533578081E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.176229449467E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 9.643148330287E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE6.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = -1.892943480823E+00 kJ/mol
  Global net ELEC energy = -1.892943480823E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE6.out
Processor 6 results:
  2.817378781616E+00
  1.959534462269E+00
  1.176793266728E+04
  9.643533578081E+04
  1.176229449467E+04
  9.643148330287E+04
  -1.892943480823E+00
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-parallel-PE7.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-parallel-PE7.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.428230292158E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.199832997920E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.881300088062E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.152799174875E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.847712854852E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 2.618156668929E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE7.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 3.043753521011E+01 kJ/mol
  Global net ELEC energy = 3.043753521011E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-parallel-PE7.out
Processor 7 results:
  2.428230292158E+03
  2.199832997920E+04
  3.881300088062E+02
  4.152799174875E+03
  2.847712854852E+03
  2.618156668929E+04
  3.043753521011E+01
RESULT 35927.59777074854
RESULT 287991.6813140391
RESULT 36005.78432292607
RESULT 288019.58583029587
RESULT 72040.017332199
RESULT 576102.8221066899
RESULT 98.1745616201927
Testing computed result 3.592759777075E+04 against expected result 3.592760E+04
*** PASSED ***
Testing computed result 2.879916813140E+05 against expected result 2.879917E+05
*** PASSED ***
Testing computed result 3.600578432293E+04 against expected result 3.600578E+04
*** PASSED ***
Testing computed result 2.880195858303E+05 against expected result 2.880196E+05
*** PASSED ***
Testing computed result 7.204001733220E+04 against expected result 7.204002E+04
*** PASSED ***
Testing computed result 5.761028221067E+05 against expected result 5.761028E+05
*** PASSED ***
Testing computed result 9.817456162019E+01 against expected result 9.817456E+01
*** PASSED ***
Elapsed time: 709.853092 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol-parallel.in
Splitting the input file into 8 separate files using the inputgen utility
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE0.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE0.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.371266245949E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.306912276054E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.977036667733E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.288057348250E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.356039288708E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 3.595842845220E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE0.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 8.732209150865E+00 kJ/mol
  Global net ELEC energy = 8.732209150865E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE0.out
Processor 0 results:
  1.371266245949E+03
  1.306912276054E+04
  2.977036667733E+03
  2.288057348250E+04
  4.356039288708E+03
  3.595842845220E+04
  8.732209150865E+00
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE1.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE1.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.183935033618E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.276168507128E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -1.420924995464E-01 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -1.129046670919E-01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.183791435221E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, -6.674)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 9.276041697078E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE1.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = -1.155195837104E+00 kJ/mol
  Global net ELEC energy = -1.155195837104E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE1.out
Processor 1 results:
  1.183935033618E+04
  9.276168507128E+04
  1.420924995464E-01
  1.129046670919E-01
  1.183791435221E+04
  9.276041697078E+04
  -1.155195837104E+00
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE2.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE2.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -9.992726432058E+00 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.375960934473E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.863608503641E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.720602537782E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.896854387650E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 3.757590620855E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE2.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 3.228473728523E+01 kJ/mol
  Global net ELEC energy = 3.228473728523E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE2.out
Processor 2 results:
  9.992726432058E+00
  3.375960934473E+02
  4.863608503641E+03
  3.720602537782E+04
  4.896854387650E+03
  3.757590620855E+04
  3.228473728523E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE3.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE3.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.826846317904E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.401007397614E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -9.966525690477E-01 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -8.961424692860E-01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.827933209233E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, -6.674)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 1.401092487740E+05 kJ/mol
  Calculating forces...
  Writing potential to pot-PE3.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 9.405155087970E+00 kJ/mol
  Global net ELEC energy = 9.405155087970E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE3.out
Processor 3 results:
  1.826846317904E+04
  1.401007397614E+05
  9.966525690477E-01
  8.961424692860E-01
  1.827933209233E+04
  1.401092487740E+05
  9.405155087970E+00
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE4.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE4.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.021998204986E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.215581388579E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.644646339930E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.274227930024E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.689865332202E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 1.306747503910E+05 kJ/mol
  Calculating forces...
  Writing potential to pot-PE4.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 3.637600005489E+01 kJ/mol
  Global net ELEC energy = 3.637600005489E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE4.out
Processor 4 results:
  4.021998204986E+02
  3.215581388579E+03
  1.644646339930E+04
  1.274227930024E+05
  1.689865332202E+04
  1.306747503910E+05
  3.637600005489E+01
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE5.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE5.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.187673595319E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.663590032901E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -4.710032885061E-01 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -4.849499127484E-01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.189033693728E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, -20.834, 40.159)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 1.663641996916E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE5.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 1.004590063272E+00 kJ/mol
  Global net ELEC energy = 1.004590063272E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE5.out
Processor 5 results:
  2.187673595319E+03
  1.663590032901E+04
  4.710032885061E-01
  4.849499127484E-01
  2.189033693728E+03
  1.663641996916E+04
  1.004590063272E+00
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE6.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE6.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -4.897659240526E+00 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = -2.552765434658E+00 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.200266111088E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.646358551314E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.199560371894E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (-20.091, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 9.645933328248E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE6.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = -1.699465221449E+00 kJ/mol
  Global net ELEC energy = -1.699465221449E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE6.out
Processor 6 results:
  4.897659240526E+00
  2.552765434658E+00
  1.200266111088E+04
  9.646358551314E+04
  1.199560371894E+04
  9.645933328248E+04
  -1.699465221449E+00
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-parallel-PE7.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-parallel-PE7.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (1.535e+01, -3.100e-02, 2.993e+00)
  Net charge -1.20e+01 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5877 atoms
  Centered at (-1.404e+01, -3.356e+00, 3.049e+01)
  Net charge -1.20e+01 e
Reading PQR-format atom data from complex.pqr.
  11754 atoms
  Centered at (2.518e+00, -2.465e+00, 1.674e+01)
  Net charge -2.40e+01 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 251.247 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.521894873214E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (mol1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  251.247 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 1
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.200161660501E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 487.987 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.033680106430E+02 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (mol2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  252.233 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 2
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.154432431334E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 489.955 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 1.625 x 1.260 x 1.688
  Grid lengths: 156.000 x 121.000 x 162.000
  Grid center: (2.518, -2.465, 16.742)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.960165191413E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.608 A
  Current memory usage:  264.732 MB total, 506.110 MB high water
  Using linear spline charge discretization.
  Partition overlap fraction = 0.1
  Processor array = 2 x 2 x 2
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.696 x 0.565 x 0.720
  Grid lengths: 66.783 x 54.261 x 69.168
  Grid center: (25.127, 15.905, 40.159)
  Multigrid levels: 4
  Molecule ID: 3
  Nonlinear traditional PBE
  Boundary conditions from focusing
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Potential to be written to pot.dx
  Total electrostatic energy = 2.618664307349E+04 kJ/mol
  Calculating forces...
  Writing potential to pot-PE7.dx
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (mol1) - 2 (mol2) end
  Local net energy (PE 0) = 3.059403714563E+01 kJ/mol
  Global net ELEC energy = 3.059403714563E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 506.110 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-parallel-PE7.out
Processor 7 results:
  2.521894873214E+03
  2.200161660501E+04
  4.033680106430E+02
  4.154432431334E+03
  2.960165191413E+03
  2.618664307349E+04
  3.059403714563E+01
RESULT 36605.73843587318
RESULT 288124.794774701
RESULT 36694.74744055409
RESULT 288128.90380424313
RESULT 73413.59604699901
RESULT 576361.14712166
RESULT 115.542067729304
Testing computed result 3.660573843587E+04 against expected result 3.660574E+04
*** PASSED ***
Testing computed result 2.881247947747E+05 against expected result 2.881248E+05
*** PASSED ***
Testing computed result 3.669474744055E+04 against expected result 3.669475E+04
*** PASSED ***
Testing computed result 2.881289038042E+05 against expected result 2.881289E+05
*** PASSED ***
Testing computed result 7.341359604700E+04 against expected result 7.341360E+04
*** PASSED ***
Testing computed result 5.763611471217E+05 against expected result 5.763611E+05
*** PASSED ***
Testing computed result 1.155420677293E+02 against expected result 1.155421E+02
*** PASSED ***
Elapsed time: 571.162938 seconds
--------------------------------------------------------------------------------
Total elapsed time: 1281.016030 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for alkanes section
--------------------------------------------------------------------------------
Testing input file alkanes.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  alkanes.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file alkanes.in...
rank 0 size 1...
Parsed input file.
Reading parameter data from parm.dat.
Got paths for 11 molecules
Reading PDB-format atom data from 2-methylbutane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  17 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 4.33e+00 e
Reading PDB-format atom data from butane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  14 atoms
  Centered at (3.917e+00, 7.025e-01, -8.575e+00)
  Net charge 3.51e+00 e
Reading PDB-format atom data from cyclohexane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  18 atoms
  Centered at (1.123e+00, 5.880e-01, 7.680e-01)
  Net charge 4.93e+00 e
Reading PDB-format atom data from cyclopentane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  13 atoms
  Centered at (1.320e+00, 5.255e-01, 1.289e+00)
  Net charge 3.88e+00 e
Reading PDB-format atom data from ethane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  8 atoms
  Centered at (2.210e-01, -2.100e-02, 7.650e-01)
  Net charge 1.87e+00 e
Reading PDB-format atom data from hexane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  20 atoms
  Centered at (4.951e+00, -9.500e-03, -8.406e+00)
  Net charge 5.16e+00 e
Reading PDB-format atom data from isobutane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  14 atoms
  Centered at (1.859e+01, 1.864e+01, 1.921e+01)
  Net charge 3.51e+00 e
Reading PDB-format atom data from methane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  5 atoms
  Centered at (1.803e+01, 1.779e+01, 1.782e+01)
  Net charge 1.05e+00 e
Reading PDB-format atom data from neopentane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  17 atoms
  Centered at (1.867e+01, 1.894e+01, 1.920e+01)
  Net charge 4.33e+00 e
Reading PDB-format atom data from pentane.pdb.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  17 atoms
  Centered at (4.460e+00, 1.615e-01, -8.566e+00)
  Net charge 4.33e+00 e
Reading PDB-format atom data from propane.pdb.
  11 atoms
  Centered at (1.836e+01, 1.896e+01, 1.861e+01)
  Net charge 2.69e+00 e
Preparing to run 11 PBE calculations.
----------------------------------------
CALCULATION #1 (solvated-2-methylbutane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 3.815624614267E+00
  SASA for atom 1: 0.000000000000E+00
  SASA for atom 2: 6.122920124655E-01
  SASA for atom 3: 3.957497153740E+00
  SASA for atom 4: 4.308445014544E+00
  SASA for atom 5: 1.843264951960E+01
  SASA for atom 6: 1.837011296483E+01
  SASA for atom 7: 1.666599184724E+01
  SASA for atom 8: 1.480031796315E+01
  SASA for atom 9: 1.603020354037E+01
  SASA for atom 10: 1.473778140838E+01
  SASA for atom 11: 1.611879699297E+01
  SASA for atom 12: 1.810954398660E+01
  SASA for atom 13: 1.420100931324E+01
  SASA for atom 14: 1.437298483886E+01
  SASA for atom 15: 1.814081226399E+01
  SASA for atom 16: 2.152820898091E+01
Total solvent accessible surface area: 214.202 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 3.243280922127E-02
  Surface tension*area energy for atom 1: 0.000000000000E+00
  Surface tension*area energy for atom 2: 5.204482105957E-03
  Surface tension*area energy for atom 3: 3.363872580679E-02
  Surface tension*area energy for atom 4: 3.662178262362E-02
  Surface tension*area energy for atom 5: 1.566775209166E-01
  Surface tension*area energy for atom 6: 1.561459602010E-01
  Surface tension*area energy for atom 7: 1.416609307015E-01
  Surface tension*area energy for atom 8: 1.258027026868E-01
  Surface tension*area energy for atom 9: 1.362567300932E-01
  Surface tension*area energy for atom 10: 1.252711419712E-01
  Surface tension*area energy for atom 11: 1.370097744402E-01
  Surface tension*area energy for atom 12: 1.539311238861E-01
  Surface tension*area energy for atom 13: 1.207085791625E-01
  Surface tension*area energy for atom 14: 1.221703711303E-01
  Surface tension*area energy for atom 15: 1.541969042439E-01
