Mock Version: 6.1
Mock Version: 6.1
Mock Version: 6.1
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target aarch64 --nodeps /builddir/build/SPECS/crest.spec'], chrootPath='/var/lib/mock/f43-build-58919187-6569252/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 0xffff90d6d370>timeout=201600uid=1000gid=425user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.d0qvvq9o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.d0qvvq9o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', 'f299f973e74c4d3dac320731c4fa879d', '-D', '/var/lib/mock/f43-build-58919187-6569252/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.d0qvvq9o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target aarch64 --nodeps /builddir/build/SPECS/crest.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', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: aarch64
Building for target aarch64
setting SOURCE_DATE_EPOCH=1738281600
Wrote: /builddir/build/SRPMS/crest-2.12-9.fc43.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target aarch64 --nodeps /builddir/build/SPECS/crest.spec'], chrootPath='/var/lib/mock/f43-build-58919187-6569252/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 0xffff90d6d370>timeout=201600uid=1000gid=425user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.d0qvvq9o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.d0qvvq9o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '047dc5709e35480ab516953ad4245853', '-D', '/var/lib/mock/f43-build-58919187-6569252/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.d0qvvq9o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target aarch64 --nodeps /builddir/build/SPECS/crest.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', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: aarch64
Building for target aarch64
setting SOURCE_DATE_EPOCH=1738281600
Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.pp1quW
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.3ZXXYU
+ umask 022
+ cd /builddir/build/BUILD/crest-2.12-build
+ cd /builddir/build/BUILD/crest-2.12-build
+ rm -rf crest-2.12
+ /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/crest-2.12.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd crest-2.12
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
Patch #0 (397.patch):
+ echo 'Patch #0 (397.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .notrue --fuzz=0
patching file src/symmetry_i.c
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.3M9IYO
+ umask 022
+ cd /builddir/build/BUILD/crest-2.12-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd crest-2.12
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ /usr/bin/meson setup --buildtype=plain --prefix=/usr --libdir=/usr/lib64 --libexecdir=/usr/libexec --bindir=/usr/bin --sbindir=/usr/bin --includedir=/usr/include --datadir=/usr/share --mandir=/usr/share/man --infodir=/usr/share/info --localedir=/usr/share/locale --sysconfdir=/etc --localstatedir=/var --sharedstatedir=/var/lib --wrap-mode=nodownload --auto-features=enabled . redhat-linux-build -Dla_backend=custom -Dcustom_libraries=flexiblas
The Meson build system
Version: 1.7.0
Source dir: /builddir/build/BUILD/crest-2.12-build/crest-2.12
Build dir: /builddir/build/BUILD/crest-2.12-build/crest-2.12/redhat-linux-build
Build type: native build
Project name: crest
Project version: 2.11.0
Fortran compiler for the host machine: gfortran (gcc 15.0.1 "GNU Fortran (GCC) 15.0.1 20250417 (Red Hat 15.0.1-0)")
Fortran linker for the host machine: gfortran ld.bfd 2.44-3
C compiler for the host machine: gcc (gcc 15.0.1 "gcc (GCC) 15.0.1 20250417 (Red Hat 15.0.1-0)")
C linker for the host machine: gcc ld.bfd 2.44-3
Host machine cpu family: aarch64
Host machine cpu: aarch64
Run-time dependency OpenMP found: YES 4.5
Library flexiblas found: YES
Program asciidoctor found: YES (/usr/bin/asciidoctor)
Configuring crest.1 with command
Build targets in project: 1
crest 2.11.0
  User defined options
    auto_features   : enabled
    bindir          : /usr/bin
    buildtype       : plain
    custom_libraries: flexiblas
    datadir         : /usr/share
    includedir      : /usr/include
    infodir         : /usr/share/info
    la_backend      : custom
    libdir          : /usr/lib64
    libexecdir      : /usr/libexec
    localedir       : /usr/share/locale
    localstatedir   : /var
    mandir          : /usr/share/man
    prefix          : /usr
    sbindir         : /usr/bin
    sharedstatedir  : /var/lib
    sysconfdir      : /etc
    wrap_mode       : nodownload
Found ninja-1.12.1 at /usr/bin/ninja
+ /usr/bin/meson compile -C redhat-linux-build -j 12 --verbose
ninja: Entering directory `/builddir/build/BUILD/crest-2.12-build/crest-2.12/redhat-linux-build'
[1/89] gcc -Icrest.p -I. -I.. -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -MD -MQ crest.p/src_signal.c.o -MF crest.p/src_signal.c.o.d -o crest.p/src_signal.c.o -c ../src/signal.c
[2/89] /usr/bin/meson --internal depscan  crest.p/depscan.dd crest.p/crest.dat
[3/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_data.f90.o -c ../src/data.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
[4/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_atmasses.f90.o -c ../src/atmasses.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/atmasses.f90:57:18:
   57 |       integer :: ich
      |                  1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/atmasses.f90:58:19:
   58 |       real(wp) :: scal
      |                   1~~~
Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable]
[5/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_floydwarshall.f90.o -c ../src/floydwarshall.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
[6/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_progressbar.f90.o -c ../src/progressbar.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/progressbar.f90:23:20:
   23 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/progressbar.f90:23:22:
   23 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/progressbar.f90:23:24:
   23 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[7/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_geo.f90.o -c ../src/geo.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/geo.f90:138:18:
  138 |      real(wp) :: theta
      |                  1~~~~
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/geo.f90:189:18:
  189 |      real(wp) :: theta
      |                  1~~~~
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/geo.f90:242:18:
  242 |      real(wp) :: theta
      |                  1~~~~
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
[8/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_readl.f.o -c ../src/readl.f
../src/readl.f:107:72:
  107 |    55 IF(N.EQ.ND .OR. N.EQ.NE)GOTO 57
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 55 at (1)
../src/readl.f:119:5:
  119 |    61 CONTINUE
      |     1
Warning: Label 61 at (1) defined but not used [-Wunused-label]
[9/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_readl2.f.o -c ../src/readl2.f
../src/readl2.f:70:72:
   70 |          strings(cs)=str
      |                                                                        1
Warning: CHARACTER expression will be truncated in assignment (80/128) at (1) [-Wcharacter-truncation]
../src/readl2.f:84:72:
   84 |          strings(cs)=str
      |                                                                        1
Warning: CHARACTER expression will be truncated in assignment (80/128) at (1) [-Wcharacter-truncation]
../src/readl2.f:101:15:
  101 |       integer i,e,ty
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
[10/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_neighbor.f.o -c ../src/neighbor.f
../src/neighbor.f:203:45:
  203 |       real*8 dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                                             1~
Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable]
../src/neighbor.f:200:20:
  200 |       character*40 atmp
      |                    1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/neighbor.f:203:25:
  203 |       real*8 dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                         1~~~
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/neighbor.f:201:31:
  201 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                               1~
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/neighbor.f:201:34:
  201 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                                  1~
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/neighbor.f:201:37:
  201 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                                     1~
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/neighbor.f:201:40:
  201 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                                        1~
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/neighbor.f:201:28:
  201 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                            1~
Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable]
../src/neighbor.f:203:33:
  203 |       real*8 dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                                 1~
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/neighbor.f:203:30:
  203 |       real*8 dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                              1~
Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable]
../src/neighbor.f:268:45:
  268 |       real*8 dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                                             1~
Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable]
../src/neighbor.f:265:20:
  265 |       character*40 atmp
      |                    1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/neighbor.f:268:25:
  268 |       real*8 dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                         1~~~
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/neighbor.f:266:31:
  266 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                               1~
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/neighbor.f:266:34:
  266 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                                  1~
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/neighbor.f:266:37:
  266 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                                     1~
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/neighbor.f:266:40:
  266 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                                        1~
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/neighbor.f:266:28:
  266 |       integer iat,i,j,k,nn,ni,ii,jj,kk,ll
      |                            1~
Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable]
../src/neighbor.f:268:33:
  268 |       real*8 dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                                 1~
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/neighbor.f:268:30:
  268 |       real*8 dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                              1~
Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable]
[11/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_rotcompare.f90.o -c ../src/rotcompare.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/rotcompare.f90:68:26:
   68 |       real*8 rot(3,nall),r,thr
      |                          1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/rotcompare.f90:82:26:
   82 |       real*8 rot(3,nall),r,thr
      |                          1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/rotcompare.f90:97:18:
   97 |       logical :: r1,r2,r3
      |                  1~
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/rotcompare.f90:97:21:
   97 |       logical :: r1,r2,r3
      |                     1~
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/rotcompare.f90:97:24:
   97 |       logical :: r1,r2,r3
      |                        1~
Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable]
[12/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_quicksort.f90.o -c ../src/quicksort.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/quicksort.f90:25:33:
   25 |       integer :: n,arr(n),i,j,k,e,m
      |                                 1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/quicksort.f90:85:33:
   85 |       integer :: n,arr(n),i,j,k,e,m
      |                                 1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/quicksort.f90:172:17:
  172 |   integer i, j, ii
      |                 1~
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/quicksort.f90:226:10:
  226 |   real*8 t
      |          1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
[13/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_marqfit.f.o -c ../src/marqfit.f
../src/marqfit.f:226:72:
  226 |             DO 20 I=K,N
      |                                                                        1
Warning: Fortran 2018 deleted feature: Shared DO termination label 20 at (1)
../src/marqfit.f:238:72:
  238 |          IF (J-K) 50,50,30
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:245:72:
  245 |    40    A(JI)=HOLD
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1)
../src/marqfit.f:250:72:
  250 |          IF (I-K) 80,80,60
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:257:72:
  257 |    70    A(JI)=HOLD
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 70 at (1)
../src/marqfit.f:262:72:
  262 |    80    IF (BIGA) 100,90,100
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:266:72:
  266 |             IF (I-K) 110,120,110
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:275:72:
  275 |             DO 150 J=1,N
      |                                                                        1
Warning: Fortran 2018 deleted feature: Shared DO termination label 150 at (1)
../src/marqfit.f:277:72:
  277 |                IF (I-K) 130,150,130
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:278:72:
  278 |   130          IF (J-K) 140,150,140
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:288:72:
  288 |             IF (J-K) 160,170,160
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:306:72:
  306 |       IF (K) 260,260,200
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:308:72:
  308 |       IF (I-K) 230,230,210
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:316:72:
  316 |   220 A(JI)=HOLD
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 220 at (1)
../src/marqfit.f:318:72:
  318 |       IF (J-K) 190,190,240
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/marqfit.f:325:72:
  325 |   250 A(JI) =HOLD
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 250 at (1)
../src/marqfit.f:228:5:
  228 |    10          IF (ABS(BIGA).LT.ABS(A(IJ)))THEN
      |     1
Warning: Label 10 at (1) defined but not used [-Wunused-label]
[14/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_sigterm.f90.o -c ../src/sigterm.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
[15/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_msmod.f90.o -c ../src/msmod.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
[16/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_select.f90.o -c ../src/select.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/select.f90:90:36:
   90 |       real*8 xyz(3,nat),r,tr,xi(3),cntmp,cn(nat),bond(nat,nat)
      |                                    1~~~~
Warning: Unused variable ‘cntmp’ declared at (1) [-Wunused-variable]
../src/select.f90:90:25:
   90 |       real*8 xyz(3,nat),r,tr,xi(3),cntmp,cn(nat),bond(nat,nat)
      |                         1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/select.f90:114:35:
  114 |       integer iz(natoms),natoms,i,j,k1
      |                                   1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/select.f90:160:38:
  160 |       real*8 xyz(3,*),cn(*),rcov(94),input
      |                                      1~~~~
Warning: Unused variable ‘input’ declared at (1) [-Wunused-variable]
../src/select.f90:159:30:
  159 |       integer iz(*),natoms,i,max_elem
      |                              1~~~~~~~
Warning: Unused variable ‘max_elem’ declared at (1) [-Wunused-variable]
../src/select.f90:200:38:
  200 |       real*8 xyz(3,*),cn(*),rcov(94),input
      |                                      1~~~~
Warning: Unused variable ‘input’ declared at (1) [-Wunused-variable]
../src/select.f90:199:30:
  199 |       integer iz(*),natoms,i,max_elem
      |                              1~~~~~~~
Warning: Unused variable ‘max_elem’ declared at (1) [-Wunused-variable]
../src/select.f90:233:20:
  233 |       integer :: i,j,k1
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/select.f90:282:41:
  282 |       real*8 :: xyz(3,*),cn(*),rcov(94),input
      |                                         1~~~~
Warning: Unused variable ‘input’ declared at (1) [-Wunused-variable]
../src/select.f90:281:33:
  281 |       integer :: iz(*),natoms,i,max_elem
      |                                 1~~~~~~~
Warning: Unused variable ‘max_elem’ declared at (1) [-Wunused-variable]
[17/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_filemod.f90.o -c ../src/filemod.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/filemod.f90:331:15:
  331 |    integer :: cursor
      |               1~~~~~
Warning: Unused variable ‘cursor’ declared at (1) [-Wunused-variable]
../src/filemod.f90: In function ‘__filemod_MOD_grep_all_lines’:
../src/filemod.f90:286:21: warning: ‘pos.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized]
  286 |    grep_all_lines=pos
      |                     ^
../src/filemod.f90:264:27: note: ‘pos.dim[0].ubound’ was declared here
  264 |    integer,allocatable :: pos(:),tmp(:)
      |                           ^~~~~~
../src/filemod.f90: In function ‘__filemod_MOD_grep_first_appearance’:
../src/filemod.f90:242: warning: ‘__result_grep_first_appearanc’ may be used uninitialized [-Wmaybe-uninitialized]
  242 | function grep_first_appearance(self,str)
[18/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_symmetry2.f90.o -c ../src/symmetry2.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/symmetry2.f90:92:27:
   92 |    integer,allocatable :: ictdum(:,:)
      |                           1~~~~~~~~~~
Warning: Unused variable ‘ictdum’ declared at (1) [-Wunused-variable]
[19/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_syscheck.f90.o -c ../src/syscheck.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/syscheck.f90:35:15:
   35 |    logical :: ex
      |               1~
Warning: Unused PRIVATE module variable ‘ex’ declared at (1) [-Wunused-value]
../src/syscheck.f90:34:15:
   34 |    integer :: i
      |               1
Warning: Unused PRIVATE module variable ‘i’ declared at (1) [-Wunused-value]
../src/syscheck.f90:110:27:
  110 |     character(len=512) :: path
      |                           1~~~
Warning: Unused variable ‘path’ declared at (1) [-Wunused-variable]
../src/syscheck.f90:109:22:
  109 |     integer :: rcode,r
      |                      1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
[20/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_spline.f90.o -c ../src/spline.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/spline.f90:135:24:
  135 |   integer ( kind = 4 ) info
      |                        1~~~
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
[21/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_axis_module.f90.o -c ../src/axis_module.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/axis_module.f90:1004:2:
 1004 | 50            jk = jk + k
      |  1
Warning: Label 50 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:996:2:
  996 | 40          k = k + 1
      |  1
Warning: Label 40 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:975:2:
  975 | 20      do k = 1,l
      |  1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:919:2:
  919 | 50  return
      |  1
Warning: Label 50 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:850:3:
  850 | 140 return
      |   1
Warning: Label 140 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:847:3:
  847 | 110   d(i) = p
      |   1
Warning: Label 110 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:846:3:
  846 | 100   i = 1
      |   1
Warning: Label 100 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:833:2:
  833 | 80    p = d(l) + f
      |  1
Warning: Label 80 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:787:2:
  787 | 50      if (j .eq. 30) then
      |  1
Warning: Label 50 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:786:2:
  786 | 40      if (m .eq. l) exit JLOOP !go to 80
      |  1
Warning: Label 40 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:779:2:
  779 | 20    do m = l,n
      |  1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:764:2:
  764 | 10    e2(i - 1) = e2(i)
      |  1
Warning: Label 10 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:679:2:
  679 | 70        p = c * d(i) - s * g
      |  1
Warning: Label 70 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:652:2:
  652 | 50        d(i) = d(i) - h
      |  1
Warning: Label 50 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:638:2:
  638 | 40      if (j .eq. 30) then
      |  1
Warning: Label 40 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:637:2:
  637 | 30      if (m .eq. l) exit JLOOP !go to 100
      |  1
Warning: Label 30 at (1) defined but not used [-Wunused-label]
../src/axis_module.f90:952:34:
  952 |   subroutine tred3(n,nv,a,d,e,e2,eps,eta)
      |                                  1~~
Warning: Unused dummy argument ‘eps’ at (1) [-Wunused-dummy-argument]
../src/axis_module.f90:952:38:
  952 |   subroutine tred3(n,nv,a,d,e,e2,eps,eta)
      |                                      1~~
Warning: Unused dummy argument ‘eta’ at (1) [-Wunused-dummy-argument]
../src/axis_module.f90:952:22:
  952 |   subroutine tred3(n,nv,a,d,e,e2,eps,eta)
      |                      1~
Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument]
../src/axis_module.f90:886:26:
  886 |   subroutine trbak3(nm,n,nv,a,m,z)
      |                          1~
Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument]
../src/axis_module.f90:757:20:
  757 |     integer :: i,j,k,l,l1,m,ii,mml
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:504:16:
  504 |     logical :: first
      |                1~~~~
Warning: Unused variable ‘first’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:305:16:
  305 |     integer :: i,j,k
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:305:18:
  305 |     integer :: i,j,k
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:305:20:
  305 |     integer :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:303:17:
  303 |     real(wp) :: xsum
      |                 1~~~
Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:201:24:
  201 |     real(wp) :: rot(3),avmom,eig(3)
      |                        1~~~~
Warning: Unused variable ‘avmom’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:202:17:
  202 |     real(wp) :: dum(3,3),eps
      |                 1~~~~~~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:103:20:
  103 |     integer :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:102:17:
  102 |     real(wp) :: sumw,sumwx,sumwy,sumwz,atmass
      |                 1~~~
Warning: Unused variable ‘sumw’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:102:22:
  102 |     real(wp) :: sumw,sumwx,sumwy,sumwz,atmass
      |                      1~~~~
Warning: Unused variable ‘sumwx’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:102:28:
  102 |     real(wp) :: sumw,sumwx,sumwy,sumwz,atmass
      |                            1~~~~
Warning: Unused variable ‘sumwy’ declared at (1) [-Wunused-variable]
../src/axis_module.f90:102:34:
  102 |     real(wp) :: sumw,sumwx,sumwy,sumwz,atmass
      |                                  1~~~~
Warning: Unused variable ‘sumwz’ declared at (1) [-Wunused-variable]
../src/axis_module.f90: In function ‘__axis_module_MOD_tqlrat’:
../src/axis_module.f90:780:12: warning: ‘c’ may be used uninitialized [-Wmaybe-uninitialized]
  780 |         if (e2(m) .le. c) exit !go to 40
      |            ^
../src/axis_module.f90:758:23: note: ‘c’ was declared here
  758 |     real(wp) :: f,b,h,c,r,s,g,p
      |                       ^
[22/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_ls_rmsd.f90.o -c ../src/ls_rmsd.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ls_rmsd.f90:96:34:
   96 |     real(dp),dimension(4,4) :: S,dS
      |                                  1~
Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable]
../src/ls_rmsd.f90:94:38:
   94 |     real(dp) :: x_norm,y_norm,lambda,y1,y2,y3
      |                                      1~
Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable]
../src/ls_rmsd.f90:94:41:
   94 |     real(dp) :: x_norm,y_norm,lambda,y1,y2,y3
      |                                         1~
Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable]
../src/ls_rmsd.f90:94:44:
   94 |     real(dp) :: x_norm,y_norm,lambda,y1,y2,y3
      |                                            1~
Warning: Unused variable ‘y3’ declared at (1) [-Wunused-variable]
[23/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_prmat.f.o -c ../src/prmat.f
../src/prmat.f:120:72:
  120 |       IF(M)10,10,80
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/prmat.f:139:72:
  139 |    20 K2=K1+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/prmat.f:152:72:
  152 |    30 K2=K2+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1)
../src/prmat.f:153:72:
  153 |    40 KD=KD+NKPB
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1)
../src/prmat.f:165:72:
  165 |    60 K2=K1+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1)
../src/prmat.f:178:72:
  178 |       DO 90 J=1,N
      |                                                                        1
Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1)
../src/prmat.f:181:72:
  181 |    90 I2=I1+(NKPB-1)*N
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1)
../src/prmat.f:211:72:
  211 |       IF(M)10,10,80
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/prmat.f:230:72:
  230 |    20 K2=K1+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/prmat.f:243:72:
  243 |    30 K2=K2+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1)
../src/prmat.f:244:72:
  244 |    40 KD=KD+NKPB
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1)
../src/prmat.f:256:72:
  256 |    60 K2=K1+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1)
../src/prmat.f:269:72:
  269 |       DO 90 J=1,N
      |                                                                        1
Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1)
../src/prmat.f:272:72:
  272 |    90 I2=I1+(NKPB-1)*N
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1)
../src/prmat.f:303:72:
  303 |       IF(M)10,10,80
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/prmat.f:322:72:
  322 |    20 K2=K1+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/prmat.f:335:72:
  335 |    30 K2=K2+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1)
../src/prmat.f:336:72:
  336 |    40 KD=KD+NKPB
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1)
../src/prmat.f:348:72:
  348 |    60 K2=K1+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1)
../src/prmat.f:361:72:
  361 |       DO 90 J=1,N
      |                                                                        1
Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1)
../src/prmat.f:364:72:
  364 |    90 I2=I1+(NKPB-1)*N
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1)
../src/prmat.f:394:72:
  394 |       IF(M)10,10,80
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/prmat.f:413:72:
  413 |    20 K2=K1+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/prmat.f:426:72:
  426 |    30 K2=K2+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1)
../src/prmat.f:427:72:
  427 |    40 KD=KD+NKPB
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1)
../src/prmat.f:439:72:
  439 |    60 K2=K1+KK
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1)
../src/prmat.f:452:72:
  452 |       DO 90 J=1,N
      |                                                                        1
Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1)
../src/prmat.f:455:72:
  455 |    90 I2=I1+(NKPB-1)*N
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1)
../src/prmat.f:106:4:
  106 |  100  FORMAT('atoms : ',2X,6(4X,I4,2X))
      |    1
Warning: Label 100 at (1) defined but not used [-Wunused-label]
../src/prmat.f:497:4:
  497 |  100  FORMAT(' #     : ',2X,6(4X,I4,2X))
      |    1
Warning: Label 100 at (1) defined but not used [-Wunused-label]
../src/prmat.f:520:4:
  520 |  100  FORMAT(' #     : ',2X,6(4X,I4,2X))
      |    1
Warning: Label 100 at (1) defined but not used [-Wunused-label]
[24/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_thermo.f90.o -c ../src/thermo.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/thermo.f90:502:27:
  502 |    real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom
      |                           1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/thermo.f90:502:21:
  502 |    real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom
      |                     1~~~~
Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable]
../src/thermo.f90:211:69:
  211 | subroutine oldthermo(a,b,c,avmom,linear,atom,sym,molmass,vibs,nvibs,escf, &
      |                                                                     1~~~
Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument]
../src/thermo.f90:259:39:
  259 |    real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot
      |                                       1~~~~
Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable]
../src/thermo.f90:82:26:
   82 |    real(wp) :: ewj,omega,e,xxmom,xmom,mu
      |                          1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/thermo.f90:45:33:
   45 |       &              vibs,nvibs,escf,T,sthr_rcm,et,ht,g,ts,zp,pr)
      |                                 1~~~
Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument]
../src/thermo.f90:79:39:
   79 |    real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot
      |                                       1~~~~
Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable]
../src/thermo.f90:83:23:
   83 |    real(wp) :: wofrot,RT
      |                       1~
Warning: Unused variable ‘rt’ declared at (1) [-Wunused-variable]
../src/thermo.f90:82:34:
   82 |    real(wp) :: ewj,omega,e,xxmom,xmom,mu
      |                                  1~~~
Warning: Unused variable ‘xmom’ declared at (1) [-Wunused-variable]
../src/thermo.f90:82:28:
   82 |    real(wp) :: ewj,omega,e,xxmom,xmom,mu
      |                            1~~~~
Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable]
[25/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_setdg.f90.o -c ../src/setdg.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/setdg.f90:564:18:
  564 |       integer :: i,j,k,nn
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/setdg.f90:564:20:
  564 |       integer :: i,j,k,nn
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/setdg.f90:564:22:
  564 |       integer :: i,j,k,nn
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/setdg.f90:564:24:
  564 |       integer :: i,j,k,nn
      |                        1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/setdg.f90:504:18:
  504 |       integer :: i,j,k,nn
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/setdg.f90:504:20:
  504 |       integer :: i,j,k,nn
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/setdg.f90:504:22:
  504 |       integer :: i,j,k,nn
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/setdg.f90:504:24:
  504 |       integer :: i,j,k,nn
      |                        1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/setdg.f90:453:18:
  453 |       integer :: i,j,k,nn
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/setdg.f90:453:20:
  453 |       integer :: i,j,k,nn
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/setdg.f90:453:22:
  453 |       integer :: i,j,k,nn
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/setdg.f90:453:24:
  453 |       integer :: i,j,k,nn
      |                        1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/setdg.f90:387:18:
  387 |       integer :: i,j,k,nn
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/setdg.f90:387:20:
  387 |       integer :: i,j,k,nn