  Surface tension*area energy for atom 16: 1.829897763377E-01
Total surface tension energy: 1.82072 kJ/mol
Total solvent accessible volume: 253.665 A^3
Total pressure*volume energy: 60.7274 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -6.271287875274E+00
  WCA energy for atom 1: -5.600872869478E+00
  WCA energy for atom 2: -5.773775123943E+00
  WCA energy for atom 3: -6.072801488986E+00
  WCA energy for atom 4: -6.378470721845E+00
  WCA energy for atom 5: -1.573474558351E+00
  WCA energy for atom 6: -1.582338715648E+00
  WCA energy for atom 7: -1.504044838266E+00
  WCA energy for atom 8: -1.351002262819E+00
  WCA energy for atom 9: -1.437367175239E+00
  WCA energy for atom 10: -1.384626257493E+00
  WCA energy for atom 11: -1.468867560891E+00
  WCA energy for atom 12: -1.557005662832E+00
  WCA energy for atom 13: -1.473759654043E+00
  WCA energy for atom 14: -1.502261431335E+00
  WCA energy for atom 15: -1.550940901474E+00
  WCA energy for atom 16: -1.667828659696E+00
Total WCA energy: -48.1507 kJ/mol
Total non-polar energy = 1.439739455792E+01 kJ/mol
----------------------------------------
CALCULATION #2 (solvated-butane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 4.405515699447E+00
  SASA for atom 1: 8.213673337951E-01
  SASA for atom 2: 8.064333822716E-01
  SASA for atom 3: 4.375647796400E+00
  SASA for atom 4: 1.855251124959E+01
  SASA for atom 5: 2.147609518526E+01
  SASA for atom 6: 1.852645435176E+01
  SASA for atom 7: 1.660345529247E+01
  SASA for atom 8: 1.658782115377E+01
  SASA for atom 9: 1.658260977421E+01
  SASA for atom 10: 1.658260977421E+01
  SASA for atom 11: 2.145003828744E+01
  SASA for atom 12: 1.852124297220E+01
  SASA for atom 13: 1.856293400871E+01
Total solvent accessible surface area: 193.855 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 3.744688344530E-02
  Surface tension*area energy for atom 1: 6.981622337259E-03
  Surface tension*area energy for atom 2: 6.854683749309E-03
  Surface tension*area energy for atom 3: 3.719300626940E-02
  Surface tension*area energy for atom 4: 1.576963456215E-01
  Surface tension*area energy for atom 5: 1.825468090747E-01
  Surface tension*area energy for atom 6: 1.574748619900E-01
  Surface tension*area energy for atom 7: 1.411293699860E-01
  Surface tension*area energy for atom 8: 1.409964798071E-01
  Surface tension*area energy for atom 9: 1.409521830808E-01
  Surface tension*area energy for atom 10: 1.409521830808E-01
  Surface tension*area energy for atom 11: 1.823253254433E-01
  Surface tension*area energy for atom 12: 1.574305652637E-01
  Surface tension*area energy for atom 13: 1.577849390741E-01
Total surface tension energy: 1.64777 kJ/mol
Total solvent accessible volume: 217.863 A^3
Total pressure*volume energy: 52.1564 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -6.728858147814E+00
  WCA energy for atom 1: -6.204037472587E+00
  WCA energy for atom 2: -6.202937735018E+00
  WCA energy for atom 3: -6.728762249931E+00
  WCA energy for atom 4: -1.623549989062E+00
  WCA energy for atom 5: -1.709092300778E+00
  WCA energy for atom 6: -1.625196457114E+00
  WCA energy for atom 7: -1.484289341167E+00
  WCA energy for atom 8: -1.485410538626E+00
  WCA energy for atom 9: -1.485593139015E+00
  WCA energy for atom 10: -1.484878734279E+00
  WCA energy for atom 11: -1.708585062695E+00
  WCA energy for atom 12: -1.625094916482E+00
  WCA energy for atom 13: -1.624416805392E+00
Total WCA energy: -41.7207 kJ/mol
Total non-polar energy = 1.208346456826E+01 kJ/mol
----------------------------------------
CALCULATION #3 (solvated-cyclohexane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 7.840324549863E-01
  SASA for atom 1: 8.064333822716E-01
  SASA for atom 2: 8.288343095569E-01
  SASA for atom 3: 7.840324549863E-01
  SASA for atom 4: 7.989664065098E-01
  SASA for atom 5: 8.363012853187E-01
  SASA for atom 6: 2.001169752764E+01
  SASA for atom 7: 1.616048802948E+01
  SASA for atom 8: 2.001169752764E+01
  SASA for atom 9: 1.619175630687E+01
  SASA for atom 10: 1.616048802948E+01
  SASA for atom 11: 1.993352683418E+01
  SASA for atom 12: 2.001169752764E+01
  SASA for atom 13: 1.618133354774E+01
  SASA for atom 14: 1.617091078861E+01
  SASA for atom 15: 2.001690890721E+01
  SASA for atom 16: 1.993873821374E+01
  SASA for atom 17: 1.617091078861E+01
Total solvent accessible surface area: 221.799 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 6.664275867383E-03
  Surface tension*area energy for atom 1: 6.854683749309E-03
  Surface tension*area energy for atom 2: 7.045091631234E-03
  Surface tension*area energy for atom 3: 6.664275867383E-03
  Surface tension*area energy for atom 4: 6.791214455333E-03
  Surface tension*area energy for atom 5: 7.108560925209E-03
  Surface tension*area energy for atom 6: 1.700994289850E-01
  Surface tension*area energy for atom 7: 1.373641482506E-01
  Surface tension*area energy for atom 8: 1.700994289850E-01
  Surface tension*area energy for atom 9: 1.376299286084E-01
  Surface tension*area energy for atom 10: 1.373641482506E-01
  Surface tension*area energy for atom 11: 1.694349780905E-01
  Surface tension*area energy for atom 12: 1.700994289850E-01
  Surface tension*area energy for atom 13: 1.375413351558E-01
  Surface tension*area energy for atom 14: 1.374527417032E-01
  Surface tension*area energy for atom 15: 1.701437257113E-01
  Surface tension*area energy for atom 16: 1.694792748168E-01
  Surface tension*area energy for atom 17: 1.374527417032E-01
Total surface tension energy: 1.88529 kJ/mol
Total solvent accessible volume: 267.435 A^3
Total pressure*volume energy: 64.0239 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -5.793234697241E+00
  WCA energy for atom 1: -5.784370526583E+00
  WCA energy for atom 2: -5.791799130412E+00
  WCA energy for atom 3: -5.788504399087E+00
  WCA energy for atom 4: -5.797319672490E+00
  WCA energy for atom 5: -5.787358035342E+00
  WCA energy for atom 6: -1.523887929614E+00
  WCA energy for atom 7: -1.413678912317E+00
  WCA energy for atom 8: -1.521751604392E+00
  WCA energy for atom 9: -1.414741802525E+00
  WCA energy for atom 10: -1.413367854344E+00
  WCA energy for atom 11: -1.523407238081E+00
  WCA energy for atom 12: -1.523000623583E+00
  WCA energy for atom 13: -1.413922068538E+00
  WCA energy for atom 14: -1.416316744211E+00
  WCA energy for atom 15: -1.524577474659E+00
  WCA energy for atom 16: -1.523300410052E+00
  WCA energy for atom 17: -1.414522566061E+00
Total WCA energy: -52.3691 kJ/mol
Total non-polar energy = 1.354016672221E+01 kJ/mol
----------------------------------------
CALCULATION #4 (solvated-cyclopentane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 9.490526193215E+00
  SASA for atom 1: 9.512927120500E+00
  SASA for atom 2: 2.299828534626E+00
  SASA for atom 3: 1.919012770776E+00
  SASA for atom 4: 2.307295510388E+00
  SASA for atom 5: 2.325838699632E+01
  SASA for atom 6: 2.325838699632E+01
  SASA for atom 7: 2.045987617019E+01
  SASA for atom 8: 2.067875411190E+01
  SASA for atom 9: 2.028790064456E+01
  SASA for atom 10: 1.897463299431E+01
  SASA for atom 11: 2.048593306801E+01
  SASA for atom 12: 2.070481100972E+01
Total solvent accessible surface area: 193.638 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 8.066947264233E-02
  Surface tension*area energy for atom 1: 8.085988052425E-02
  Surface tension*area energy for atom 2: 1.954854254432E-02
  Surface tension*area energy for atom 3: 1.631160855160E-02
  Surface tension*area energy for atom 4: 1.961201183830E-02
  Surface tension*area energy for atom 5: 1.976962894687E-01
  Surface tension*area energy for atom 6: 1.976962894687E-01
  Surface tension*area energy for atom 7: 1.739089474466E-01
  Surface tension*area energy for atom 8: 1.757694099511E-01
  Surface tension*area energy for atom 9: 1.724471554788E-01
  Surface tension*area energy for atom 10: 1.612843804516E-01
  Surface tension*area energy for atom 11: 1.741304310781E-01
  Surface tension*area energy for atom 12: 1.759908935826E-01
Total surface tension energy: 1.64593 kJ/mol
Total solvent accessible volume: 217.998 A^3
Total pressure*volume energy: 52.1887 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -6.343496616804E+00
  WCA energy for atom 1: -6.327869601807E+00
  WCA energy for atom 2: -6.334858040579E+00
  WCA energy for atom 3: -6.296075406417E+00
  WCA energy for atom 4: -6.345600816761E+00
  WCA energy for atom 5: -1.663697465126E+00
  WCA energy for atom 6: -1.662444032853E+00
  WCA energy for atom 7: -1.572325104493E+00
  WCA energy for atom 8: -1.604626551065E+00
  WCA energy for atom 9: -1.586431484963E+00
  WCA energy for atom 10: -1.554291291374E+00
  WCA energy for atom 11: -1.574315220751E+00
  WCA energy for atom 12: -1.604941679892E+00
Total WCA energy: -44.471 kJ/mol
Total non-polar energy = 9.363673200142E+00 kJ/mol
----------------------------------------
CALCULATION #5 (solvated-ethane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 5.995981536705E+00
  SASA for atom 1: 5.966113633657E+00
  SASA for atom 2: 2.121552620704E+01
  SASA for atom 3: 2.124158310486E+01
  SASA for atom 4: 2.125200586399E+01
  SASA for atom 5: 2.123116034573E+01
  SASA for atom 6: 2.125200586399E+01
  SASA for atom 7: 2.127285138225E+01
Total solvent accessible surface area: 139.427 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 5.096584306199E-02
  Surface tension*area energy for atom 1: 5.071196588609E-02
  Surface tension*area energy for atom 2: 1.803319727598E-01
  Surface tension*area energy for atom 3: 1.805534563913E-01
  Surface tension*area energy for atom 4: 1.806420498439E-01
  Surface tension*area energy for atom 5: 1.804648629387E-01
  Surface tension*area energy for atom 6: 1.806420498439E-01
  Surface tension*area energy for atom 7: 1.808192367491E-01
Total surface tension energy: 1.18513 kJ/mol
Total solvent accessible volume: 140.346 A^3
Total pressure*volume energy: 33.5988 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -7.360066353115E+00
  WCA energy for atom 1: -7.355483516201E+00
  WCA energy for atom 2: -1.776106201066E+00
  WCA energy for atom 3: -1.773973940651E+00
  WCA energy for atom 4: -1.775401936843E+00
  WCA energy for atom 5: -1.773464835521E+00
  WCA energy for atom 6: -1.774382856097E+00
  WCA energy for atom 7: -1.772366599434E+00
Total WCA energy: -25.3612 kJ/mol
Total non-polar energy = 9.422717598546E+00 kJ/mol
----------------------------------------
CALCULATION #6 (solvated-hexane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 4.405515699447E+00
  SASA for atom 1: 8.213673337951E-01
  SASA for atom 2: 3.285469335181E-01
  SASA for atom 3: 2.986790304710E-01
  SASA for atom 4: 1.855251124959E+01
  SASA for atom 5: 2.147609518526E+01
  SASA for atom 6: 1.852645435176E+01
  SASA for atom 7: 1.655655287639E+01
  SASA for atom 8: 1.655134149682E+01
  SASA for atom 9: 1.360170066332E+01
  SASA for atom 10: 1.357043238593E+01
  SASA for atom 11: 1.381536722546E+01
  SASA for atom 12: 1.384142412329E+01
  SASA for atom 13: 7.765654792245E-01
  SASA for atom 14: 1.684839013200E+01
  SASA for atom 15: 1.682233323417E+01
  SASA for atom 16: 4.166572475070E+00
  SASA for atom 17: 2.179398933870E+01
  SASA for atom 18: 1.877660057086E+01
  SASA for atom 19: 1.876096643216E+01
Total solvent accessible surface area: 250.291 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 3.744688344530E-02
  Surface tension*area energy for atom 1: 6.981622337259E-03
  Surface tension*area energy for atom 2: 2.792648934903E-03
  Surface tension*area energy for atom 3: 2.538771759003E-03
  Surface tension*area energy for atom 4: 1.576963456215E-01
  Surface tension*area energy for atom 5: 1.825468090747E-01
  Surface tension*area energy for atom 6: 1.574748619900E-01
  Surface tension*area energy for atom 7: 1.407306994493E-01
  Surface tension*area energy for atom 8: 1.406864027230E-01
  Surface tension*area energy for atom 9: 1.156144556382E-01
  Surface tension*area energy for atom 10: 1.153486752804E-01
  Surface tension*area energy for atom 11: 1.174306214164E-01
  Surface tension*area energy for atom 12: 1.176521050479E-01
  Surface tension*area energy for atom 13: 6.600806573408E-03
  Surface tension*area energy for atom 14: 1.432113161220E-01
  Surface tension*area energy for atom 15: 1.429898324905E-01
  Surface tension*area energy for atom 16: 3.541586603809E-02
  Surface tension*area energy for atom 17: 1.852489093789E-01
  Surface tension*area energy for atom 18: 1.596011048523E-01
  Surface tension*area energy for atom 19: 1.594682146734E-01
Total surface tension energy: 2.12748 kJ/mol
Total solvent accessible volume: 298.053 A^3
Total pressure*volume energy: 71.3539 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -6.635406071935E+00
  WCA energy for atom 1: -5.957247427848E+00
  WCA energy for atom 2: -5.524801144538E+00
  WCA energy for atom 3: -5.522294168859E+00
  WCA energy for atom 4: -1.605314409440E+00
  WCA energy for atom 5: -1.701051761776E+00
  WCA energy for atom 6: -1.606669162773E+00
  WCA energy for atom 7: -1.442505934938E+00
  WCA energy for atom 8: -1.443059002759E+00
  WCA energy for atom 9: -1.328947132810E+00
  WCA energy for atom 10: -1.328906972440E+00
  WCA energy for atom 11: -1.331566344214E+00
  WCA energy for atom 12: -1.328041776815E+00
  WCA energy for atom 13: -5.937562025661E+00
  WCA energy for atom 14: -1.442277774427E+00
  WCA energy for atom 15: -1.442777091510E+00
  WCA energy for atom 16: -6.602262542378E+00
  WCA energy for atom 17: -1.698172146664E+00
  WCA energy for atom 18: -1.600970858835E+00
  WCA energy for atom 19: -1.600841970217E+00
Total WCA energy: -57.0807 kJ/mol
Total non-polar energy = 1.640068943201E+01 kJ/mol
----------------------------------------
CALCULATION #7 (solvated-isobutane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 3.464676753463E+00
  SASA for atom 1: 1.984493338158E+01
  SASA for atom 2: 1.778643845361E+01
  SASA for atom 3: 1.671289426332E+01
  SASA for atom 4: 0.000000000000E+00
  SASA for atom 5: 3.531879535319E+00
  SASA for atom 6: 1.673895116114E+01
  SASA for atom 7: 1.793756846098E+01
  SASA for atom 8: 1.973549441072E+01
  SASA for atom 9: 1.710895911022E+01
  SASA for atom 10: 4.599657069253E+00
  SASA for atom 11: 1.937069784121E+01
  SASA for atom 12: 1.654613011726E+01
  SASA for atom 13: 1.936548646165E+01
Total solvent accessible surface area: 192.744 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 2.944975240444E-02
  Surface tension*area energy for atom 1: 1.686819337434E-01
  Surface tension*area energy for atom 2: 1.511847268556E-01
  Surface tension*area energy for atom 3: 1.420596012382E-01
  Surface tension*area energy for atom 4: 0.000000000000E+00
  Surface tension*area energy for atom 5: 3.002097605021E-02
  Surface tension*area energy for atom 6: 1.422810848697E-01
  Surface tension*area energy for atom 7: 1.524693319183E-01
  Surface tension*area energy for atom 8: 1.677517024912E-01
  Surface tension*area energy for atom 9: 1.454261524369E-01
  Surface tension*area energy for atom 10: 3.909708508865E-02
  Surface tension*area energy for atom 11: 1.646509316503E-01
  Surface tension*area energy for atom 12: 1.406421059967E-01
  Surface tension*area energy for atom 13: 1.646066349240E-01
Total surface tension energy: 1.63832 kJ/mol
Total solvent accessible volume: 218.943 A^3
Total pressure*volume energy: 52.415 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -6.381016335247E+00
  WCA energy for atom 1: -1.612317964554E+00
  WCA energy for atom 2: -1.588013719598E+00
  WCA energy for atom 3: -1.532162371190E+00
  WCA energy for atom 4: -5.987950445279E+00
  WCA energy for atom 5: -6.393089030861E+00
  WCA energy for atom 6: -1.533454887042E+00
  WCA energy for atom 7: -1.587650918485E+00
  WCA energy for atom 8: -1.614083521570E+00
  WCA energy for atom 9: -1.442402031577E+00
  WCA energy for atom 10: -6.408813541353E+00
  WCA energy for atom 11: -1.605830214390E+00
  WCA energy for atom 12: -1.529385873788E+00
  WCA energy for atom 13: -1.605662490385E+00
Total WCA energy: -40.8218 kJ/mol
Total non-polar energy = 1.323144287435E+01 kJ/mol
----------------------------------------
CALCULATION #8 (solvated-methane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 1.231304303117E+01
  SASA for atom 1: 2.323233009850E+01
  SASA for atom 2: 2.345641941977E+01
  SASA for atom 3: 2.377431357320E+01
  SASA for atom 4: 2.264344420771E+01
Total solvent accessible surface area: 105.42 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 1.046608657649E-01
  Surface tension*area energy for atom 1: 1.974748058372E-01
  Surface tension*area energy for atom 2: 1.993795650680E-01
  Surface tension*area energy for atom 3: 2.020816653722E-01
  Surface tension*area energy for atom 4: 1.924692757655E-01
Total surface tension energy: 0.896066 kJ/mol
Total solvent accessible volume: 95.985 A^3
Total pressure*volume energy: 22.9788 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -8.133807570805E+00
  WCA energy for atom 1: -1.962181541765E+00
  WCA energy for atom 2: -1.964078319162E+00
  WCA energy for atom 3: -1.963015006647E+00
  WCA energy for atom 4: -1.957425549100E+00
Total WCA energy: -15.9805 kJ/mol
Total non-polar energy = 7.894367190329E+00 kJ/mol
----------------------------------------
CALCULATION #9 (solvated-neopentane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 2.441701074100E+00
  SASA for atom 1: 1.663993494942E+01
  SASA for atom 2: 1.715586152630E+01
  SASA for atom 3: 1.645753666466E+01
  SASA for atom 4: 0.000000000000E+00
  SASA for atom 5: 2.389432243768E+00
  SASA for atom 6: 1.638457735076E+01
  SASA for atom 7: 1.667641460637E+01
  SASA for atom 8: 1.721839808108E+01
  SASA for atom 9: 2.419300146815E+00
  SASA for atom 10: 1.640021148945E+01
  SASA for atom 11: 1.666599184724E+01
  SASA for atom 12: 1.719234118325E+01
  SASA for atom 13: 2.449168049862E+00
  SASA for atom 14: 1.723403221977E+01
  SASA for atom 15: 1.639500010989E+01
  SASA for atom 16: 1.663472356985E+01
Total solvent accessible surface area: 210.755 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 2.075445912985E-02
  Surface tension*area energy for atom 1: 1.414394470700E-01
  Surface tension*area energy for atom 2: 1.458248229736E-01
  Surface tension*area energy for atom 3: 1.398890616496E-01
  Surface tension*area energy for atom 4: 0.000000000000E+00
  Surface tension*area energy for atom 5: 2.031017407203E-02
  Surface tension*area energy for atom 6: 1.392689074814E-01
  Surface tension*area energy for atom 7: 1.417495241541E-01
  Surface tension*area energy for atom 8: 1.463563836891E-01
  Surface tension*area energy for atom 9: 2.056405124793E-02
  Surface tension*area energy for atom 10: 1.394017976603E-01
  Surface tension*area energy for atom 11: 1.416609307015E-01
  Surface tension*area energy for atom 12: 1.461349000577E-01
  Surface tension*area energy for atom 13: 2.081792842383E-02
  Surface tension*area energy for atom 14: 1.464892738680E-01
  Surface tension*area energy for atom 15: 1.393575009340E-01
  Surface tension*area energy for atom 16: 1.413951503437E-01
Total surface tension energy: 1.79141 kJ/mol
Total solvent accessible volume: 251.127 A^3
Total pressure*volume energy: 60.1198 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -6.011082520236E+00
  WCA energy for atom 1: -1.497367782613E+00
  WCA energy for atom 2: -1.498546483218E+00
  WCA energy for atom 3: -1.492562171495E+00
  WCA energy for atom 4: -5.447325863939E+00
  WCA energy for atom 5: -6.004516149175E+00
  WCA energy for atom 6: -1.492776531092E+00
  WCA energy for atom 7: -1.496078170066E+00
  WCA energy for atom 8: -1.501529655270E+00
  WCA energy for atom 9: -5.996267554365E+00
  WCA energy for atom 10: -1.492194267752E+00
  WCA energy for atom 11: -1.496027211216E+00
  WCA energy for atom 12: -1.500561393960E+00
  WCA energy for atom 13: -6.000218612907E+00
  WCA energy for atom 14: -1.500859921426E+00
  WCA energy for atom 15: -1.492908499790E+00
  WCA energy for atom 16: -1.494057174414E+00
Total WCA energy: -47.4149 kJ/mol
Total non-polar energy = 1.449633815052E+01 kJ/mol
----------------------------------------
CALCULATION #10 (solvated-pentane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 4.405515699447E+00
  SASA for atom 1: 8.213673337951E-01
  SASA for atom 2: 3.285469335181E-01
  SASA for atom 3: 7.466975761774E-01
  SASA for atom 4: 1.855251124959E+01
  SASA for atom 5: 2.147609518526E+01
  SASA for atom 6: 1.852645435176E+01
  SASA for atom 7: 1.655655287639E+01
  SASA for atom 8: 1.655134149682E+01
  SASA for atom 9: 1.360170066332E+01
  SASA for atom 10: 1.357043238593E+01
  SASA for atom 11: 1.685881289113E+01
  SASA for atom 12: 1.687444702982E+01
  SASA for atom 13: 4.196440378117E+00
  SASA for atom 14: 1.881308022781E+01
  SASA for atom 15: 1.882350298694E+01
  SASA for atom 16: 2.182004623652E+01
Total solvent accessible surface area: 222.524 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 3.744688344530E-02
  Surface tension*area energy for atom 1: 6.981622337259E-03
  Surface tension*area energy for atom 2: 2.792648934903E-03
  Surface tension*area energy for atom 3: 6.346929397508E-03
  Surface tension*area energy for atom 4: 1.576963456215E-01
  Surface tension*area energy for atom 5: 1.825468090747E-01
  Surface tension*area energy for atom 6: 1.574748619900E-01
  Surface tension*area energy for atom 7: 1.407306994493E-01
  Surface tension*area energy for atom 8: 1.406864027230E-01
  Surface tension*area energy for atom 9: 1.156144556382E-01
  Surface tension*area energy for atom 10: 1.153486752804E-01
  Surface tension*area energy for atom 11: 1.432999095746E-01
  Surface tension*area energy for atom 12: 1.434327997535E-01
  Surface tension*area energy for atom 13: 3.566974321399E-02
  Surface tension*area energy for atom 14: 1.599111819364E-01
  Surface tension*area energy for atom 15: 1.599997753890E-01
  Surface tension*area energy for atom 16: 1.854703930104E-01
Total surface tension energy: 1.89145 kJ/mol
Total solvent accessible volume: 258.93 A^3
Total pressure*volume energy: 61.9878 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -6.655804319869E+00
  WCA energy for atom 1: -6.027315962813E+00
  WCA energy for atom 2: -5.696430965386E+00
  WCA energy for atom 3: -6.016749084714E+00
  WCA energy for atom 4: -1.608595384643E+00
  WCA energy for atom 5: -1.703300955380E+00
  WCA energy for atom 6: -1.609931495887E+00
  WCA energy for atom 7: -1.457107525189E+00
  WCA energy for atom 8: -1.457741620594E+00
  WCA energy for atom 9: -1.354235498709E+00
  WCA energy for atom 10: -1.354106470090E+00
  WCA energy for atom 11: -1.456736412636E+00
  WCA energy for atom 12: -1.455995435596E+00
  WCA energy for atom 13: -6.633650611186E+00
  WCA energy for atom 14: -1.605996088477E+00
  WCA energy for atom 15: -1.606549890103E+00
  WCA energy for atom 16: -1.700042300035E+00
Total WCA energy: -49.4003 kJ/mol
Total non-polar energy = 1.447900211546E+01 kJ/mol
----------------------------------------
CALCULATION #11 (solvated-propane): APOLAR
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 3.173464698754E+00
  SASA for atom 1: 1.931858404557E+01
  SASA for atom 2: 2.014198201675E+01
  SASA for atom 3: 2.149694070352E+01
  SASA for atom 4: 1.904078819252E+00
  SASA for atom 5: 2.067354273233E+01
  SASA for atom 6: 1.937590922077E+01
  SASA for atom 7: 3.098794941136E+00
  SASA for atom 8: 1.942802301642E+01
  SASA for atom 9: 1.973028303116E+01
  SASA for atom 10: 2.204934693736E+01
Total solvent accessible surface area: 170.391 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 2.697444993941E-02
  Surface tension*area energy for atom 1: 1.642079643873E-01
  Surface tension*area energy for atom 2: 1.712068471424E-01
  Surface tension*area energy for atom 3: 1.827239959799E-01
  Surface tension*area energy for atom 4: 1.618466996365E-02
  Surface tension*area energy for atom 5: 1.757251132248E-01
  Surface tension*area energy for atom 6: 1.646952283766E-01
  Surface tension*area energy for atom 7: 2.633975699966E-02
  Surface tension*area energy for atom 8: 1.651381956396E-01
  Surface tension*area energy for atom 9: 1.677074057649E-01
  Surface tension*area energy for atom 10: 1.874194489675E-01
Total surface tension energy: 1.44832 kJ/mol
Total solvent accessible volume: 183.573 A^3
Total pressure*volume energy: 43.9474 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -6.818670105515E+00
  WCA energy for atom 1: -1.641297645338E+00
  WCA energy for atom 2: -1.649584120441E+00
  WCA energy for atom 3: -1.711408141255E+00
  WCA energy for atom 4: -6.624720142882E+00
  WCA energy for atom 5: -1.610117050515E+00
  WCA energy for atom 6: -1.596858009746E+00
  WCA energy for atom 7: -6.816460624835E+00
  WCA energy for atom 8: -1.642782751806E+00
  WCA energy for atom 9: -1.645779566650E+00
  WCA energy for atom 10: -1.714436154542E+00
Total WCA energy: -33.4721 kJ/mol
Total non-polar energy = 1.192358496286E+01 kJ/mol
----------------------------------------
PRINT STATEMENTS
print APOL energy 1 (solvated-2-methylbutane) end
  Global net APOL energy = 1.439739455792E+01 kJ/mol
print APOL energy 2 (solvated-butane) end
  Global net APOL energy = 1.208346456826E+01 kJ/mol
print APOL energy 3 (solvated-cyclohexane) end
  Global net APOL energy = 1.354016672221E+01 kJ/mol
print APOL energy 4 (solvated-cyclopentane) end
  Global net APOL energy = 9.363673200142E+00 kJ/mol
print APOL energy 5 (solvated-ethane) end
  Global net APOL energy = 9.422717598546E+00 kJ/mol
print APOL energy 6 (solvated-hexane) end
  Global net APOL energy = 1.640068943201E+01 kJ/mol
print APOL energy 7 (solvated-isobutane) end
  Global net APOL energy = 1.323144287435E+01 kJ/mol
print APOL energy 8 (solvated-methane) end
  Global net APOL energy = 7.894367190329E+00 kJ/mol
print APOL energy 9 (solvated-neopentane) end
  Global net APOL energy = 1.449633815052E+01 kJ/mol
print APOL energy 10 (solvated-pentane) end
  Global net APOL energy = 1.447900211546E+01 kJ/mol
print APOL energy 11 (solvated-propane) end
  Global net APOL energy = 1.192358496286E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 11 molecules
Final memory usage:  0.001 MB total, 2.204 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file alkanes.out
RESULT 14.39739455792
RESULT 12.08346456826
RESULT 13.54016672221
RESULT 9.363673200142
RESULT 9.422717598546
RESULT 16.40068943201
RESULT 13.23144287435
RESULT 7.894367190329
RESULT 14.49633815052
RESULT 14.47900211546
RESULT 11.92358496286
Testing computed result 1.439739455792E+01 against expected result 1.439739E+01
*** PASSED ***
Testing computed result 1.208346456826E+01 against expected result 1.208346E+01
*** PASSED ***
Testing computed result 1.354016672221E+01 against expected result 1.354017E+01
*** PASSED ***
Testing computed result 9.363673200142E+00 against expected result 9.363673E+00
*** PASSED ***
Testing computed result 9.422717598546E+00 against expected result 9.422718E+00
*** PASSED ***
Testing computed result 1.640068943201E+01 against expected result 1.640069E+01
*** PASSED ***
Testing computed result 1.323144287435E+01 against expected result 1.323144E+01
*** PASSED ***
Testing computed result 7.894367190329E+00 against expected result 7.894367E+00
*** PASSED ***
Testing computed result 1.449633815052E+01 against expected result 1.449634E+01
*** PASSED ***
Testing computed result 1.447900211546E+01 against expected result 1.447900E+01
*** PASSED ***
Testing computed result 1.192358496286E+01 against expected result 1.192358E+01
*** PASSED ***
Elapsed time: 46.118395 seconds
--------------------------------------------------------------------------------
Total elapsed time: 46.118395 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for FKBP section
--------------------------------------------------------------------------------
Testing input file 1d7h-dmso-mol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  1d7h-dmso-mol.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file 1d7h-dmso-mol.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from 1d7h-dmso-complex.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1673 atoms
  Centered at (2.587e+01, 1.835e+01, 1.911e+01)
  Net charge 9.91e-01 e
Reading PQR-format atom data from dmso-min.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  10 atoms
  Centered at (1.775e+01, 1.777e+01, 2.049e+01)
  Net charge 2.78e-17 e
Reading PQR-format atom data from 1d7h-min.pqr.
  1663 atoms
  Centered at (2.587e+01, 1.835e+01, 1.911e+01)
  Net charge 9.91e-01 e
Preparing to run 12 PBE calculations.
----------------------------------------
CALCULATION #1 (complex-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.625 MB total, 102.625 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.875, 18.349, 19.112)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.060899690259E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (complex-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.625 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.276523673491E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.625 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.875, 18.349, 19.112)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.399234956777E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (complex-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.625 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.610066575192E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (dmso-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  62.396 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.961107503213E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #6 (dmso-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  62.396 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 7.121048606059E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #7 (dmso-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  62.396 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 6.751571424823E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #8 (dmso-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  62.396 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 7.339101343121E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #9 (1d7h-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.404 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.875, 18.349, 19.112)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.058410584089E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #10 (1d7h-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.404 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.205385249581E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #11 (1d7h-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.404 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.875, 18.349, 19.112)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.395961902233E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #12 (1d7h-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.404 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.538248433997E+04 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) end
  Local net energy (PE 0) = -3.335429017008E+03 kJ/mol
  Global net ELEC energy = -3.335429017008E+03 kJ/mol
print energy 6 (dmso-solv-fine) - 8 (dmso-ref-fine) end
  Local net energy (PE 0) = -2.180527370616E+01 kJ/mol
  Global net ELEC energy = -2.180527370616E+01 kJ/mol
print energy 10 (1d7h-solv-fine) - 12 (1d7h-ref-fine) end
  Local net energy (PE 0) = -3.328631844166E+03 kJ/mol
  Global net ELEC energy = -3.328631844166E+03 kJ/mol
print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) - 6 (dmso-solv-fine) + 8 (dmso-ref-fine) - 10 (1d7h-solv-fine) + 12 (1d7h-ref-fine) end
  Local net energy (PE 0) = 1.500810086371E+01 kJ/mol
  Global net ELEC energy = 1.500810086371E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 182.834 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file 1d7h-dmso-mol.out
RESULT 10608.99690259
RESULT 42765.23673491
RESULT 13992.34956777
RESULT 46100.66575192
RESULT 39.61107503213
RESULT 712.1048606059
RESULT 67.51571424823
RESULT 733.9101343121
RESULT 10584.10584089
RESULT 42053.85249581
RESULT 13959.61902233
RESULT 45382.48433997
RESULT -3335.429017008
RESULT -21.80527370616
RESULT -3328.631844166
RESULT 15.00810086371
Testing computed result 1.060899690259E+04 against expected result 1.060900E+04
*** PASSED ***
Testing computed result 4.276523673491E+04 against expected result 4.276524E+04
*** PASSED ***
Testing computed result 1.399234956777E+04 against expected result 1.399235E+04
*** PASSED ***
Testing computed result 4.610066575192E+04 against expected result 4.610067E+04
*** PASSED ***
Testing computed result 3.961107503213E+01 against expected result 3.961108E+01
*** PASSED ***
Testing computed result 7.121048606059E+02 against expected result 7.121049E+02
*** PASSED ***
Testing computed result 6.751571424823E+01 against expected result 6.751571E+01
*** PASSED ***
Testing computed result 7.339101343121E+02 against expected result 7.339101E+02
*** PASSED ***
Testing computed result 1.058410584089E+04 against expected result 1.058411E+04
*** PASSED ***
Testing computed result 4.205385249581E+04 against expected result 4.205385E+04
*** PASSED ***
Testing computed result 1.395961902233E+04 against expected result 1.395962E+04
*** PASSED ***
Testing computed result 4.538248433997E+04 against expected result 4.538248E+04
*** PASSED ***
Testing computed result 1.500810086371E+01 against expected result 1.500810E+01
*** PASSED ***
Elapsed time: 26.765544 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file 1d7h-dmso-smol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  1d7h-dmso-smol.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file 1d7h-dmso-smol.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from 1d7h-dmso-complex.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1673 atoms
  Centered at (2.587e+01, 1.835e+01, 1.911e+01)
  Net charge 9.91e-01 e
Reading PQR-format atom data from dmso-min.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  10 atoms
  Centered at (1.775e+01, 1.777e+01, 2.049e+01)
  Net charge 2.78e-17 e
Reading PQR-format atom data from 1d7h-min.pqr.