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/setdg.f90:387:22:
  387 |       integer :: i,j,k,nn
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/setdg.f90:387:24:
  387 |       integer :: i,j,k,nn
      |                        1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/setdg.f90:319:18:
  319 |       integer :: i,j,k,nn
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/setdg.f90:319:20:
  319 |       integer :: i,j,k,nn
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/setdg.f90:319:22:
  319 |       integer :: i,j,k,nn
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/setdg.f90:319:24:
  319 |       integer :: i,j,k,nn
      |                        1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/setdg.f90:266:18:
  266 |       integer :: i,j,k,nn
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/setdg.f90:266:20:
  266 |       integer :: i,j,k,nn
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/setdg.f90:266:22:
  266 |       integer :: i,j,k,nn
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/setdg.f90:266:24:
  266 |       integer :: i,j,k,nn
      |                        1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/setdg.f90:195:18:
  195 |       integer :: i,j,k,nn
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/setdg.f90:195:20:
  195 |       integer :: i,j,k,nn
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/setdg.f90:195:22:
  195 |       integer :: i,j,k,nn
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/setdg.f90:195:24:
  195 |       integer :: i,j,k,nn
      |                        1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/setdg.f90:124:18:
  124 |       integer :: i,j,k,nn
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/setdg.f90:124:20:
  124 |       integer :: i,j,k,nn
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/setdg.f90:124:22:
  124 |       integer :: i,j,k,nn
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/setdg.f90:124:24:
  124 |       integer :: i,j,k,nn
      |                        1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/setdg.f90:54:18:
   54 |       integer :: i,j,k,nn
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/setdg.f90:54:20:
   54 |       integer :: i,j,k,nn
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/setdg.f90:54:22:
   54 |       integer :: i,j,k,nn
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/setdg.f90:54:24:
   54 |       integer :: i,j,k,nn
      |                        1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/setdg.f90:23:31:
   23 |         character(len=256) :: dummy
      |                               1~~~~
Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable]
[26/89] gcc -Icrest.p -I. -I.. -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -MD -MQ crest.p/src_symmetry_i.c.o -MF crest.p/src_symmetry_i.c.o.d -o crest.p/src_symmetry_i.c.o -c ../src/symmetry_i.c
../src/symmetry_i.c: In function ‘optimize_transformation_params’:
../src/symmetry_i.c:553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  553 |     if( cycle >= MaxOptCycles )
      |     ^~
../src/symmetry_i.c:555:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  555 |         printf( "        optimization completed after %d cycles with f = %g\n", cycle, f ) ;
      |         ^~~~~~
../src/symmetry_i.c: In function ‘init_axis_parameters’:
../src/symmetry_i.c:1054:12: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 1054 |     else if( axis->direction[1] <= 0 )
      |            ^
../src/symmetry_i.c:1051:3: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 1051 | if( axis->direction[0] <= 0 )
      |   ^
../src/symmetry_i.c: In function ‘find_improper_axes’:
../src/symmetry_i.c:1408:1: warning: multi-line comment [-Wcomment]
 1408 | //#pragma omp parallel for private(i,j,k, axis) \
      | ^
../src/symmetry_i.c: In function ‘identify_point_group’:
../src/symmetry_i.c:1691:24: warning: unused variable ‘j’ [-Wunused-variable]
 1691 |         int            j ;
      |                        ^
[27/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_shortpath.f90.o -c ../src/shortpath.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/shortpath.f90:90:2:
   90 |         assigned = .true.
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:91:2:
   91 |         do while (maxval(rmaxab, mask=assigned) == huge(1.0d0))
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:92:2:
   92 |         nsystem = nsystem + 1
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:93:2:
   93 |         maxdistatoms= maxloc(rmaxab, mask=assigned)
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:94:2:
   94 |         cur_dist = shortest_distance(nspin, maxdistatoms(1), maxdistatoms(2), neigh, magdist, visited, precessor)
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:95:2:
   95 |         nspinsyst(nsystem) = count(visited)
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:96:2:
   96 |             ispinsyst(:,nsystem) = 0
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:97:2:
   97 |             k = 1
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:98:2:
   98 |             do i = 1, nspin
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:99:2:
   99 |                 if (visited(i) .eqv. .true.) then
      |         1       
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:100:2:
  100 |                     ispinsyst(k,nsystem) = i
      |         1       
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:101:2:
  101 |                     assigned(i,:) = .false.
      |         1       
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:102:2:
  102 |                     k = k + 1
      |         1       
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:103:2:
  103 |                 end if
      |         1       
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:104:2:
  104 |             end do ! End Loop over  i from 1 to count(visited)
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
../src/shortpath.f90:105:2:
  105 |         end do
      |         1
Warning: Nonconforming tab character at (1) [-Wtabs]
[28/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_intmodes.f.o -c ../src/intmodes.f
../src/intmodes.f:491:72:
  491 |      2               (XYZ(3,I)-XYZ(3,J))**2)
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1)
../src/intmodes.f:27:29:
   27 |       integer k,j,kl,l,lend,n36
      |                             1~~
Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable]
../src/intmodes.f:26:25:
   26 |       real*8 dit(3*n-6),norm,geo2(3,n)
      |                         1~~~
Warning: Unused variable ‘norm’ declared at (1) [-Wunused-variable]
../src/intmodes.f:87:26:
   87 |       subroutine bzmat(n,at,xyzin,bmat)
      |                          1~
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f:95:22:
   95 |       integer i,k,n3,ia,ii,ic,na(n),nb(n),nc(n),n36,j,kl
      |                      1~
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/intmodes.f:95:28:
   95 |       integer i,k,n3,ia,ii,ic,na(n),nb(n),nc(n),n36,j,kl
      |                            1~
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/intmodes.f:95:25:
   95 |       integer i,k,n3,ia,ii,ic,na(n),nb(n),nc(n),n36,j,kl
      |                         1~
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/intmodes.f:240:15:
  240 |       integer ind(n2,n2),i,j,k,m,molv(n2),nm,ntot,mm,idum(n)
      |               1~~~~~~~~~
Warning: Unused variable ‘ind’ declared at (1) [-Wunused-variable]
../src/intmodes.f:240:28:
  240 |       integer ind(n2,n2),i,j,k,m,molv(n2),nm,ntot,mm,idum(n)
      |                            1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/intmodes.f:240:51:
  240 |       integer ind(n2,n2),i,j,k,m,molv(n2),nm,ntot,mm,idum(n)
      |                                                   1~
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/intmodes.f:240:34:
  240 |       integer ind(n2,n2),i,j,k,m,molv(n2),nm,ntot,mm,idum(n)
      |                                  1~~~~~~~
Warning: Unused variable ‘molv’ declared at (1) [-Wunused-variable]
../src/intmodes.f:232:34:
  232 |       SUBROUTINE cart2zmat(XYZin,molvec,at,nat,N,n2,nmol,
      |                                  1~~~~~
Warning: Unused dummy argument ‘molvec’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f:232:44:
  232 |       SUBROUTINE cart2zmat(XYZin,molvec,at,nat,N,n2,nmol,
      |                                            1~~
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f:241:24:
  241 |       real*8 xyz(3,n2),R,rr(n2),sum3(3),tmp(3,n),one
      |                        1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/intmodes.f:241:26:
  241 |       real*8 xyz(3,n2),R,rr(n2),sum3(3),tmp(3,n),one
      |                          1~~~~~
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
[29/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_classes.f90.o -c ../src/classes.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/classes.f90:734:24:
  734 |    integer :: i,pjob,n,k
      |                        1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/classes.f90:735:27:
  735 |    integer,allocatable :: qdum(:)
      |                           1~~~~~~
Warning: Unused variable ‘qdum’ declared at (1) [-Wunused-variable]
../src/classes.f90: In function ‘__crest_data_MOD_read_charges’:
../src/classes.f90:811:17: warning: ‘io’ may be used uninitialized [-Wmaybe-uninitialized]
  811 |         close(io)
      |                 ^
../src/classes.f90:798:20: note: ‘io’ declared here
  798 |     integer :: ich,io,i
      |                    ^~
[30/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_eval_timer.f90.o -c ../src/eval_timer.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/eval_timer.f90:70:23:
   70 |       integer(dp) ::  t1,ttot1
      |                       1~
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/eval_timer.f90:71:19:
   71 |       real(wp) :: t2,ttot2
      |                   1~
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/eval_timer.f90:26:22:
   26 |       integer(dp) :: days,hours,minutes,seconds
      |                      1~~~
Warning: Unused variable ‘days’ declared at (1) [-Wunused-variable]
../src/eval_timer.f90:44:26:
   44 |       integer(dp) ::  t1,ttot1
      |                          1~~~~
Warning: Unused variable ‘ttot1’ declared at (1) [-Wunused-variable]
../src/eval_timer.f90:45:22:
   45 |       real(wp) :: t2,ttot2
      |                      1~~~~
Warning: Unused variable ‘ttot2’ declared at (1) [-Wunused-variable]
[31/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_iomod.F90.o -c ../src/iomod.F90
../src/iomod.F90:43:29:
   43 |          import c_int, c_char
      |                             1
Warning: ‘c_char’ is already IMPORTed from host scoping unit at (1)
../src/iomod.F90:57:29:
   57 |          import c_int, c_char
      |                             1
Warning: ‘c_char’ is already IMPORTed from host scoping unit at (1)
../src/iomod.F90:23:18:
   23 |       integer :: i,j,k,l,ich,och
      |                  1
Warning: Unused PRIVATE module variable ‘i’ declared at (1) [-Wunused-value]
../src/iomod.F90:23:20:
   23 |       integer :: i,j,k,l,ich,och
      |                    1
Warning: Unused PRIVATE module variable ‘j’ declared at (1) [-Wunused-value]
../src/iomod.F90:23:22:
   23 |       integer :: i,j,k,l,ich,och
      |                      1
Warning: Unused PRIVATE module variable ‘k’ declared at (1) [-Wunused-value]
../src/iomod.F90:23:24:
   23 |       integer :: i,j,k,l,ich,och
      |                        1
Warning: Unused PRIVATE module variable ‘l’ declared at (1) [-Wunused-value]
../src/iomod.F90:623:18:
  623 |       integer :: i,j,k,iost
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/iomod.F90:623:20:
  623 |       integer :: i,j,k,iost
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/iomod.F90:623:22:
  623 |       integer :: i,j,k,iost
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/iomod.F90:412:18:
  412 |       integer :: io
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/iomod.F90:399:18:
  399 |       integer :: io
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/iomod.F90:386:18:
  386 |       integer :: io
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/iomod.F90:355:33:
  355 |       character(len=512) :: tmp,dum
      |                                 1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/iomod.F90:193:18:
  193 |       integer :: io
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
[32/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_zdata.f90.o -c ../src/zdata.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/zdata.f90:770:22:
  770 |       integer :: i,j,k
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/zdata.f90:739:29:
  739 |      logical,allocatable :: taken(:)
      |                             1~~~~~~~
Warning: Unused variable ‘taken’ declared at (1) [-Wunused-variable]
../src/zdata.f90:671:22:
  671 |       integer :: i,j,k,ich,io
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/zdata.f90:434:23:
  434 |    integer :: j,k,l,m,p,q
      |                       1
Warning: Unused variable ‘p’ declared at (1) [-Wunused-variable]
../src/zdata.f90:434:25:
  434 |    integer :: j,k,l,m,p,q
      |                         1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../src/zdata.f90:357:16:
  357 |     integer :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
[33/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_zfunctional.f90.o -c ../src/zfunctional.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/zfunctional.f90:46:16:
   46 |     integer :: i,j,k,l
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/zfunctional.f90:46:18:
   46 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/zfunctional.f90:46:20:
   46 |     integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/zfunctional.f90:46:22:
   46 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/zfunctional.f90:40:22:
   40 | function has_benzene(zmol) result(does)
      |                      1~~~
Warning: Unused dummy argument ‘zmol’ at (1) [-Wunused-dummy-argument]
[34/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_cleanup.f90.o -c ../src/cleanup.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/cleanup.f90:65:28:
   65 |       character(len=80) :: atmp,btmp
      |                            1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/cleanup.f90:65:33:
   65 |       character(len=80) :: atmp,btmp
      |                                 1~~~
Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable]
[35/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_ompmklset.F90.o -c ../src/ompmklset.F90
../src/ompmklset.F90:68:49:
   68 |       write(*,'(''  parallel xTB calls:''1x,i3)'),MAXRUN
      |                                                 1
Warning: Legacy Extension: Comma before i/o item list at (1)
../src/ompmklset.F90:78:28:
   78 | subroutine ompquickset(omp,maxrun)
      |                            1~~~~~
Warning: Unused dummy argument ‘maxrun’ at (1) [-Wunused-dummy-argument]
../src/ompmklset.F90:32:29:
   32 |       character(len=256) :: atmp
      |                             1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:30:29:
   30 |       integer :: omp,maxrun,threads
      |                             1~~~~~~
Warning: Unused variable ‘threads’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:138:29:
  138 |       character(len=256) :: atmp
      |                             1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:137:22:
  137 |       real*8 :: dum1,dum2
      |                      1~~~
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:228:29:
  228 |       character(len=256) :: atmp,val
      |                             1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:227:20:
  227 |       integer :: r,io
      |                    1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:226:24:
  226 |       integer :: nproc,TID
      |                        1~~
Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:263:29:
  263 |       character(len=256) :: atmp,val
      |                             1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:261:24:
  261 |       integer :: nproc,TID
      |                        1~~
Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:284:29:
  284 |       character(len=256) :: atmp,val
      |                             1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:283:18:
  283 |       integer :: r
      |                  1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/ompmklset.F90:284:34:
  284 |       character(len=256) :: atmp,val
      |                                  1~~
Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable]
[36/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_scratch.f90.o -c ../src/scratch.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/scratch.f90:78:18:
   78 |       integer :: io
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
[37/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_trialmd.f90.o -c ../src/trialmd.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/trialmd.f90:220:17:
  220 |      integer :: f,g
      |                 1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:220:19:
  220 |      integer :: f,g
      |                   1
Warning: Unused variable ‘g’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:218:17:
  218 |      real*8  :: hours,minutes,seconds
      |                 1~~~~
Warning: Unused variable ‘hours’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:218:23:
  218 |      real*8  :: hours,minutes,seconds
      |                       1~~~~~~
Warning: Unused variable ‘minutes’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:218:31:
  218 |      real*8  :: hours,minutes,seconds
      |                               1~~~~~~
Warning: Unused variable ‘seconds’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:46:31:
   46 |       integer,allocatable  :: at(:)
      |                               1~~~~
Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:44:51:
   44 |       real(wp),allocatable :: xyz(:,:,:),eread(:),c1(:,:),c2(:,:)
      |                                                   1~~~~~~
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:44:59:
   44 |       real(wp),allocatable :: xyz(:,:,:),eread(:),c1(:,:),c2(:,:)
      |                                                           1~~~~~~
Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:34:19:
   34 |       real(wp) :: dum1,dum2
      |                   1~~~
Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:34:24:
   34 |       real(wp) :: dum1,dum2
      |                        1~~~
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:44:42:
   44 |       real(wp),allocatable :: xyz(:,:,:),eread(:),c1(:,:),c2(:,:)
      |                                          1~~~~~~~
Warning: Unused variable ‘eread’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:36:25:
   36 |       real(wp) :: mRMSD,f_mRMSD
      |                         1~~~~~~
Warning: Unused variable ‘f_mrmsd’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:37:19:
   37 |       real(wp) :: fRMSD,tmtd
      |                   1~~~~
Warning: Unused variable ‘frmsd’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:29:18:
   29 |       integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:31:18:
   31 |       integer :: iz1,iz2,nall,nrmsds
      |                  1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:31:22:
   31 |       integer :: iz1,iz2,nall,nrmsds
      |                      1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:29:20:
   29 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:29:22:
   29 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:29:24:
   29 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:36:19:
   36 |       real(wp) :: mRMSD,f_mRMSD
      |                   1~~~~
Warning: Unused variable ‘mrmsd’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:31:26:
   31 |       integer :: iz1,iz2,nall,nrmsds
      |                          1~~~
Warning: Unused variable ‘nall’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:31:31:
   31 |       integer :: iz1,iz2,nall,nrmsds
      |                               1~~~~~
Warning: Unused variable ‘nrmsds’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:45:31:
   45 |       real(wp),allocatable :: rmsds(:)
      |                               1~~~~~~~
Warning: Unused variable ‘rmsds’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:42:29:
   42 |       character(len=80)  :: solv,pipe
      |                             1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:37:25:
   37 |       real(wp) :: fRMSD,tmtd
      |                         1~~~
Warning: Unused variable ‘tmtd’ declared at (1) [-Wunused-variable]
../src/trialmd.f90:44:31:
   44 |       real(wp),allocatable :: xyz(:,:,:),eread(:),c1(:,:),c2(:,:)
      |                               1~~~~~~~~~
Warning: Unused variable ‘xyz’ declared at (1) [-Wunused-variable]
[38/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_strucreader.f90.o -c ../src/strucreader.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/strucreader.f90:45:25:
   45 |        integer :: i,j,k,l,ich,och,io
      |                         1
Warning: Unused PRIVATE module variable ‘l’ declared at (1) [-Wunused-value]
../src/strucreader.f90:45:31:
   45 |        integer :: i,j,k,l,ich,och,io
      |                               1~~