  1663 atoms
  Centered at (2.587e+01, 1.835e+01, 1.911e+01)
  Net charge 9.91e-01 e
Preparing to run 12 PBE calculations.
----------------------------------------
CALCULATION #1 (complex-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.625 MB total, 102.625 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.875, 18.349, 19.112)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.074948704824E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (complex-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.625 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.289487256481E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.625 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.875, 18.349, 19.112)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.399234956777E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (complex-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.625 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.610066575192E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (dmso-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  62.396 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.719709905887E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #6 (dmso-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  62.396 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 7.125747080979E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #7 (dmso-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  62.396 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 6.751571424823E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #8 (dmso-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  62.396 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 7.339101343121E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #9 (1d7h-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.404 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.875, 18.349, 19.112)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.071654753674E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #10 (1d7h-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.404 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.218178203716E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #11 (1d7h-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.404 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.875, 18.349, 19.112)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.395961902233E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #12 (1d7h-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.404 MB total, 182.834 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.751, 17.770, 20.492)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.538248433997E+04 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) end
  Local net energy (PE 0) = -3.205793187109E+03 kJ/mol
  Global net ELEC energy = -3.205793187109E+03 kJ/mol
print energy 6 (dmso-solv-fine) - 8 (dmso-ref-fine) end
  Local net energy (PE 0) = -2.133542621421E+01 kJ/mol
  Global net ELEC energy = -2.133542621421E+01 kJ/mol
print energy 10 (1d7h-solv-fine) - 12 (1d7h-ref-fine) end
  Local net energy (PE 0) = -3.200702302816E+03 kJ/mol
  Global net ELEC energy = -3.200702302816E+03 kJ/mol
print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) - 6 (dmso-solv-fine) + 8 (dmso-ref-fine) - 10 (1d7h-solv-fine) + 12 (1d7h-ref-fine) end
  Local net energy (PE 0) = 1.624454192073E+01 kJ/mol
  Global net ELEC energy = 1.624454192073E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 182.834 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file 1d7h-dmso-smol.out
RESULT 10749.48704824
RESULT 42894.87256481
RESULT 13992.34956777
RESULT 46100.66575192
RESULT 37.19709905887
RESULT 712.5747080979
RESULT 67.51571424823
RESULT 733.9101343121
RESULT 10716.54753674
RESULT 42181.78203716
RESULT 13959.61902233
RESULT 45382.48433997
RESULT -3205.793187109
RESULT -21.33542621421
RESULT -3200.702302816
RESULT 16.24454192073
Testing computed result 1.074948704824E+04 against expected result 1.074949E+04
*** PASSED ***
Testing computed result 4.289487256481E+04 against expected result 4.289487E+04
*** PASSED ***
Testing computed result 1.399234956777E+04 against expected result 1.399235E+04
*** PASSED ***
Testing computed result 4.610066575192E+04 against expected result 4.610067E+04
*** PASSED ***
Testing computed result 3.719709905887E+01 against expected result 3.719710E+01
*** PASSED ***
Testing computed result 7.125747080979E+02 against expected result 7.125747E+02
*** PASSED ***
Testing computed result 6.751571424823E+01 against expected result 6.751571E+01
*** PASSED ***
Testing computed result 7.339101343121E+02 against expected result 7.339101E+02
*** PASSED ***
Testing computed result 1.071654753674E+04 against expected result 1.071655E+04
*** PASSED ***
Testing computed result 4.218178203716E+04 against expected result 4.218178E+04
*** PASSED ***
Testing computed result 1.395961902233E+04 against expected result 1.395962E+04
*** PASSED ***
Testing computed result 4.538248433997E+04 against expected result 4.538248E+04
*** PASSED ***
Testing computed result 1.624454192073E+01 against expected result 1.624454E+01
*** PASSED ***
Elapsed time: 25.078384 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file 1d7i-dss-mol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  1d7i-dss-mol.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file 1d7i-dss-mol.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from 1d7i-dss-complex.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1677 atoms
  Centered at (2.526e+01, 1.899e+01, 1.912e+01)
  Net charge 9.91e-01 e
Reading PQR-format atom data from dss-min.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  14 atoms
  Centered at (1.734e+01, 1.921e+01, 2.050e+01)
  Net charge -8.33e-17 e
Reading PQR-format atom data from 1d7i-min.pqr.
  1663 atoms
  Centered at (2.526e+01, 1.899e+01, 1.912e+01)
  Net charge 9.91e-01 e
Preparing to run 12 PBE calculations.
----------------------------------------
CALCULATION #1 (complex-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.869 MB total, 102.869 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.264, 18.988, 19.122)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.160578033846E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (complex-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.869 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.955701871716E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.869 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.264, 18.988, 19.122)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.264965939588E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (complex-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.869 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.301801664829E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (dss-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  62.482 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.431133325426E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #6 (dss-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  62.482 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.677348113184E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #7 (dss-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  62.482 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.171079106781E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #8 (dss-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  62.482 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.697869784185E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #9 (1d7i-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.566 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.264, 18.988, 19.122)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.040108332204E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #10 (1d7i-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.566 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.787747796627E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #11 (1d7i-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.566 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.264, 18.988, 19.122)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.252495566243E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #12 (1d7i-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.566 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.133237922574E+04 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) end
  Local net energy (PE 0) = -3.460997931137E+03 kJ/mol
  Global net ELEC energy = -3.460997931137E+03 kJ/mol
print energy 6 (dss-solv-fine) - 8 (dss-ref-fine) end
  Local net energy (PE 0) = -2.052167100108E+01 kJ/mol
  Global net ELEC energy = -2.052167100108E+01 kJ/mol
print energy 10 (1d7i-solv-fine) - 12 (1d7i-ref-fine) end
  Local net energy (PE 0) = -3.454901259473E+03 kJ/mol
  Global net ELEC energy = -3.454901259473E+03 kJ/mol
print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) - 6 (dss-solv-fine) + 8 (dss-ref-fine) - 10 (1d7i-solv-fine) + 12 (1d7i-ref-fine) end
  Local net energy (PE 0) = 1.442499933668E+01 kJ/mol
  Global net ELEC energy = 1.442499933668E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 183.200 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file 1d7i-dss-mol.out
RESULT 9160.578033846
RESULT 39557.01871716
RESULT 12649.65939588
RESULT 43018.01664829
RESULT 94.31133325426
RESULT 1677.348113184
RESULT 117.1079106781
RESULT 1697.869784185
RESULT 9040.108332204
RESULT 37877.47796627
RESULT 12524.95566243
RESULT 41332.37922574
RESULT -3460.997931137
RESULT -20.52167100108
RESULT -3454.901259473
RESULT 14.42499933668
Testing computed result 9.160578033846E+03 against expected result 9.160578E+03
*** PASSED ***
Testing computed result 3.955701871716E+04 against expected result 3.955702E+04
*** PASSED ***
Testing computed result 1.264965939588E+04 against expected result 1.264966E+04
*** PASSED ***
Testing computed result 4.301801664829E+04 against expected result 4.301802E+04
*** PASSED ***
Testing computed result 9.431133325426E+01 against expected result 9.431133E+01
*** PASSED ***
Testing computed result 1.677348113184E+03 against expected result 1.677348E+03
*** PASSED ***
Testing computed result 1.171079106781E+02 against expected result 1.171079E+02
*** PASSED ***
Testing computed result 1.697869784185E+03 against expected result 1.697870E+03
*** PASSED ***
Testing computed result 9.040108332204E+03 against expected result 9.040108E+03
*** PASSED ***
Testing computed result 3.787747796627E+04 against expected result 3.787748E+04
*** PASSED ***
Testing computed result 1.252495566243E+04 against expected result 1.252496E+04
*** PASSED ***
Testing computed result 4.133237922574E+04 against expected result 4.133238E+04
*** PASSED ***
Testing computed result 1.442499933668E+01 against expected result 1.442501E+01
*** PASSED ***
Elapsed time: 26.251846 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file 1d7i-dss-smol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  1d7i-dss-smol.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file 1d7i-dss-smol.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from 1d7i-dss-complex.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1677 atoms
  Centered at (2.526e+01, 1.899e+01, 1.912e+01)
  Net charge 9.91e-01 e
Reading PQR-format atom data from dss-min.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  14 atoms
  Centered at (1.734e+01, 1.921e+01, 2.050e+01)
  Net charge -8.33e-17 e
Reading PQR-format atom data from 1d7i-min.pqr.
  1663 atoms
  Centered at (2.526e+01, 1.899e+01, 1.912e+01)
  Net charge 9.91e-01 e
Preparing to run 12 PBE calculations.
----------------------------------------
CALCULATION #1 (complex-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.869 MB total, 102.869 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.264, 18.988, 19.122)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.634884642408E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #2 (complex-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.869 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.003177540425E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.869 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.264, 18.988, 19.122)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.264965939588E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (complex-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.869 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.301801664829E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (dss-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  62.482 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 7.942232645345E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #6 (dss-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  62.482 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.677798535473E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #7 (dss-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  62.482 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.171079106781E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #8 (dss-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  62.482 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.697869784185E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #9 (1d7i-solv-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.566 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.264, 18.988, 19.122)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.507068451372E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #10 (1d7i-solv-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  30.4176 A
  Current memory usage:  102.566 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.835075772299E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #11 (1d7i-ref-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.566 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (25.264, 18.988, 19.122)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.252495566243E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #12 (1d7i-ref-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  4.87072 A
  Current memory usage:  102.566 MB total, 183.200 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (17.340, 19.211, 20.503)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.010 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.010 M concentration
    2.000 A-radius, -1.000 e-charge, 0.010 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.133237922574E+04 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) end
  Local net energy (PE 0) = -2.986241244040E+03 kJ/mol
  Global net ELEC energy = -2.986241244040E+03 kJ/mol
print energy 6 (dss-solv-fine) - 8 (dss-ref-fine) end
  Local net energy (PE 0) = -2.007124871262E+01 kJ/mol
  Global net ELEC energy = -2.007124871262E+01 kJ/mol
print energy 10 (1d7i-solv-fine) - 12 (1d7i-ref-fine) end
  Local net energy (PE 0) = -2.981621502756E+03 kJ/mol
  Global net ELEC energy = -2.981621502756E+03 kJ/mol
print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) - 6 (dss-solv-fine) + 8 (dss-ref-fine) - 10 (1d7i-solv-fine) + 12 (1d7i-ref-fine) end
  Local net energy (PE 0) = 1.545150742844E+01 kJ/mol
  Global net ELEC energy = 1.545150742844E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 183.200 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file 1d7i-dss-smol.out
RESULT 9634.884642408
RESULT 40031.77540425
RESULT 12649.65939588
RESULT 43018.01664829
RESULT 79.42232645345
RESULT 1677.798535473
RESULT 117.1079106781
RESULT 1697.869784185
RESULT 9507.068451372
RESULT 38350.75772299
RESULT 12524.95566243
RESULT 41332.37922574
RESULT -2986.24124404
RESULT -20.07124871262
RESULT -2981.621502756
RESULT 15.45150742844
Testing computed result 9.634884642408E+03 against expected result 9.634885E+03
*** PASSED ***
Testing computed result 4.003177540425E+04 against expected result 4.003178E+04
*** PASSED ***
Testing computed result 1.264965939588E+04 against expected result 1.264966E+04
*** PASSED ***
Testing computed result 4.301801664829E+04 against expected result 4.301802E+04
*** PASSED ***
Testing computed result 7.942232645345E+01 against expected result 7.942233E+01
*** PASSED ***
Testing computed result 1.677798535473E+03 against expected result 1.677799E+03
*** PASSED ***
Testing computed result 1.171079106781E+02 against expected result 1.171079E+02
*** PASSED ***
Testing computed result 1.697869784185E+03 against expected result 1.697870E+03
*** PASSED ***
Testing computed result 9.507068451372E+03 against expected result 9.507068E+03
*** PASSED ***
Testing computed result 3.835075772299E+04 against expected result 3.835076E+04
*** PASSED ***
Testing computed result 1.252495566243E+04 against expected result 1.252496E+04
*** PASSED ***
Testing computed result 4.133237922574E+04 against expected result 4.133238E+04
*** PASSED ***
Testing computed result 1.545150742844E+01 against expected result 1.545150E+01
*** PASSED ***
Elapsed time: 25.411062 seconds
--------------------------------------------------------------------------------
Total elapsed time: 103.506836 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for hca-bind section
--------------------------------------------------------------------------------
Testing input file apbs-mol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from acet.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  18 atoms
  Centered at (-6.028e+00, 3.898e+00, 1.518e+01)
  Net charge -1.00e+00 e
Reading PQR-format atom data from hca.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  2482 atoms
  Centered at (-7.196e+00, 4.070e-01, 1.704e+01)
  Net charge 1.00e+00 e
Reading PQR-format atom data from complex.pqr.
  2500 atoms
  Centered at (-7.196e+00, 4.070e-01, 1.704e+01)
  Net charge -1.02e-14 e
Preparing to run 9 PBE calculations.
----------------------------------------
CALCULATION #1 (acet): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  62.632 MB total, 62.632 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.213600726771E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (acet): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  62.632 MB total, 123.513 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.581 x 0.581 x 0.581
  Grid lengths: 37.181 x 37.181 x 37.181
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.825764811255E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (acet): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  62.632 MB total, 123.513 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 6.458471211905E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (hca): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.616 MB total, 127.616 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.093606095527E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #5 (hca): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.616 MB total, 207.303 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.581 x 0.581 x 0.581
  Grid lengths: 37.181 x 37.181 x 37.181
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.515433544464E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (hca): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.616 MB total, 207.303 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.786369323561E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #7 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.915 MB total, 207.303 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.105322784838E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #8 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.915 MB total, 207.713 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.581 x 0.581 x 0.581
  Grid lengths: 37.181 x 37.181 x 37.181
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.533304996252E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #9 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.915 MB total, 207.713 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.850429388099E+05 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (acet) - 2 (hca) end
  Local net energy (PE 0) = -5.246475812665E+01 kJ/mol
  Global net ELEC energy = -5.246475812665E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 207.713 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol.out
RESULT 221.3600726771
RESULT 1825.764811255
RESULT 6458.471211905
RESULT 20936.06095527
RESULT 151543.3544464
RESULT 178636.9323561
RESULT 21053.22784838
RESULT 153330.4996252
RESULT 185042.9388099
RESULT -52.46475812665
Testing computed result 2.213600726771E+02 against expected result 2.213601E+02
*** PASSED ***
Testing computed result 1.825764811255E+03 against expected result 1.825765E+03
*** PASSED ***
Testing computed result 6.458471211905E+03 against expected result 6.458471E+03
*** PASSED ***
Testing computed result 2.093606095527E+04 against expected result 2.093606E+04
*** PASSED ***
Testing computed result 1.515433544464E+05 against expected result 1.515434E+05
*** PASSED ***
Testing computed result 1.786369323561E+05 against expected result 1.786369E+05
*** PASSED ***
Testing computed result 2.105322784838E+04 against expected result 2.105323E+04
*** PASSED ***
Testing computed result 1.533304996252E+05 against expected result 1.533305E+05
*** PASSED ***
Testing computed result 1.850429388099E+05 against expected result 1.850429E+05
*** PASSED ***
Testing computed result -5.246475812665E+01 against expected result -5.246476E+01
*** PASSED ***
Elapsed time: 24.998524 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from acet.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  18 atoms
  Centered at (-6.028e+00, 3.898e+00, 1.518e+01)
  Net charge -1.00e+00 e
Reading PQR-format atom data from hca.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  2482 atoms
  Centered at (-7.196e+00, 4.070e-01, 1.704e+01)
  Net charge 1.00e+00 e
Reading PQR-format atom data from complex.pqr.