Warning: Unused PRIVATE module variable ‘och’ declared at (1) [-Wunused-value]
../src/strucreader.f90:1897:16:
 1897 |     integer :: ic, i, io
      |                1~
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:1873:20:
 1873 |     integer :: ic, i, io
      |                    1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:1549:40:
 1549 |       character(len=len_trim(line)) :: dum
      |                                        1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:1197:18:
 1197 |       logical :: conform
      |                  1~~~~~~
Warning: Unused variable ‘conform’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:1193:22:
 1193 |       integer :: nat,i
      |                      1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:1196:18:
 1196 |       integer :: nall
      |                  1~~~
Warning: Unused variable ‘nall’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:1053:27:
 1053 |      character(len=32) :: btmp
      |                           1~~~
Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:1051:17:
 1051 |      integer :: dum
      |                 1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:1050:30:
 1050 |      integer :: ich,io,i,j,k,l
      |                              1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:624:18:
  624 |       logical :: conform
      |                  1~~~~~~
Warning: Unused variable ‘conform’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:560:18:
  560 |       integer :: dum
      |                  1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:561:19:
  561 |       real(wp) :: dum2
      |                   1~~~
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:559:18:
  559 |       integer :: io,ich
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:558:20:
  558 |       integer :: i,j
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:563:27:
  563 |       character(len=6) :: sym
      |                           1~~
Warning: Unused variable ‘sym’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:531:18:
  531 |       integer :: dum
      |                  1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:532:19:
  532 |       real(wp) :: dum2
      |                   1~~~
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:530:18:
  530 |       integer :: io,ich
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:529:20:
  529 |       integer :: i,j
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:533:29:
  533 |       character(len=512) :: line
      |                             1~~~
Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:534:27:
  534 |       character(len=6) :: sym
      |                           1~~
Warning: Unused variable ‘sym’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:503:18:
  503 |       integer :: dum
      |                  1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:504:19:
  504 |       real(wp) :: dum2
      |                   1~~~
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:500:19:
  500 |       real(wp) :: er(nall)
      |                   1~~~~~~~
Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:502:18:
  502 |       integer :: io,ich
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:501:20:
  501 |       integer :: i,j
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:505:29:
  505 |       character(len=512) :: line
      |                             1~~~
Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:506:27:
  506 |       character(len=6) :: sym
      |                           1~~
Warning: Unused variable ‘sym’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:328:19:
  328 |       real(wp) :: dum2
      |                   1~~~
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:219:18:
  219 |       logical :: conform
      |                  1~~~~~~
Warning: Unused variable ‘conform’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:225:19:
  225 |       real(wp) :: crd(3)
      |                   1~~~~~
Warning: Unused variable ‘crd’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:223:39:
  223 |       character(len=:),allocatable :: dummy
      |                                       1~~~~
Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:221:22:
  221 |       type(coord) :: struc
      |                      1~~~~
Warning: Unused variable ‘struc’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:224:27:
  224 |       character(len=6) :: sym
      |                           1~~
Warning: Unused variable ‘sym’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:222:25:
  222 |       type(ensemble) :: trj
      |                         1~~
Warning: Unused variable ‘trj’ declared at (1) [-Wunused-variable]
../src/strucreader.f90:493:1:
  493 | subroutine wrensemble_conf(fname,nat,nall,at,xyz)
      | ^~~~~~~~~~~~~~~~~~~~~~~~~~
Warning: ‘wrensemble_conf’ defined but not used [-Wunused-function]
../src/strucreader.f90: In function ‘__strucrd_MOD_rdensemble_mixed2’:
../src/strucreader.f90:482:9: warning: ‘io’ may be used uninitialized [-Wmaybe-uninitialized]
  482 |       if(io<0)then
      |         ^
../src/strucreader.f90:461:18: note: ‘io’ declared here
  461 |       integer :: io,ich
      |                  ^~
../src/strucreader.f90: In function ‘__strucrd_MOD_rdensemble_conf1’:
../src/strucreader.f90:351:9: warning: ‘io’ may be used uninitialized [-Wmaybe-uninitialized]
  351 |       if(io<0)then
      |         ^
../src/strucreader.f90:326:18: note: ‘io’ declared here
  326 |       integer :: io,ich
      |                  ^~
../src/strucreader.f90: In function ‘__strucrd_MOD_rdensembleparam’:
../src/strucreader.f90:303:11: warning: ‘natref’ may be used uninitialized [-Wmaybe-uninitialized]
  303 |         if(dum.ne.natref) conformdum =.false.
      |           ^
../src/strucreader.f90:279:18: note: ‘natref’ was declared here
  279 |       integer :: natref
      |                  ^~~~~~
[39/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_xtbmodef.f90.o -c ../src/xtbmodef.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtbmodef.f90:51:23:
   51 |       logical:: l1,l2,fin,run,modefok,mop,update,ex,clo
      |                       1~~
Warning: Unused variable ‘fin’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:48:28:
   48 |       character(len=200):: finfile,runfile
      |                            1~~~~~~
Warning: Unused variable ‘finfile’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:32:20:
   32 |       integer :: i,j,k
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:51:17:
   51 |       logical:: l1,l2,fin,run,modefok,mop,update,ex,clo
      |                 1~
Warning: Unused variable ‘l1’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:51:31:
   51 |       logical:: l1,l2,fin,run,modefok,mop,update,ex,clo
      |                               1~~~~~~
Warning: Unused variable ‘modefok’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:51:39:
   51 |       logical:: l1,l2,fin,run,modefok,mop,update,ex,clo
      |                                       1~~
Warning: Unused variable ‘mop’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:36:18:
   36 |       integer :: OMP_GET_MAX_THREADS
      |                  1~~~~~~~~~~~~~~~~~~
Warning: Unused variable ‘omp_get_max_threads’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:35:38:
   35 |       integer :: OMP_GET_NUM_THREADS,OMP_GET_NUM_PROCS
      |                                      1~~~~~~~~~~~~~~~~
Warning: Unused variable ‘omp_get_num_procs’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:35:18:
   35 |       integer :: OMP_GET_NUM_THREADS,OMP_GET_NUM_PROCS
      |                  1~~~~~~~~~~~~~~~~~~
Warning: Unused variable ‘omp_get_num_threads’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:51:27:
   51 |       logical:: l1,l2,fin,run,modefok,mop,update,ex,clo
      |                           1~~
Warning: Unused variable ‘run’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:48:36:
   48 |       character(len=200):: finfile,runfile
      |                                    1~~~~~~
Warning: Unused variable ‘runfile’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:46:29:
   46 |       character(len=868) :: str2
      |                             1~~~
Warning: Unused variable ‘str2’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:37:21:
   37 |       integer :: io,symlnk,r
      |                     1~~~~~
Warning: Unused variable ‘symlnk’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90:40:20:
   40 |       real(wp)  :: tmp
      |                    1~~
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/xtbmodef.f90: In function ‘xtbmodef_._omp_fn.1’:
../src/xtbmodef.f90:212:59: warning: ‘.gfnver’ may be used uninitialized [-Wmaybe-uninitialized]
  212 |       !$omp task firstprivate( MODE ) private( tmppath,io )
      |                                                           ^
../src/xtbmodef.f90:19:1: note: ‘.gfnver’ was declared here
   19 | subroutine xtbmodef(env,s,e,n,u,l,o,x)
      | ^~~~~~~~~~~~~~~~~~~
../src/xtbmodef.f90:212:59: warning: ‘.progname’ may be used uninitialized [-Wmaybe-uninitialized]
  212 |       !$omp task firstprivate( MODE ) private( tmppath,io )
      |                                                           ^
../src/xtbmodef.f90:19:1: note: ‘.progname’ was declared here
   19 | subroutine xtbmodef(env,s,e,n,u,l,o,x)
      | ^~~~~~~~~~~~~~~~~~~
../src/xtbmodef.f90: In function ‘xtbmodef_._omp_fn.0’:
../src/xtbmodef.f90:208:46: warning: ‘.gfnver’ may be used uninitialized [-Wmaybe-uninitialized]
  208 | !$omp shared( ProgName,gfnver,solv,outf,pipe )
      |                                              ^
../src/xtbmodef.f90:19:1: note: ‘.gfnver’ was declared here
   19 | subroutine xtbmodef(env,s,e,n,u,l,o,x)
      | ^~~~~~~~~~~~~~~~~~~
../src/xtbmodef.f90:208:46: warning: ‘.progname’ may be used uninitialized [-Wmaybe-uninitialized]
  208 | !$omp shared( ProgName,gfnver,solv,outf,pipe )
      |                                              ^
../src/xtbmodef.f90:19:1: note: ‘.progname’ was declared here
   19 | subroutine xtbmodef(env,s,e,n,u,l,o,x)
      | ^~~~~~~~~~~~~~~~~~~
[40/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_compress.f90.o -c ../src/compress.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
[41/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_io.f.o -c ../src/io.f
../src/io.f:254:72:
  254 |          strings(cs)=stmp
      |                                                                        1
Warning: CHARACTER expression will be truncated in assignment (10/80) at (1) [-Wcharacter-truncation]
../src/io.f:456:18:
  456 |       logical :: bool
      |                  1~~~
Warning: Unused variable ‘bool’ declared at (1) [-Wunused-variable]
../src/io.f:239:17:
  239 |       real*8 :: num
      |                 1~~