  2500 atoms
  Centered at (-7.196e+00, 4.070e-01, 1.704e+01)
  Net charge -1.02e-14 e
Preparing to run 9 PBE calculations.
----------------------------------------
CALCULATION #1 (acet): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  62.632 MB total, 62.632 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.884888131017E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (acet): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  62.632 MB total, 123.513 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.581 x 0.581 x 0.581
  Grid lengths: 37.181 x 37.181 x 37.181
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.820045922544E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (acet): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  62.632 MB total, 123.513 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 6.460002606908E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (hca): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.616 MB total, 127.616 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.189161497021E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #5 (hca): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.616 MB total, 207.303 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.581 x 0.581 x 0.581
  Grid lengths: 37.181 x 37.181 x 37.181
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.520000494925E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (hca): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.616 MB total, 207.303 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.790436191580E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #7 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.915 MB total, 207.303 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.195842512312E+04 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #8 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.915 MB total, 207.713 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.581 x 0.581 x 0.581
  Grid lengths: 37.181 x 37.181 x 37.181
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.537771604355E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #9 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  127.915 MB total, 207.713 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.225 x 0.225 x 0.225
  Grid lengths: 14.400 x 14.400 x 14.400
  Grid center: (-6.028, 3.898, 15.179)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.854495619747E+05 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (acet) - 2 (hca) end
  Local net energy (PE 0) = -5.405979017066E+01 kJ/mol
  Global net ELEC energy = -5.405979017066E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 207.713 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol.out
RESULT 188.4888131017
RESULT 1820.045922544
RESULT 6460.002606908
RESULT 21891.61497021
RESULT 152000.0494925
RESULT 179043.619158
RESULT 21958.42512312
RESULT 153777.1604355
RESULT 185449.5619747
RESULT -54.05979017066
Testing computed result 1.884888131017E+02 against expected result 1.884888E+02
*** PASSED ***
Testing computed result 1.820045922544E+03 against expected result 1.820046E+03
*** PASSED ***
Testing computed result 6.460002606908E+03 against expected result 6.460003E+03
*** PASSED ***
Testing computed result 2.189161497021E+04 against expected result 2.189161E+04
*** PASSED ***
Testing computed result 1.520000494925E+05 against expected result 1.520000E+05
*** PASSED ***
Testing computed result 1.790436191580E+05 against expected result 1.790436E+05
*** PASSED ***
Testing computed result 2.195842512312E+04 against expected result 2.195843E+04
*** PASSED ***
Testing computed result 1.537771604355E+05 against expected result 1.537772E+05
*** PASSED ***
Testing computed result 1.854495619747E+05 against expected result 1.854496E+05
*** PASSED ***
Testing computed result -5.405979017066E+01 against expected result -5.405978E+01
*** PASSED ***
Elapsed time: 23.139175 seconds
--------------------------------------------------------------------------------
Total elapsed time: 48.137699 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for ionize section
--------------------------------------------------------------------------------
Testing input file apbs-mol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading XML-format atom data from acetic-acid.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  8 atoms
  Centered at (0.000e+00, -1.535e-01, 1.287e+00)
  Net charge -1.67e-16 e
Reading XML-format atom data from acetate.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  8 atoms
  Centered at (0.000e+00, -1.535e-01, 1.287e+00)
  Net charge -1.00e+00 e
Reading XML-format atom data from proton.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (1.780e-01, -1.286e+00, 2.937e+00)
  Net charge 1.00e+00 e
Preparing to run 12 PBE calculations.
----------------------------------------
CALCULATION #1 (acetic-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.581 MB total, 61.581 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 5.823898055191E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (acetic-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.581 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.793274462353E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (acetic-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.405 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 5.846917564309E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (acetic-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.405 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.815953282539E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (acetate-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.581 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.219846763777E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #6 (acetate-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.581 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.392741988698E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #7 (acetate-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.405 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.420373979905E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #8 (acetate-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.405 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.412716615065E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #9 (proton-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.410 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.862359524598E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #10 (proton-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.410 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 6.288156251610E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #11 (proton-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.371 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.162533113906E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #12 (proton-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.371 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 6.585616091973E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (acetic-solv) - 2 (acetic-ref) end
  Local net energy (PE 0) = -2.267882018629E+01 kJ/mol
  Global net ELEC energy = -2.267882018629E+01 kJ/mol
print energy 3 (acetate-solv) - 4 (acetate-ref) end
  Local net energy (PE 0) = -1.997462636633E+02 kJ/mol
  Global net ELEC energy = -1.997462636633E+02 kJ/mol
print energy 5 (proton-solv) - 6 (proton-ref) end
  Local net energy (PE 0) = -2.974598403628E+02 kJ/mol
  Global net ELEC energy = -2.974598403628E+02 kJ/mol
print energy 3 (acetate-solv) - 4 (acetate-ref) + 5 (proton-solv) - 6 (proton-ref) - 1 (acetic-solv) + 2 (acetic-ref) end
  Local net energy (PE 0) = -4.745272838398E+02 kJ/mol
  Global net ELEC energy = -4.745272838398E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 122.371 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol.out
RESULT 5823.898055191
RESULT 9793.274462353
RESULT 5846.917564309
RESULT 9815.953282539
RESULT 8219.846763777
RESULT 13927.41988698
RESULT 8420.373979905
RESULT 14127.16615065
RESULT 3862.359524598
RESULT 6288.15625161
RESULT 4162.533113906
RESULT 6585.616091973
RESULT -22.67882018629
RESULT -199.7462636633
RESULT -297.4598403628
RESULT -474.5272838398
Testing computed result 5.823898055191E+03 against expected result 5.823898E+03
*** PASSED ***
Testing computed result 9.793274462353E+03 against expected result 9.793274E+03
*** PASSED ***
Testing computed result 5.846917564309E+03 against expected result 5.846918E+03
*** PASSED ***
Testing computed result 9.815953282539E+03 against expected result 9.815953E+03
*** PASSED ***
Testing computed result 8.219846763777E+03 against expected result 8.219847E+03
*** PASSED ***
Testing computed result 1.392741988698E+04 against expected result 1.392742E+04
*** PASSED ***
Testing computed result 8.420373979905E+03 against expected result 8.420374E+03
*** PASSED ***
Testing computed result 1.412716615065E+04 against expected result 1.412717E+04
*** PASSED ***
Testing computed result 3.862359524598E+03 against expected result 3.862360E+03
*** PASSED ***
Testing computed result 6.288156251610E+03 against expected result 6.288156E+03
*** PASSED ***
Testing computed result 4.162533113906E+03 against expected result 4.162533E+03
*** PASSED ***
Testing computed result 6.585616091973E+03 against expected result 6.585616E+03
*** PASSED ***
Testing computed result -2.267882018629E+01 against expected result -2.267882E+01
*** PASSED ***
Testing computed result -1.997462636633E+02 against expected result -1.997463E+02
*** PASSED ***
Testing computed result -2.974598403628E+02 against expected result -2.974598E+02
*** PASSED ***
Testing computed result -4.745272838398E+02 against expected result -4.745273E+02
*** PASSED ***
Elapsed time: 8.348301 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol.in
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading XML-format atom data from acetic-acid.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  8 atoms
  Centered at (0.000e+00, -1.535e-01, 1.287e+00)
  Net charge -1.67e-16 e
Reading XML-format atom data from acetate.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  8 atoms
  Centered at (0.000e+00, -1.535e-01, 1.287e+00)
  Net charge -1.00e+00 e
Reading XML-format atom data from proton.xml.
Valist_readXML: Warning Warning Warning Warning Warning
Valist_readXML: The use of XML input files with parameter
Valist_readXML: files is currently not supported.
Valist_readXML: Warning Warning Warning Warning Warning
  1 atoms
  Centered at (1.780e-01, -1.286e+00, 2.937e+00)
  Net charge 1.00e+00 e
Preparing to run 12 PBE calculations.
----------------------------------------
CALCULATION #1 (acetic-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.581 MB total, 61.581 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 5.824172730822E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (acetic-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.581 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.793622759239E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (acetic-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.405 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 5.846917564309E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (acetic-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.405 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.815953282539E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (acetate-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.581 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.221328580569E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #6 (acetate-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.581 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.392867783119E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #7 (acetate-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.405 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.420373979905E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #8 (acetate-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.405 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.412716615065E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #9 (proton-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.410 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.863066835285E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #10 (proton-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  7.76163 A
  Current memory usage:  61.410 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 6.289649216644E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #11 (proton-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.371 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.188 x 0.188 x 0.188
  Grid lengths: 12.000 x 12.000 x 12.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 4.162533113906E+03 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #12 (proton-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.371 MB total, 122.371 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.094 x 0.094 x 0.094
  Grid lengths: 6.000 x 6.000 x 6.000
  Grid center: (0.000, -0.154, 1.287)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 2.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  293.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 6.585616091973E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (acetic-solv) - 2 (acetic-ref) end
  Local net energy (PE 0) = -2.233052329981E+01 kJ/mol
  Global net ELEC energy = -2.233052329981E+01 kJ/mol
print energy 3 (acetate-solv) - 4 (acetate-ref) end
  Local net energy (PE 0) = -1.984883194538E+02 kJ/mol
  Global net ELEC energy = -1.984883194538E+02 kJ/mol
print energy 5 (proton-solv) - 6 (proton-ref) end
  Local net energy (PE 0) = -2.959668753288E+02 kJ/mol
  Global net ELEC energy = -2.959668753288E+02 kJ/mol
print energy 3 (acetate-solv) - 4 (acetate-ref) + 5 (proton-solv) - 6 (proton-ref) - 1 (acetic-solv) + 2 (acetic-ref) end
  Local net energy (PE 0) = -4.721246714828E+02 kJ/mol
  Global net ELEC energy = -4.721246714828E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 122.371 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol.out
RESULT 5824.172730822
RESULT 9793.622759239
RESULT 5846.917564309
RESULT 9815.953282539
RESULT 8221.328580569
RESULT 13928.67783119
RESULT 8420.373979905
RESULT 14127.16615065
RESULT 3863.066835285
RESULT 6289.649216644
RESULT 4162.533113906
RESULT 6585.616091973
RESULT -22.33052329981
RESULT -198.4883194538
RESULT -295.9668753288
RESULT -472.1246714828
Testing computed result 5.824172730822E+03 against expected result 5.824173E+03
*** PASSED ***
Testing computed result 9.793622759239E+03 against expected result 9.793623E+03
*** PASSED ***
Testing computed result 5.846917564309E+03 against expected result 5.846918E+03
*** PASSED ***
Testing computed result 9.815953282539E+03 against expected result 9.815953E+03
*** PASSED ***
Testing computed result 8.221328580569E+03 against expected result 8.221329E+03
*** PASSED ***
Testing computed result 1.392867783119E+04 against expected result 1.392868E+04
*** PASSED ***
Testing computed result 8.420373979905E+03 against expected result 8.420374E+03
*** PASSED ***
Testing computed result 1.412716615065E+04 against expected result 1.412717E+04
*** PASSED ***
Testing computed result 3.863066835285E+03 against expected result 3.863067E+03
*** PASSED ***
Testing computed result 6.289649216644E+03 against expected result 6.289649E+03
*** PASSED ***
Testing computed result 4.162533113906E+03 against expected result 4.162533E+03
*** PASSED ***
Testing computed result 6.585616091973E+03 against expected result 6.585616E+03
*** PASSED ***
Testing computed result -2.233052329981E+01 against expected result -2.233050E+01
*** PASSED ***
Testing computed result -1.984883194538E+02 against expected result -1.984883E+02
*** PASSED ***
Testing computed result -2.959668753288E+02 against expected result -2.959669E+02
*** PASSED ***
Testing computed result -4.721246714828E+02 against expected result -4.721247E+02
*** PASSED ***
Elapsed time: 7.875838 seconds
--------------------------------------------------------------------------------
Total elapsed time: 16.224139 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for ion-pmf section
--------------------------------------------------------------------------------
Testing input file ion-pmf.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  ion-pmf.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file ion-pmf.in...
rank 0 size 1...
Parsed input file.
Reading parameter data from parm.dat.
Got paths for 1 molecules
Reading PDB-format atom data from ion-pmf.pdb.
Vpmg_ibForce:  No force for zero ionic strength!
Vpmg_ibForce:  No force for zero ionic strength!
  2 atoms
  Centered at (-1.000e+00, 0.000e+00, 0.000e+00)
  Net charge 2.00e+00 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.094 MB total, 61.094 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  All-atom solvent forces will be calculated
  Total electrostatic energy = 7.839535983197E+03 kJ/mol
  Calculating forces...
  Printing per-atom forces for molecule 1 (kJ/mol/A)
  Legend:
    tot n -- total force for atom n
    qf  n -- fixed charge force for atom n
    db  n -- dielectric boundary force for atom n
    ib  n -- ionic boundary force for atom n
mgF  tot 0  -3.760e+03  -4.398e-05  -7.763e-05
mgF  qf  0  -3.767e+03  -1.730e-05  -2.384e-05
mgF  ib  0  0.000e+00  0.000e+00  0.000e+00
mgF  db  0  6.148e+00  -2.668e-05  -5.379e-05
mgF  tot 1  -3.596e+03  -5.403e-05  -1.012e-04
mgF  qf  1  -3.598e+03  -2.253e-05  -3.831e-05
mgF  ib  1  0.000e+00  0.000e+00  0.000e+00
mgF  db  1  2.883e+00  -3.150e-05  -6.291e-05
Vpmg_ibForce:  No force for zero ionic strength!
Vpmg_ibForce:  No force for zero ionic strength!
----------------------------------------
CALCULATION #2 (ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.095 MB total, 61.134 MB high water
  Using cubic spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 1.000
  Solvent dielectric: 1.000
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  All-atom solvent forces will be calculated
  Total electrostatic energy = 8.964727588811E+03 kJ/mol
  Calculating forces...
  Printing per-atom forces for molecule 1 (kJ/mol/A)
  Legend:
    tot n -- total force for atom n
    qf  n -- fixed charge force for atom n
    db  n -- dielectric boundary force for atom n
    ib  n -- ionic boundary force for atom n
mgF  tot 0  -3.850e+03  -4.055e-06  -7.703e-06
mgF  qf  0  -3.850e+03  -4.055e-06  -7.703e-06
mgF  ib  0  0.000e+00  0.000e+00  0.000e+00
mgF  db  0  0.000e+00  0.000e+00  0.000e+00
mgF  tot 1  -3.514e+03  -4.163e-06  -7.690e-06
mgF  qf  1  -3.514e+03  -4.163e-06  -7.690e-06
mgF  ib  1  0.000e+00  0.000e+00  0.000e+00
mgF  db  1  0.000e+00  0.000e+00  0.000e+00
----------------------------------------
CALCULATION #3 (asolv): APOLAR
  Printing per atom forces (kJ/mol/A)
  Legend:
    tot  n -- Total force for atom n
    sasa n -- SASA force for atom n
    sav  n -- SAV force for atom n
    wca  n -- WCA force for atom n
    gamma    0.000720
    pressure 0.000000
    bconc    0.033000 
  tot  0 2.715e-02 9.130e-07 9.130e-07
  sasa 0 -1.100e+01 0.000e+00 0.000e+00
  sav  0 0.000e+00 0.000e+00 0.000e+00
  wca  0 -5.827e-01 -2.767e-05 -2.767e-05
  tot  1 -2.723e-02 9.133e-07 9.133e-07
  sasa 1 1.112e+01 0.000e+00 0.000e+00
  sav  1 0.000e+00 0.000e+00 0.000e+00
  wca  1 5.827e-01 -2.767e-05 -2.767e-05
Solvent Accessible Surface Area (SASA) for each atom:
  SASA for atom 0: 1.153275282828E+02
  SASA for atom 1: 1.153114143344E+02
Total solvent accessible surface area: 230.639 A^2
Surface tension*area energies (gamma * SASA) for each atom:
  Surface tension*area energy for atom 0: 8.303582036361E-02
  Surface tension*area energy for atom 1: 8.302421832080E-02
Total surface tension energy: 0.16606 kJ/mol
Total solvent accessible volume: 0 A^3
Total pressure*volume energy: 0 kJ/mol
WCA dispersion Energies for each atom:
  WCA energy for atom 0: -6.909718359932E+00
  WCA energy for atom 1: -6.909422551724E+00
Total WCA energy: -13.8191 kJ/mol
Total non-polar energy = -1.365308087297E+01 kJ/mol
----------------------------------------
PRINT STATEMENTS
print energy 1 (solv) - 2 (ref) end
  Local net energy (PE 0) = -1.125191605614E+03 kJ/mol
  Global net ELEC energy = -1.125191605614E+03 kJ/mol
print force 1 (solv) - 2 (ref) end
  Printing per-atom forces (kJ/mol/A).
  Legend:
    tot n -- Total force for atom n
    qf  n -- Fixed charge force for atom n
    db  n -- Dielectric boundary force for atom n
    ib  n -- Ionic boundary force for atom n
    tot all -- Total force for system
  qf  0  8.398642197666E+01  -1.324564548552E-05  -1.613435632529E-05
  ib  0  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00
  db  0  6.148357059184E+00  -2.667517425897E-05  -5.378919678211E-05
  tot 0  9.013477903584E+01  -3.992081974449E-05  -6.992355310740E-05
  qf  1  -8.466423642736E+01  -1.836748045969E-05  -3.062224428458E-05
  ib  1  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00
  db  1  2.882739230548E+00  -3.149946357588E-05  -6.291495506459E-05
  tot 1  -8.178149719681E+01  -4.986694403557E-05  -9.353719934917E-05
  tot all 8.353281839029E+00  -8.978776378007E-05  -1.634607524566E-04
print APOL energy 1 (asolv) end
  Global net APOL energy = -1.365308087297E+01 kJ/mol
print APOL force 1 (asolv) end
  Printing per atom forces (kJ/mol/A)
  Legend:
    tot   n -- Total force for atom n
    sasa  n -- SASA force for atom n
    sav   n -- SAV force for atom n
    wca   n -- WCA force for atom n
    tot all -- Total force for system
  sasa  0  -1.099776974333E+01  0.000000000000E+00  0.000000000000E+00
  sav   0  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00
  wca   0  -5.826577086437E-01  -2.766670515801E-05  -2.766670515838E-05
  tot   0  -1.158042745197E+01  -2.766670515801E-05  -2.766670515838E-05
  sasa  1  1.111862435589E+01  0.000000000000E+00  0.000000000000E+00
  sav   1  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00
  wca   1  5.826560767576E-01  -2.767485007141E-05  -2.767485007183E-05
  tot   1  1.170128043265E+01  -2.767485007141E-05  -2.767485007183E-05
  tot all  1.208529806779E-01  -5.534155522943E-05  -5.534155523021E-05
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  60.711 MB total, 62.228 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file ion-pmf.out
RESULT 7839.535983197
RESULT 8964.727588811
RESULT -1125.191605614
RESULT -13.65308087297
Testing computed result 7.839535983197E+03 against expected result 7.839536E+03
*** PASSED ***
Testing computed result 8.964727588811E+03 against expected result 8.964728E+03
*** PASSED ***
Testing computed result -1.125191605614E+03 against expected result -1.125192E+03
*** PASSED ***
Elapsed time: 26.875479 seconds
--------------------------------------------------------------------------------
Total elapsed time: 26.875479 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for ion-protein section
--------------------------------------------------------------------------------
Testing input file apbs-mol-pdiel2.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-pdiel2.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-pdiel2.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from small491.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  259 atoms
  Centered at (2.898e+02, 1.679e+02, 8.192e+01)
  Net charge 1.97e+01 e
Reading PQR-format atom data from 491.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (2.998e+02, 1.629e+02, 8.934e+01)
  Net charge 2.00e+00 e
Reading PQR-format atom data from complex.pqr.
  260 atoms
  Centered at (2.898e+02, 1.679e+02, 8.192e+01)
  Net charge 2.17e+01 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (protein): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  511.945 MB total, 511.945 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 1
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 7.525554553704E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (ion): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  499.857 MB total, 512.010 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 2
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.967613272771E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  512.010 MB total, 512.010 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 3
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.050875942181E+04 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (protein) - 2 (ion) end
  Local net energy (PE 0) = 1.559159533658E+01 kJ/mol
  Global net ELEC energy = 1.559159533658E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 512.010 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-pdiel2.out
RESULT 7525.554553704
RESULT 2967.613272771
RESULT 10508.75942181
RESULT 15.59159533658
Testing computed result 7.525554553704E+03 against expected result 7.525555E+03
*** PASSED ***
Testing computed result 2.967613272771E+03 against expected result 2.967613E+03
*** PASSED ***
Testing computed result 1.050875942181E+04 against expected result 1.050876E+04
*** PASSED ***
Testing computed result 1.559159533658E+01 against expected result 1.559160E+01
*** PASSED ***
Elapsed time: 43.588234 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol-pdiel2.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-pdiel2.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-pdiel2.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from small491.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  259 atoms
  Centered at (2.898e+02, 1.679e+02, 8.192e+01)
  Net charge 1.97e+01 e
Reading PQR-format atom data from 491.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (2.998e+02, 1.629e+02, 8.934e+01)
  Net charge 2.00e+00 e
Reading PQR-format atom data from complex.pqr.
  260 atoms
  Centered at (2.898e+02, 1.679e+02, 8.192e+01)
  Net charge 2.17e+01 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (protein): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  511.945 MB total, 511.945 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 1
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 7.561237446444E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (ion): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  499.857 MB total, 512.010 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 2
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.974076897757E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  512.010 MB total, 512.010 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 3
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.055886976547E+04 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (protein) - 2 (ion) end
  Local net energy (PE 0) = 2.355542126539E+01 kJ/mol
  Global net ELEC energy = 2.355542126539E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 512.010 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-pdiel2.out
RESULT 7561.237446444
RESULT 2974.076897757
RESULT 10558.86976547
RESULT 23.55542126539
Testing computed result 7.561237446444E+03 against expected result 7.561237E+03
*** PASSED ***
Testing computed result 2.974076897757E+03 against expected result 2.974077E+03
*** PASSED ***
Testing computed result 1.055886976547E+04 against expected result 1.055887E+04
*** PASSED ***
Testing computed result 2.355542126539E+01 against expected result 2.355542E+01
*** PASSED ***
Elapsed time: 37.584189 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-mol-pdiel12.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-pdiel12.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-pdiel12.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from small491.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  259 atoms
  Centered at (2.898e+02, 1.679e+02, 8.192e+01)
  Net charge 1.97e+01 e
Reading PQR-format atom data from 491.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (2.998e+02, 1.629e+02, 8.934e+01)
  Net charge 2.00e+00 e
Reading PQR-format atom data from complex.pqr.
  260 atoms
  Centered at (2.898e+02, 1.679e+02, 8.192e+01)
  Net charge 2.17e+01 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (protein): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  511.945 MB total, 511.945 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 1
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 12.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.363584355927E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (ion): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  499.857 MB total, 512.010 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 2
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 12.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 5.110802147229E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  512.010 MB total, 512.010 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 3
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 12.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.892691797082E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (protein) - 2 (ion) end
  Local net energy (PE 0) = 1.802722643145E+01 kJ/mol
  Global net ELEC energy = 1.802722643145E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 512.010 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-pdiel12.out
RESULT 1363.584355927
RESULT 511.0802147229
RESULT 1892.691797082
RESULT 18.02722643145
Testing computed result 1.363584355927E+03 against expected result 1.363584E+03
*** PASSED ***
Testing computed result 5.110802147229E+02 against expected result 5.110802E+02
*** PASSED ***
Testing computed result 1.892691797082E+03 against expected result 1.892692E+03
*** PASSED ***
Testing computed result 1.802722643145E+01 against expected result 1.802723E+01
*** PASSED ***
Elapsed time: 32.964095 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol-pdiel12.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-pdiel12.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-pdiel12.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from small491.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  259 atoms
  Centered at (2.898e+02, 1.679e+02, 8.192e+01)
  Net charge 1.97e+01 e
Reading PQR-format atom data from 491.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (2.998e+02, 1.629e+02, 8.934e+01)
  Net charge 2.00e+00 e
Reading PQR-format atom data from complex.pqr.
  260 atoms
  Centered at (2.898e+02, 1.679e+02, 8.192e+01)
  Net charge 2.17e+01 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (protein): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  511.945 MB total, 511.945 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 1
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 12.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.366571366426E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (ion): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  499.857 MB total, 512.010 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 2
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 12.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 5.108315415905E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  13.5959 A
  Current memory usage:  512.010 MB total, 512.010 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 129 x 129 x 129
  Grid spacings: 0.523 x 0.523 x 0.586
  Grid lengths: 67.000 x 67.000 x 75.000
  Grid center: (289.756, 167.946, 81.925)
  Multigrid levels: 6
  Molecule ID: 3
  Nonlinear traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.050 M concentration
    2.000 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 12.000
  Solvent dielectric: 78.400
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.896685358215E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (protein) - 2 (ion) end
  Local net energy (PE 0) = 1.928245019843E+01 kJ/mol
  Global net ELEC energy = 1.928245019843E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 512.010 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-pdiel12.out
RESULT 1366.571366426
RESULT 510.8315415905
RESULT 1896.685358215
RESULT 19.28245019843
Testing computed result 1.366571366426E+03 against expected result 1.366571E+03
*** PASSED ***
Testing computed result 5.108315415905E+02 against expected result 5.108315E+02
*** PASSED ***
Testing computed result 1.896685358215E+03 against expected result 1.896685E+03
*** PASSED ***
Testing computed result 1.928245019843E+01 against expected result 1.928245E+01
*** PASSED ***
Elapsed time: 33.794314 seconds
--------------------------------------------------------------------------------
Total elapsed time: 147.930832 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for pka-lig section
--------------------------------------------------------------------------------
Testing input file apbs-mol-vdw.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-vdw.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-vdw.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from bx6_7_lig_apbs.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  47 atoms
  Centered at (2.482e+01, -3.315e+01, 2.154e+01)
  Net charge 1.11e-16 e
Reading PQR-format atom data from bx6_7_apo_apbs.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  3423 atoms
  Centered at (2.897e+01, -3.251e+01, 2.702e+01)
  Net charge 1.00e+00 e
Reading PQR-format atom data from bx6_7_bin_apbs.pqr.
  3470 atoms
  Centered at (2.897e+01, -3.251e+01, 2.702e+01)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (lig-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  203.811 MB total, 203.811 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.224988750664E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (lig-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  203.811 MB total, 405.040 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.049695084686E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (pka-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  270.381 MB total, 405.040 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 2
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.818450789522E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (pka-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  270.381 MB total, 491.899 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.008254338259E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  271.059 MB total, 491.899 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 3
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.840918409896E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  271.059 MB total, 492.811 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.113304681884E+05 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 6 (complex-fine) - 2 (lig-fine) - 4 (pka-fine) end
  Local net energy (PE 0) = 8.083515648730E+00 kJ/mol
  Global net ELEC energy = 8.083515648730E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 492.811 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-vdw.out
RESULT 2224.988750664
RESULT 10496.95084686
RESULT 181845.0789522
RESULT 300825.4338259
RESULT 184091.8409896
RESULT 311330.4681884
RESULT 8.08351564873
Testing computed result 2.224988750664E+03 against expected result 2.224989E+03
*** PASSED ***
Testing computed result 1.049695084686E+04 against expected result 1.049695E+04
*** PASSED ***
Testing computed result 1.818450789522E+05 against expected result 1.818451E+05
*** PASSED ***
Testing computed result 3.008254338259E+05 against expected result 3.008254E+05
*** PASSED ***
Testing computed result 1.840918409896E+05 against expected result 1.840918E+05
*** PASSED ***
Testing computed result 3.113304681884E+05 against expected result 3.113305E+05
*** PASSED ***
Testing computed result 8.083515648730E+00 against expected result 8.083516E+00
*** PASSED ***
Elapsed time: 38.653639 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol-vdw.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-vdw.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-vdw.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from bx6_7_lig_apbs.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  47 atoms
  Centered at (2.482e+01, -3.315e+01, 2.154e+01)
  Net charge 1.11e-16 e
Reading PQR-format atom data from bx6_7_apo_apbs.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  3423 atoms
  Centered at (2.897e+01, -3.251e+01, 2.702e+01)
  Net charge 1.00e+00 e
Reading PQR-format atom data from bx6_7_bin_apbs.pqr.
  3470 atoms
  Centered at (2.897e+01, -3.251e+01, 2.702e+01)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (lig-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  203.811 MB total, 203.811 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.226793167046E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (lig-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  203.811 MB total, 405.040 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.050504485887E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (pka-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  270.381 MB total, 405.040 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 2
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.827976621645E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (pka-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  270.381 MB total, 491.899 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.017228546773E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  271.059 MB total, 491.899 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 3
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.850819075387E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  271.059 MB total, 492.811 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.122488625388E+05 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 6 (complex-fine) - 2 (lig-fine) - 4 (pka-fine) end
  Local net energy (PE 0) = 2.096300255723E+01 kJ/mol
  Global net ELEC energy = 2.096300255723E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 492.811 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-vdw.out
RESULT 2226.793167046
RESULT 10505.04485887
RESULT 182797.6621645
RESULT 301722.8546773
RESULT 185081.9075387
RESULT 312248.8625388
RESULT 20.96300255723
Testing computed result 2.226793167046E+03 against expected result 2.226793E+03
*** PASSED ***
Testing computed result 1.050504485887E+04 against expected result 1.050504E+04
*** PASSED ***
Testing computed result 1.827976621645E+05 against expected result 1.827977E+05
*** PASSED ***
Testing computed result 3.017228546773E+05 against expected result 3.017229E+05
*** PASSED ***
Testing computed result 1.850819075387E+05 against expected result 1.850819E+05
*** PASSED ***
Testing computed result 3.122488625388E+05 against expected result 3.122489E+05
*** PASSED ***
Testing computed result 2.096300255723E+01 against expected result 2.096296E+01
*** PASSED ***
Elapsed time: 31.792000 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-mol-surf.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol-surf.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol-surf.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from bx6_7_lig_apbs.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  47 atoms
  Centered at (2.482e+01, -3.315e+01, 2.154e+01)
  Net charge 1.11e-16 e
Reading PQR-format atom data from bx6_7_apo_apbs.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  3423 atoms
  Centered at (2.897e+01, -3.251e+01, 2.702e+01)
  Net charge 1.00e+00 e
Reading PQR-format atom data from bx6_7_bin_apbs.pqr.
  3470 atoms
  Centered at (2.897e+01, -3.251e+01, 2.702e+01)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (lig-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  203.396 MB total, 203.396 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.244350164274E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (lig-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  203.396 MB total, 404.625 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.052149475373E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (pka-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  230.750 MB total, 404.625 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 2
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.862615690066E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (pka-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  230.750 MB total, 452.268 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.051810884053E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  230.854 MB total, 452.268 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 3
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.886625455219E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  230.854 MB total, 452.606 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.158218439277E+05 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 6 (complex-fine) - 2 (lig-fine) - 4 (pka-fine) end
  Local net energy (PE 0) = 1.192607686581E+02 kJ/mol
  Global net ELEC energy = 1.192607686581E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 452.606 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol-surf.out
RESULT 2244.350164274
RESULT 10521.49475373
RESULT 186261.5690066
RESULT 305181.0884053
RESULT 188662.5455219
RESULT 315821.8439277
RESULT 119.2607686581
Testing computed result 2.244350164274E+03 against expected result 2.244350E+03
*** PASSED ***
Testing computed result 1.052149475373E+04 against expected result 1.052149E+04
*** PASSED ***
Testing computed result 1.862615690066E+05 against expected result 1.862616E+05
*** PASSED ***
Testing computed result 3.051810884053E+05 against expected result 3.051811E+05
*** PASSED ***
Testing computed result 1.886625455219E+05 against expected result 1.886625E+05
*** PASSED ***
Testing computed result 3.158218439277E+05 against expected result 3.158218E+05
*** PASSED ***
Testing computed result 1.192607686581E+02 against expected result 1.192608E+02
*** PASSED ***
Elapsed time: 32.930495 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol-surf.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol-surf.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol-surf.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from bx6_7_lig_apbs.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  47 atoms
  Centered at (2.482e+01, -3.315e+01, 2.154e+01)
  Net charge 1.11e-16 e
Reading PQR-format atom data from bx6_7_apo_apbs.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  3423 atoms
  Centered at (2.897e+01, -3.251e+01, 2.702e+01)
  Net charge 1.00e+00 e
Reading PQR-format atom data from bx6_7_bin_apbs.pqr.
  3470 atoms
  Centered at (2.897e+01, -3.251e+01, 2.702e+01)
  Net charge 1.00e+00 e
Preparing to run 6 PBE calculations.
----------------------------------------
CALCULATION #1 (lig-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  203.396 MB total, 203.396 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.251466789420E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (lig-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  203.396 MB total, 404.625 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 1
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.052814502873E+04 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (pka-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  230.750 MB total, 404.625 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 2
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.864071689626E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #4 (pka-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  230.750 MB total, 452.268 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 2
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.053319953673E+05 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #5 (complex-coarse): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  230.854 MB total, 452.268 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.729 x 0.729 x 0.729
  Grid lengths: 70.000 x 70.000 x 70.000
  Grid center: (28.969, -32.507, 27.022)
  Multigrid levels: 4
  Molecule ID: 3
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.888027142979E+05 kJ/mol
  Calculating forces...
[focusFillBound()]: WARNING:
    Unusually large potential values
    detected on the focusing boundary!
    Convergence not guaranteed for NPBE/NRPBE calculations!
----------------------------------------
CALCULATION #6 (complex-fine): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  230.854 MB total, 452.606 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 97 x 97 x 97
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 24.000 x 24.000 x 24.000
  Grid center: (24.822, -33.153, 21.545)
  Multigrid levels: 4
  Molecule ID: 3
  Linearized traditional PBE
  Boundary conditions from focusing
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 1.400 A
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.159690177241E+05 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 6 (complex-fine) - 2 (lig-fine) - 4 (pka-fine) end
  Local net energy (PE 0) = 1.088773280806E+02 kJ/mol
  Global net ELEC energy = 1.088773280806E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 452.606 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol-surf.out
RESULT 2251.46678942
RESULT 10528.14502873
RESULT 186407.1689626
RESULT 305331.9953673
RESULT 188802.7142979
RESULT 315969.0177241
RESULT 108.8773280806
Testing computed result 2.251466789420E+03 against expected result 2.251467E+03
*** PASSED ***
Testing computed result 1.052814502873E+04 against expected result 1.052815E+04
*** PASSED ***
Testing computed result 1.864071689626E+05 against expected result 1.864072E+05
*** PASSED ***
Testing computed result 3.053319953673E+05 against expected result 3.053320E+05
*** PASSED ***
Testing computed result 1.888027142979E+05 against expected result 1.888027E+05
*** PASSED ***
Testing computed result 3.159690177241E+05 against expected result 3.159690E+05
*** PASSED ***
Testing computed result 1.088773280806E+02 against expected result 1.088773E+02
*** PASSED ***
Elapsed time: 28.794942 seconds
--------------------------------------------------------------------------------
Total elapsed time: 132.171076 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for point-pmf section
--------------------------------------------------------------------------------
Testing input file complex-0_1.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  complex-0_1.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file complex-0_1.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol0.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (-3.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Reading PQR-format atom data from mol1.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (-2.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Reading PQR-format atom data from complex-0_1.pqr.
  2 atoms
  Centered at (-2.500e+00, 0.000e+00, 0.000e+00)
  Net charge 2.00e+00 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (point1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.059 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.776035707281E+01 kJ/mol
  Fixed charge energy = 97.7604 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 96.5336 kJ/mol
  Per-atom energies:
      Atom 0:  9.776035707281E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (point2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.066 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 8.975920687031E+01 kJ/mol
  Fixed charge energy = 89.7592 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 88.6151 kJ/mol
  Per-atom energies:
      Atom 0:  8.975920687031E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.066 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.058277719334E+02 kJ/mol
  Fixed charge energy = 205.828 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 201.106 kJ/mol
  Per-atom energies:
      Atom 0:  1.069144350786E+02 kJ/mol
      Atom 1:  9.891333685475E+01 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (point1) - 2 (point2) end
  Local net energy (PE 0) = 1.830820799027E+01 kJ/mol
  Global net ELEC energy = 1.830820799027E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 61.066 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file complex-0_1.out
RESULT 97.76035707281
RESULT 89.75920687031
RESULT 205.8277719334
RESULT 0.0
RESULT 0.0
RESULT 0.0
RESULT 97.7604
RESULT 89.7592
RESULT 205.828
RESULT 96.5336
RESULT 88.6151
RESULT 201.106
RESULT 18.30820799027
Testing computed result 9.776035707281E+01 against expected result 9.776036E+01
*** PASSED ***
Testing computed result 8.975920687031E+01 against expected result 8.975921E+01
*** PASSED ***
Testing computed result 2.058277719334E+02 against expected result 2.058278E+02
*** PASSED ***
Testing computed result 9.776040000000E+01 against expected result 9.776040E+01
*** PASSED ***
Testing computed result 8.975920000000E+01 against expected result 8.975920E+01
*** PASSED ***
Testing computed result 2.058280000000E+02 against expected result 2.058280E+02
*** PASSED ***
Testing computed result 9.653360000000E+01 against expected result 9.653360E+01
*** PASSED ***
Testing computed result 8.861510000000E+01 against expected result 8.861510E+01
*** PASSED ***
Testing computed result 2.011060000000E+02 against expected result 2.011060E+02
*** PASSED ***
Testing computed result 1.830820799027E+01 against expected result 1.830821E+01
*** PASSED ***
Elapsed time: 1.633679 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file complex-0_2.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  complex-0_2.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file complex-0_2.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol0.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (-3.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Reading PQR-format atom data from mol2.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (-1.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Reading PQR-format atom data from complex-0_2.pqr.
  2 atoms
  Centered at (-2.000e+00, 0.000e+00, 0.000e+00)
  Net charge 2.00e+00 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (point1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.059 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.776035707281E+01 kJ/mol
  Fixed charge energy = 97.7604 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 96.5336 kJ/mol
  Per-atom energies:
      Atom 0:  9.776035707281E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (point2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.066 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.017611498797E+02 kJ/mol
  Fixed charge energy = 101.761 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 100.656 kJ/mol
  Per-atom energies:
      Atom 0:  1.017611498797E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.066 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.084282010393E+02 kJ/mol
  Fixed charge energy = 208.428 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 203.83 kJ/mol
  Per-atom energies:
      Atom 0:  1.022136878480E+02 kJ/mol
      Atom 1:  1.062145131913E+02 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (point1) - 2 (point2) end
  Local net energy (PE 0) = 8.906694086750E+00 kJ/mol
  Global net ELEC energy = 8.906694086750E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 61.066 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file complex-0_2.out
RESULT 97.76035707281
RESULT 101.7611498797
RESULT 208.4282010393
RESULT 0.0
RESULT 0.0
RESULT 0.0
RESULT 97.7604
RESULT 101.761
RESULT 208.428
RESULT 96.5336
RESULT 100.656
RESULT 203.83
RESULT 8.90669408675
Testing computed result 9.776035707281E+01 against expected result 9.776036E+01
*** PASSED ***
Testing computed result 1.017611498797E+02 against expected result 1.017611E+02
*** PASSED ***
Testing computed result 2.084282010393E+02 against expected result 2.084282E+02
*** PASSED ***
Testing computed result 9.776040000000E+01 against expected result 9.776040E+01
*** PASSED ***
Testing computed result 1.017610000000E+02 against expected result 1.017610E+02
*** PASSED ***
Testing computed result 2.084280000000E+02 against expected result 2.084280E+02
*** PASSED ***
Testing computed result 9.653360000000E+01 against expected result 9.653360E+01
*** PASSED ***
Testing computed result 1.006560000000E+02 against expected result 1.006560E+02
*** PASSED ***
Testing computed result 2.038300000000E+02 against expected result 2.038300E+02
*** PASSED ***
Testing computed result 8.906694086750E+00 against expected result 8.906694E+00
*** PASSED ***
Elapsed time: 1.628485 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file complex-0_3.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  complex-0_3.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file complex-0_3.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol0.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (-3.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Reading PQR-format atom data from mol3.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (0.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Reading PQR-format atom data from complex-0_3.pqr.
  2 atoms
  Centered at (-1.500e+00, 0.000e+00, 0.000e+00)
  Net charge 2.00e+00 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (point1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.059 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.776035707281E+01 kJ/mol
  Fixed charge energy = 97.7604 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 96.5336 kJ/mol
  Per-atom energies:
      Atom 0:  9.776035707281E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (point2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.066 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.337661883222E+02 kJ/mol
  Fixed charge energy = 133.766 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 132.672 kJ/mol
  Per-atom energies:
      Atom 0:  1.337661883222E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.066 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.374361452120E+02 kJ/mol
  Fixed charge energy = 237.436 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 232.924 kJ/mol
  Per-atom energies:
      Atom 0:  1.007151570480E+02 kJ/mol
      Atom 1:  1.367209881640E+02 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (point1) - 2 (point2) end
  Local net energy (PE 0) = 5.909599816984E+00 kJ/mol
  Global net ELEC energy = 5.909599816984E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 61.066 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file complex-0_3.out
RESULT 97.76035707281
RESULT 133.7661883222
RESULT 237.436145212
RESULT 0.0
RESULT 0.0
RESULT 0.0
RESULT 97.7604
RESULT 133.766
RESULT 237.436
RESULT 96.5336
RESULT 132.672
RESULT 232.924
RESULT 5.909599816984
Testing computed result 9.776035707281E+01 against expected result 9.776036E+01
*** PASSED ***
Testing computed result 1.337661883222E+02 against expected result 1.337662E+02
*** PASSED ***
Testing computed result 2.374361452120E+02 against expected result 2.374361E+02
*** PASSED ***
Testing computed result 9.776040000000E+01 against expected result 9.776040E+01
*** PASSED ***
Testing computed result 1.337660000000E+02 against expected result 1.337660E+02
*** PASSED ***
Testing computed result 2.374360000000E+02 against expected result 2.374360E+02
*** PASSED ***
Testing computed result 9.653360000000E+01 against expected result 9.653360E+01
*** PASSED ***
Testing computed result 1.326720000000E+02 against expected result 1.326720E+02
*** PASSED ***
Testing computed result 2.329240000000E+02 against expected result 2.329240E+02
*** PASSED ***
Testing computed result 5.909599816984E+00 against expected result 5.909600E+00
*** PASSED ***
Elapsed time: 1.614900 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file complex-0_4.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  complex-0_4.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file complex-0_4.in...
rank 0 size 1...
Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mol0.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (-3.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Reading PQR-format atom data from mol4.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  1 atoms
  Centered at (1.000e+00, 0.000e+00, 0.000e+00)
  Net charge 1.00e+00 e
Reading PQR-format atom data from complex-0_4.pqr.
  2 atoms
  Centered at (-1.000e+00, 0.000e+00, 0.000e+00)
  Net charge 2.00e+00 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (point1): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.059 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 9.776035707281E+01 kJ/mol
  Fixed charge energy = 97.7604 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 96.5336 kJ/mol
  Per-atom energies:
      Atom 0:  9.776035707281E+01 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (point2): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.066 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.017611498797E+02 kJ/mol
  Fixed charge energy = 101.761 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 100.654 kJ/mol
  Per-atom energies:
      Atom 0:  1.017611498797E+02 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (complex): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (0 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.059 MB total, 61.066 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.210 x 0.210 x 0.210
  Grid lengths: 13.440 x 13.440 x 13.440
  Grid center: (0.000, 0.000, 0.000)
  Multigrid levels: 5
  Molecule ID: 3
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  0 ion species (0.000 M ionic strength):
  Solute dielectric: 78.540
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.039516519000E+02 kJ/mol
  Fixed charge energy = 203.952 kJ/mol
  Mobile charge energy = 0 kJ/mol
  Dielectric energy = 199.493 kJ/mol
  Per-atom energies:
      Atom 0:  9.997541697022E+01 kJ/mol
      Atom 1:  1.039762349297E+02 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 3 (complex) - 1 (point1) - 2 (point2) end
  Local net energy (PE 0) = 4.430144947418E+00 kJ/mol
  Global net ELEC energy = 4.430144947418E+00 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 61.066 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file complex-0_4.out
RESULT 97.76035707281
RESULT 101.7611498797
RESULT 203.9516519
RESULT 0.0
RESULT 0.0
RESULT 0.0
RESULT 97.7604
RESULT 101.761
RESULT 203.952
RESULT 96.5336
RESULT 100.654
RESULT 199.493
RESULT 4.430144947418
Testing computed result 9.776035707281E+01 against expected result 9.776036E+01
*** PASSED ***
Testing computed result 1.017611498797E+02 against expected result 1.017611E+02
*** PASSED ***
Testing computed result 2.039516519000E+02 against expected result 2.039517E+02
*** PASSED ***
Testing computed result 9.776040000000E+01 against expected result 9.776040E+01
*** PASSED ***
Testing computed result 1.017610000000E+02 against expected result 1.017610E+02
*** PASSED ***
Testing computed result 2.039520000000E+02 against expected result 2.039520E+02
*** PASSED ***
Testing computed result 9.653360000000E+01 against expected result 9.653360E+01
*** PASSED ***
Testing computed result 1.006540000000E+02 against expected result 1.006540E+02
*** PASSED ***
Testing computed result 1.994930000000E+02 against expected result 1.994930E+02
*** PASSED ***
Testing computed result 4.430144947418E+00 against expected result 4.430145E+00
*** PASSED ***
Elapsed time: 1.653121 seconds
--------------------------------------------------------------------------------
Total elapsed time: 6.530185 seconds
Test results have been logged
--------------------------------------------------------------------------------
Running tests for solv section
--------------------------------------------------------------------------------
Testing input file apbs-mol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-mol.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-mol.in...
rank 0 size 1...
Parsed input file.
Got paths for 2 molecules
Reading PQR-format atom data from methanol.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  3 atoms
  Centered at (3.086e-01, 0.000e+00, -2.417e-01)
  Net charge 5.55e-17 e
Reading PQR-format atom data from methoxide.pqr.
  2 atoms
  Centered at (0.000e+00, 0.000e+00, -1.279e-01)
  Net charge -1.00e+00 e
Preparing to run 4 PBE calculations.
----------------------------------------
CALCULATION #1 (methanol-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.247 MB total, 61.247 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 16.000 x 16.000 x 16.000
  Grid center: (0.309, 0.000, -0.242)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.847663548071E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (methanol-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.247 MB total, 61.316 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 16.000 x 16.000 x 16.000
  Grid center: (0.309, 0.000, -0.242)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.883912182952E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (methoxide-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.243 MB total, 61.316 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 16.000 x 16.000 x 16.000
  Grid center: (0.000, 0.000, -0.128)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.732623683321E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (methoxide-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.243 MB total, 61.316 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 16.000 x 16.000 x 16.000
  Grid center: (0.000, 0.000, -0.128)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition; no smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.123035854133E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (methanol-solv) - 2 (methanol-ref) end
  Local net energy (PE 0) = -3.624863488074E+01 kJ/mol
  Global net ELEC energy = -3.624863488074E+01 kJ/mol
print energy 3 (methoxide-solv) - 4 (methoxide-ref) end
  Local net energy (PE 0) = -3.904121708125E+02 kJ/mol
  Global net ELEC energy = -3.904121708125E+02 kJ/mol
print energy 3 (methoxide-solv) - 4 (methoxide-ref) - 1 (methanol-solv) + 2 (methanol-ref) end
  Local net energy (PE 0) = -3.541635359318E+02 kJ/mol
  Global net ELEC energy = -3.541635359318E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 2 molecules
Final memory usage:  0.001 MB total, 61.316 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-mol.out
RESULT 1847.663548071
RESULT 1883.912182952
RESULT 2732.623683321
RESULT 3123.035854133
RESULT -36.24863488074
RESULT -390.4121708125
RESULT -354.1635359318
Testing computed result 1.847663548071E+03 against expected result 1.847664E+03
*** PASSED ***
Testing computed result 1.883912182952E+03 against expected result 1.883912E+03
*** PASSED ***
Testing computed result 2.732623683321E+03 against expected result 2.732624E+03
*** PASSED ***
Testing computed result 3.123035854133E+03 against expected result 3.123036E+03
*** PASSED ***
Testing computed result -3.624863488074E+01 against expected result -3.624863E+01
*** PASSED ***
Testing computed result -3.904121708125E+02 against expected result -3.904121E+02
*** PASSED ***
Testing computed result -3.541635359318E+02 against expected result -3.541635E+02
*** PASSED ***
Elapsed time: 2.533080 seconds
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
Testing input file apbs-smol.in
BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs
INPUT:  apbs-smol.in
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:
    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    
This executable compiled on Jan 19 2022 at 00:00:00
Parsing input file apbs-smol.in...
rank 0 size 1...
Parsed input file.
Got paths for 2 molecules
Reading PQR-format atom data from methanol.pqr.
asc_getToken: Error occurred (bailing out).
Vio_scanf: Format problem with input.
  3 atoms
  Centered at (3.086e-01, 0.000e+00, -2.417e-01)
  Net charge 5.55e-17 e
Reading PQR-format atom data from methoxide.pqr.
  2 atoms
  Centered at (0.000e+00, 0.000e+00, -1.279e-01)
  Net charge -1.00e+00 e
Preparing to run 4 PBE calculations.
----------------------------------------
CALCULATION #1 (methanol-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.247 MB total, 61.247 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 16.000 x 16.000 x 16.000
  Grid center: (0.309, 0.000, -0.242)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.847860440020E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #2 (methanol-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.247 MB total, 61.316 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 16.000 x 16.000 x 16.000
  Grid center: (0.309, 0.000, -0.242)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 1.885436377745E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #3 (methoxide-solv): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.243 MB total, 61.316 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 16.000 x 16.000 x 16.000
  Grid center: (0.000, 0.000, -0.128)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 2.734040568569E+03 kJ/mol
  Calculating forces...
----------------------------------------
CALCULATION #4 (methoxide-ref): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
  Debye length:  0 A
  Current memory usage:  61.243 MB total, 61.316 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 0.250 x 0.250 x 0.250
  Grid lengths: 16.000 x 16.000 x 16.000
  Grid center: (0.000, 0.000, -0.128)
  Multigrid levels: 5
  Molecule ID: 2
  Linearized traditional PBE
  Multiple Debye-Huckel sphere boundary conditions
  2 ion species (0.000 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.000 M concentration
    2.000 A-radius, -1.000 e-charge, 0.000 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 1.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  300.000 K
  Electrostatic energies will be calculated
  Total electrostatic energy = 3.125279428954E+03 kJ/mol
  Calculating forces...
----------------------------------------
PRINT STATEMENTS
print energy 1 (methanol-solv) - 2 (methanol-ref) end
  Local net energy (PE 0) = -3.757593772493E+01 kJ/mol
  Global net ELEC energy = -3.757593772493E+01 kJ/mol
print energy 3 (methoxide-solv) - 4 (methoxide-ref) end
  Local net energy (PE 0) = -3.912388603848E+02 kJ/mol
  Global net ELEC energy = -3.912388603848E+02 kJ/mol
print energy 3 (methoxide-solv) - 4 (methoxide-ref) - 1 (methanol-solv) + 2 (methanol-ref) end
  Local net energy (PE 0) = -3.536629226599E+02 kJ/mol
  Global net ELEC energy = -3.536629226599E+02 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 2 molecules
Final memory usage:  0.001 MB total, 61.316 MB high water
Thanks for using APBS!
Checking for intermidiate energies in input file apbs-smol.out
RESULT 1847.86044002
RESULT 1885.436377745
RESULT 2734.040568569
RESULT 3125.279428954
RESULT -37.57593772493
RESULT -391.2388603848
RESULT -353.6629226599
Testing computed result 1.847860440020E+03 against expected result 1.847860E+03
*** PASSED ***
Testing computed result 1.885436377745E+03 against expected result 1.885436E+03
*** PASSED ***
Testing computed result 2.734040568569E+03 against expected result 2.734041E+03
*** PASSED ***
Testing computed result 3.125279428954E+03 against expected result 3.125279E+03
*** PASSED ***
Testing computed result -3.757593772493E+01 against expected result -3.757594E+01
*** PASSED ***
Testing computed result -3.912388603848E+02 against expected result -3.912388E+02
*** PASSED ***
Testing computed result -3.536629226599E+02 against expected result -3.536629E+02
*** PASSED ***
Elapsed time: 2.520602 seconds
--------------------------------------------------------------------------------
Total elapsed time: 5.053682 seconds
Test results have been logged
--------------------------------------------------------------------------------
Processing files: apbs-3.0.0-14.fc36.armv7hl
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: apbs = 3.0.0-14.fc36 apbs(armv7hl-32) = 3.0.0-14.fc36
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-armhf.so.3 ld-linux-armhf.so.3(GLIBC_2.4) libapbs.so.1 libc.so.6 libc.so.6(GLIBC_2.34) libc.so.6(GLIBC_2.4) libgcc_s.so.1 libgcc_s.so.1(GCC_3.5) libm.so.6 libm.so.6(GLIBC_2.4) libmaloc.so.1 rtld(GNU_HASH)
Processing files: apbs-tools-3.0.0-14.fc36.armv7hl
warning: absolute symlink: /usr/bin/apbs-psize.py -> /usr/lib/python3.10/site-packages/apbs/psize.py
Provides: apbs-tools = 3.0.0-14.fc36 apbs-tools(armv7hl-32) = 3.0.0-14.fc36
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-armhf.so.3 ld-linux-armhf.so.3(GLIBC_2.4) libapbs.so.1 libc.so.6 libc.so.6(GLIBC_2.34) libc.so.6(GLIBC_2.4) libc.so.6(GLIBC_2.7) libgcc_s.so.1 libgcc_s.so.1(GCC_3.5) libm.so.6 libm.so.6(GLIBC_2.29) libm.so.6(GLIBC_2.4) libmaloc.so.1 rtld(GNU_HASH)
Processing files: apbs-libs-3.0.0-14.fc36.armv7hl
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.H8I7QK
+ umask 022
+ cd /builddir/build/BUILD
+ cd apbs-3.0.0
+ DOCDIR=/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/doc/apbs-libs
+ export LC_ALL=C
+ LC_ALL=C
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/doc/apbs-libs
+ cp -pr README.md /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/doc/apbs-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.Qn4y7f
+ umask 022
+ cd /builddir/build/BUILD
+ cd apbs-3.0.0
+ LICENSEDIR=/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/licenses/apbs-libs
+ export LC_ALL=C
+ LC_ALL=C
+ export LICENSEDIR
+ /usr/bin/mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/licenses/apbs-libs
+ cp -pr LICENSE.md /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/licenses/apbs-libs
+ cp -pr COPYING /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/licenses/apbs-libs
+ cp -pr contrib/iapbs/iapbs-COPYING /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/licenses/apbs-libs
+ cp -pr contrib/iapbs/iapbs-LGPLv2 /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/licenses/apbs-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: apbs-libs = 3.0.0-14.fc36 apbs-libs(armv7hl-32) = 3.0.0-14.fc36 libapbs.so.1
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-armhf.so.3 ld-linux-armhf.so.3(GLIBC_2.4) libc.so.6 libc.so.6(GLIBC_2.4) libc.so.6(GLIBC_2.7) libgcc_s.so.1 libgcc_s.so.1(GCC_3.3.1) libgcc_s.so.1(GCC_3.5) libgomp.so.1 libgomp.so.1(GOMP_4.0) libgomp.so.1(OMP_1.0) libm.so.6 libm.so.6(GLIBC_2.29) libm.so.6(GLIBC_2.4) rtld(GNU_HASH)
Processing files: apbs-devel-3.0.0-14.fc36.armv7hl
Provides: apbs-devel = 3.0.0-14.fc36 apbs-devel(armv7hl-32) = 3.0.0-14.fc36
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libapbs.so.1
Processing files: apbs-doc-3.0.0-14.fc36.noarch
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.cypJ1V
+ umask 022
+ cd /builddir/build/BUILD
+ cd apbs-3.0.0
+ DOCDIR=/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/doc/apbs-doc
+ export LC_ALL=C
+ LC_ALL=C
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/doc/apbs-doc
+ cp -pr build/doc /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/doc/apbs-doc
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.yq4xGO
+ umask 022
+ cd /builddir/build/BUILD
+ cd apbs-3.0.0
+ LICENSEDIR=/builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/licenses/apbs-doc
+ export LC_ALL=C
+ LC_ALL=C
+ export LICENSEDIR
+ /usr/bin/mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/licenses/apbs-doc
+ cp -pr LICENSE.md /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm/usr/share/licenses/apbs-doc
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: apbs-doc = 3.0.0-14.fc36
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: python3-apbs-3.0.0-14.fc36.armv7hl
Provides: python-apbs = 3.0.0-14.fc36 python3-apbs = 3.0.0-14.fc36 python3-apbs(armv7hl-32) = 3.0.0-14.fc36 python3.10-apbs = 3.0.0-14.fc36
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/python3 ld-linux-armhf.so.3 ld-linux-armhf.so.3(GLIBC_2.4) libc.so.6 libc.so.6(GLIBC_2.4) libc.so.6(GLIBC_2.7) libgcc_s.so.1 libgcc_s.so.1(GCC_3.3.1) libgcc_s.so.1(GCC_3.5) libgomp.so.1 libgomp.so.1(GOMP_4.0) libgomp.so.1(OMP_1.0) libm.so.6 libm.so.6(GLIBC_2.29) libm.so.6(GLIBC_2.4) libmaloc.so.1 libpython3.10.so.1.0 python(abi) = 3.10 rtld(GNU_HASH)
Obsoletes: apbs-libs < 0:3.0.0-11 python-apbs < 3.0.0-14.fc36
Processing files: apbs-debugsource-3.0.0-14.fc36.armv7hl
Provides: apbs-debugsource = 3.0.0-14.fc36 apbs-debugsource(armv7hl-32) = 3.0.0-14.fc36
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: apbs-debuginfo-3.0.0-14.fc36.armv7hl
Provides: apbs-debuginfo = 3.0.0-14.fc36 apbs-debuginfo(armv7hl-32) = 3.0.0-14.fc36 debuginfo(build-id) = f0190c621197d381b10f027b567ff349ddefdc2d
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: apbs-debugsource(armv7hl-32) = 3.0.0-14.fc36
Processing files: apbs-tools-debuginfo-3.0.0-14.fc36.armv7hl
Provides: apbs-tools-debuginfo = 3.0.0-14.fc36 apbs-tools-debuginfo(armv7hl-32) = 3.0.0-14.fc36 debuginfo(build-id) = 0b50b30cb2e45b59918ee55f91759c8421761d53 debuginfo(build-id) = 22e77885cfac73be0dcd94db2a33e2a27eacd2c3 debuginfo(build-id) = 248c41ae71f3949a19f3af21f018dc159f27bb08 debuginfo(build-id) = 3b789e6c2cd71fe4febdf4ca2946bcd94862a8f1 debuginfo(build-id) = 7096c770cb1575a3c92edcb719317b7d7625d13f debuginfo(build-id) = 72fc58479869bc2b8bbc36a87baea5f1c78990e8 debuginfo(build-id) = 7b8fc3bffc3756bfe18cc851a0fb0d4e58547332 debuginfo(build-id) = 86f9cab6767bfdbb86c85fa89e622d8643f87635 debuginfo(build-id) = 9b575035f065e1125a939d4815bf4fc54e84a263 debuginfo(build-id) = aaaa3bb4006922709559b96b4f94155764463233 debuginfo(build-id) = b1a134b1838c75ce4d7aef22e1a09d32e8bc77e6 debuginfo(build-id) = c0326978d76b300cdebd7286e0a73c5fb3569a06 debuginfo(build-id) = c36944710346be381f432f21449fa9fbf6366815 debuginfo(build-id) = d164497ac6402c2fa43b2e51d35f5c5fd7b71ac8 debuginfo(build-id) = d95842edd456a9ca6d282d9352863573d3496bd1 debuginfo(build-id) = efb39f44277f65e459c48ad94b34b27967dcf5b2 debuginfo(build-id) = f8cad1d7b7eb54dbd2d27dbed4c4777885d2b698
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: apbs-debugsource(armv7hl-32) = 3.0.0-14.fc36
Processing files: apbs-libs-debuginfo-3.0.0-14.fc36.armv7hl
Provides: apbs-libs-debuginfo = 3.0.0-14.fc36 apbs-libs-debuginfo(armv7hl-32) = 3.0.0-14.fc36 debuginfo(build-id) = 18b1962c09d7b6be50621e71bef74502a00fe25d libapbs.so.1-3.0.0-14.fc36.arm.debug
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: apbs-debugsource(armv7hl-32) = 3.0.0-14.fc36
Processing files: python3-apbs-debuginfo-3.0.0-14.fc36.armv7hl
Provides: debuginfo(build-id) = 23c9aa7a70ddc3c1153013ae30da7e4d751507c7 python-apbs-debuginfo = 3.0.0-14.fc36 python3-apbs-debuginfo = 3.0.0-14.fc36 python3-apbs-debuginfo(armv7hl-32) = 3.0.0-14.fc36 python3.10-apbs-debuginfo = 3.0.0-14.fc36
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: apbs-debugsource(armv7hl-32) = 3.0.0-14.fc36
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm
Wrote: /builddir/build/RPMS/apbs-libs-debuginfo-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/python3-apbs-debuginfo-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/python3-apbs-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/apbs-libs-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/apbs-devel-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/apbs-tools-debuginfo-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/apbs-debuginfo-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/apbs-tools-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/apbs-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/apbs-debugsource-3.0.0-14.fc36.armv7hl.rpm
Wrote: /builddir/build/RPMS/apbs-doc-3.0.0-14.fc36.noarch.rpm
Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.W5pA5c
+ umask 022
+ cd /builddir/build/BUILD
+ cd apbs-3.0.0
+ /usr/bin/rm -rf /builddir/build/BUILDROOT/apbs-3.0.0-14.fc36.arm
+ RPM_EC=0
++ jobs -p
+ exit 0
Child return code was: 0