Warning: Unused variable ‘num’ declared at (1) [-Wunused-variable]
../src/io.f:240:33:
  240 |       character(len=80) :: stmp,str
      |                                 1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/io.f:242:20:
  242 |       integer :: i,ty,cs,cf
      |                    1~
Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable]
../src/io.f:277:20:
  277 |       integer :: i,j,k,nat
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/io.f:277:22:
  277 |       integer :: i,j,k,nat
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/io.f:348:20:
  348 |       integer :: i,j,k,nat
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/io.f:348:22:
  348 |       integer :: i,j,k,nat
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/io.f:480:18:
  480 |       logical :: bool
      |                  1~~~
Warning: Unused variable ‘bool’ declared at (1) [-Wunused-variable]
../src/io.f:486:28:
  486 |       integer :: io,ich,cs,cf
      |                            1~
Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable]
../src/io.f:486:25:
  486 |       integer :: io,ich,cs,cf
      |                         1~
Warning: Unused variable ‘cs’ declared at (1) [-Wunused-variable]
../src/io.f:483:28:
  483 |       character(len=80) :: strings(3)
      |                            1~~~~~~~~~
Warning: Unused variable ‘strings’ declared at (1) [-Wunused-variable]
[42/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_crest_main.f90.o -c ../src/crest_main.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/crest_main.f90:40:18:
   40 |       integer :: io
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/crest_main.f90:39:22:
   39 |       integer :: i,j,k,l,args
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/crest_main.f90:43:29:
   43 |       character(len=512) :: str,thisdir
      |                             1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
[43/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_qcg_volume.f90.o -c ../src/qcg/volume.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/qcg/volume.f90:561:18:
  561 |       x = circles(int_parts(i, 1), 1)
      |                  1
Warning: Legacy Extension: REAL array index at (1)
../src/qcg/volume.f90:562:18:
  562 |       y = circles(int_parts(i, 1), 2)
      |                  1
Warning: Legacy Extension: REAL array index at (1)
../src/qcg/volume.f90:563:18:
  563 |       z = circles(int_parts(i, 1), 3)
      |                  1
Warning: Legacy Extension: REAL array index at (1)
[44/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_confscript1.f90.o -c ../src/confscript1.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/confscript1.f90:260:18:
  260 |       logical :: cgf(6)
      |                  1~~~~~
Warning: Unused variable ‘cgf’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:253:19:
  253 |       real(wp) :: ewin
      |                   1~~~
Warning: Unused variable ‘ewin’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:258:18:
  258 |       logical :: ex
      |                  1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:255:28:
  255 |       character(len=80) :: str
      |                            1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:259:19:
  259 |       real(wp) :: thresholds(8)
      |                   1~~~~~~~~~~~~
Warning: Unused variable ‘thresholds’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:206:25:
  206 |       real(wp) :: level,ewin,time
      |                         1~~~
Warning: Unused variable ‘ewin’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:205:18:
  205 |       integer :: idump,mdmode,temps,snaps
      |                  1~~~~
Warning: Unused variable ‘idump’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:206:19:
  206 |       real(wp) :: level,ewin,time
      |                   1~~~~
Warning: Unused variable ‘level’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:205:24:
  205 |       integer :: idump,mdmode,temps,snaps
      |                        1~~~~~
Warning: Unused variable ‘mdmode’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:205:37:
  205 |       integer :: idump,mdmode,temps,snaps
      |                                     1~~~~
Warning: Unused variable ‘snaps’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:205:31:
  205 |       integer :: idump,mdmode,temps,snaps
      |                               1~~~~
Warning: Unused variable ‘temps’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:137:45:
  137 |       integer start_mode,end_mode,end_model,i
      |                                             1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:127:22:
  127 | subroutine modef(env,nmodes,better)
      |                      1~~~~~
Warning: Unused dummy argument ‘nmodes’ at (1) [-Wunused-dummy-argument]
../src/confscript1.f90:312:33:
  312 |       character(len=512) :: str,dg,atmp
      |                                 1~
Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:313:29:
  313 |       character(len=64)  :: dum
      |                             1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:311:18:
  311 |       integer :: i,iost,ich
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:307:18:
  307 |       integer :: icount,nmodes
      |                  1~~~~~
Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:309:17:
  309 |       real*8 :: level
      |                 1~~~~
Warning: Unused variable ‘level’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:308:18:
  308 |       integer :: mdmode,io
      |                  1~~~~~
Warning: Unused variable ‘mdmode’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:298:22:
  298 | subroutine ohess(env,nmodes)
      |                      1~~~~~
Warning: Unused dummy argument ‘nmodes’ at (1) [-Wunused-dummy-argument]
../src/confscript1.f90:316:27:
  316 |       character(len=80):: optl
      |                           1~~~
Warning: Unused variable ‘optl’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:33:18:
   33 |       integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:35:29:
   35 |       character(len=256) :: infile
      |                             1~~~~~
Warning: Unused variable ‘infile’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:33:20:
   33 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:33:22:
   33 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript1.f90:33:24:
   33 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[45/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_bondconstraint.f90.o -c ../src/bondconstraint.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/bondconstraint.f90:147:21:
  147 |      integer :: i,j,k,l,nb
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:147:23:
  147 |      integer :: i,j,k,l,nb
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:332:17:
  332 |      logical :: isTMetal  !this is a function
      |                 1~~~~~~~
Warning: Unused variable ‘istmetal’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:329:21:
  329 |      integer :: i,j,k,l,ich
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:329:23:
  329 |      integer :: i,j,k,l,ich
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:301:17:
  301 |      logical :: isTMetal  !this is a function
      |                 1~~~~~~~
Warning: Unused variable ‘istmetal’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:298:21:
  298 |      integer :: i,j,k,l,ich
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:298:23:
  298 |      integer :: i,j,k,l,ich
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:255:21:
  255 |      integer :: i,j,k,l,ich
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:255:23:
  255 |      integer :: i,j,k,l,ich
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:225:21:
  225 |      integer :: i,j,k,l,ich
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:225:23:
  225 |      integer :: i,j,k,l,ich
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/bondconstraint.f90:91:55:
   91 | subroutine autoHeavyConstraint(filename,forceconstant,wbofile)
      |                                                       1~~~~~~
Warning: Unused dummy argument ‘wbofile’ at (1) [-Wunused-dummy-argument]
../src/bondconstraint.f90:116:58:
  116 | subroutine autoHydrogenConstraint(filename,forceconstant,wbofile)
      |                                                          1~~~~~~
Warning: Unused dummy argument ‘wbofile’ at (1) [-Wunused-dummy-argument]
[46/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_confopt.f90.o -c ../src/confopt.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/confopt.f90:221:43:
  221 |       character(len=256) :: tmpname,oname,ctmp
      |                                           1~~~
Warning: Unused variable ‘ctmp’ declared at (1) [-Wunused-variable]
../src/confopt.f90:221:37:
  221 |       character(len=256) :: tmpname,oname,ctmp
      |                                     1~~~~
Warning: Unused variable ‘oname’ declared at (1) [-Wunused-variable]
../src/confopt.f90:222:50:
  222 |       character(len=512) :: str,thispath,tmppath,optpath
      |                                                  1~~~~~~
Warning: Unused variable ‘optpath’ declared at (1) [-Wunused-variable]
../src/confopt.f90:212:19:
  212 |       real(wp) :: pthr
      |                   1~~~
Warning: Unused variable ‘pthr’ declared at (1) [-Wunused-variable]
../src/confopt.f90:222:29:
  222 |       character(len=512) :: str,thispath,tmppath,optpath
      |                             1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/confopt.f90:222:33:
  222 |       character(len=512) :: str,thispath,tmppath,optpath
      |                                 1~~~~~~~
Warning: Unused variable ‘thispath’ declared at (1) [-Wunused-variable]
../src/confopt.f90:221:29:
  221 |       character(len=256) :: tmpname,oname,ctmp
      |                             1~~~~~~
Warning: Unused variable ‘tmpname’ declared at (1) [-Wunused-variable]
../src/confopt.f90:56:28:
   56 |       character(len=52) :: bar
      |                            1~~
Warning: Unused variable ‘bar’ declared at (1) [-Wunused-variable]
../src/confopt.f90:63:24:
   63 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                        1~~
Warning: Unused variable ‘fin’ declared at (1) [-Wunused-variable]
../src/confopt.f90:47:20:
   47 |       integer :: i,j,k,l,m,n
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confopt.f90:47:22:
   47 |       integer :: i,j,k,l,m,n
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confopt.f90:47:24:
   47 |       integer :: i,j,k,l,m,n
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/confopt.f90:47:26:
   47 |       integer :: i,j,k,l,m,n
      |                          1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/confopt.f90:63:38:
   63 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                                      1~~
Warning: Unused variable ‘mop’ declared at (1) [-Wunused-variable]
../src/confopt.f90:47:28:
   47 |       integer :: i,j,k,l,m,n
      |                            1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/confopt.f90:63:49:
   63 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                                                 1~~~~
Warning: Unused variable ‘notok’ declared at (1) [-Wunused-variable]
../src/confopt.f90:60:22:
   60 |       integer :: TID,nproc,OMP_GET_NUM_THREADS,OMP_GET_THREAD_NUM
      |                      1~~~~
Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable]
../src/confopt.f90:60:28:
   60 |       integer :: TID,nproc,OMP_GET_NUM_THREADS,OMP_GET_THREAD_NUM
      |                            1~~~~~~~~~~~~~~~~~~
Warning: Unused variable ‘omp_get_num_threads’ declared at (1) [-Wunused-variable]
../src/confopt.f90:60:48:
   60 |       integer :: TID,nproc,OMP_GET_NUM_THREADS,OMP_GET_THREAD_NUM
      |                                                1~~~~~~~~~~~~~~~~~
Warning: Unused variable ‘omp_get_thread_num’ declared at (1) [-Wunused-variable]
../src/confopt.f90:51:28:
   51 |       character(len=20) :: optl,pipe
      |                            1~~~
Warning: Unused variable ‘optl’ declared at (1) [-Wunused-variable]
../src/confopt.f90:63:32:
   63 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                                1~~~~
Warning: Unused variable ‘optok’ declared at (1) [-Wunused-variable]
../src/confopt.f90:58:19:
   58 |       real(wp) :: percent
      |                   1~~~~~~
Warning: Unused variable ‘percent’ declared at (1) [-Wunused-variable]
../src/confopt.f90:63:28:
   63 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                            1~~
Warning: Unused variable ‘run’ declared at (1) [-Wunused-variable]
../src/confopt.f90:62:18:
   62 |       logical :: setoptlev,ex
      |                  1~~~~~~~~
Warning: Unused variable ‘setoptlev’ declared at (1) [-Wunused-variable]
../src/confopt.f90:60:18:
   60 |       integer :: TID,nproc,OMP_GET_NUM_THREADS,OMP_GET_THREAD_NUM
      |                  1~~
Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable]
[47/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_confscript2_main.f90.o -c ../src/confscript2_main.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/confscript2_main.f90:363:37:
  363 |   real(wp) :: flex,av1,rfac,nciflex,flextot
      |                                     1~~~~~~
Warning: Unused variable ‘flextot’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:362:31:
  362 |   real(wp) :: total,k,minimum,fRMSD,tmtd,lenthr
      |                               1~~~~
Warning: Unused variable ‘frmsd’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:362:21:
  362 |   real(wp) :: total,k,minimum,fRMSD,tmtd,lenthr
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:361:14:
  361 |   integer :: mdlenfactor
      |              1~~~~~~~~~~
Warning: Unused variable ‘mdlenfactor’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:362:37:
  362 |   real(wp) :: total,k,minimum,fRMSD,tmtd,lenthr
      |                                     1~~~
Warning: Unused variable ‘tmtd’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:36:20:
   36 |   real(wp) :: ethr,ediff,ewin
      |                    1~~~~
Warning: Unused variable ‘ediff’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:36:15:
   36 |   real(wp) :: ethr,ediff,ewin
      |               1~~~
Warning: Unused variable ‘ethr’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:44:14:
   44 |   integer :: fcount
      |              1~~~~~
Warning: Unused variable ‘fcount’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:33:16:
   33 |   integer :: i,j,k,l,m
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:33:20:
   33 |   integer :: i,j,k,l,m
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:35:15:
   35 |   real(wp) :: time
      |               1~~~
Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:651:18:
  651 |   real(wp) :: kk,aa,nn,nsq
      |                  1~
Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:651:15:
  651 |   real(wp) :: kk,aa,nn,nsq
      |               1~
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/confscript2_main.f90:463:16:
  463 |   integer :: i,j,io
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
[48/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_acidbase.f90.o -c ../src/acidbase.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/acidbase.f90:50:22:
   50 |       integer :: i,j,k,l,ich,r
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:50:24:
   50 |       integer :: i,j,k,l,ich,r
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:226:20:
  226 |     integer :: i,j,k,l,n
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:226:22:
  226 |     integer :: i,j,k,l,n
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:372:25:
  372 |       real(wp) :: GA,GB,dG
      |                         1~
Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:375:24:
  375 |       logical :: bhess,ex,ldum
      |                        1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:372:19:
  372 |       real(wp) :: GA,GB,dG
      |                   1~
Warning: Unused variable ‘ga’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:372:22:
  372 |       real(wp) :: GA,GB,dG
      |                      1~
Warning: Unused variable ‘gb’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:374:26:
  374 |       integer :: i,j,k,l,h,ich,io
      |                          1
Warning: Unused variable ‘h’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:374:28:
  374 |       integer :: i,j,k,l,h,ich,io
      |                            1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:374:32:
  374 |       integer :: i,j,k,l,h,ich,io
      |                                1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/acidbase.f90:374:22:
  374 |       integer :: i,j,k,l,h,ich,io
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/acidbase.f90: In function ‘acidbase_’:
../src/acidbase.f90:154:34: warning: ‘ich2’ may be used uninitialized [-Wmaybe-uninitialized]
  154 |       open(unit=ich2,file='.ATOM')
      |                                  ^
../src/acidbase.f90:64:18: note: ‘ich2’ declared here
   64 |       integer :: ich2
      |                  ^~~~
[49/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_qcg_solvtool_misc.f90.o -c ../src/qcg/solvtool_misc.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/qcg/solvtool_misc.f90:109:45:
  109 |          character(len=64)               :: frag1, frag2
      |                                             1~~~~
Warning: Unused variable ‘frag1’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:109:52:
  109 |          character(len=64)               :: frag1, frag2
      |                                                    1~~~~
Warning: Unused variable ‘frag2’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:160:45:
  160 |          character(len=256)              :: atmp
      |                                             1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:161:45:
  161 |          integer                         :: ich,iost
      |                                             1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:161:49:
  161 |          integer                         :: ich,iost
      |                                                 1~~~
Warning: Unused variable ‘iost’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:158:50:
  158 |          character(len=80)               :: pipe,solv
      |                                                  1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:224:40:
  224 |   integer                         :: i,j,k,l,m,n
      |                                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:224:44:
  224 |   integer                         :: i,j,k,l,m,n
      |                                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:224:46:
  224 |   integer                         :: i,j,k,l,m,n
      |                                              1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:224:48:
  224 |   integer                         :: i,j,k,l,m,n
      |                                                1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:228:46:
  228 |   character(len=256)              :: tmpname,oname
      |                                              1~~~~
Warning: Unused variable ‘oname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:226:38:
  226 |   character(len=20)               :: optl,pipe
      |                                      1~~~
Warning: Unused variable ‘optl’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:227:38:
  227 |   character(len=80)               :: solv
      |                                      1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:228:38:
  228 |   character(len=256)              :: tmpname,oname
      |                                      1~~~~~~
Warning: Unused variable ‘tmpname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:301:40:
  301 |   integer                         :: i,j,k,l,m,n
      |                                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:301:44:
  301 |   integer                         :: i,j,k,l,m,n
      |                                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:301:46:
  301 |   integer                         :: i,j,k,l,m,n
      |                                              1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:301:48:
  301 |   integer                         :: i,j,k,l,m,n
      |                                                1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:305:46:
  305 |   character(len=256)              :: tmpname,oname
      |                                              1~~~~
Warning: Unused variable ‘oname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:303:38:
  303 |   character(len=20)               :: optl,pipe
      |                                      1~~~
Warning: Unused variable ‘optl’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:304:38:
  304 |   character(len=80)               :: solv
      |                                      1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:300:38:
  300 |   type(zmolecule)                 :: tmpclus
      |                                      1~~~~~~
Warning: Unused variable ‘tmpclus’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:305:38:
  305 |   character(len=256)              :: tmpname,oname
      |                                      1~~~~~~
Warning: Unused variable ‘tmpname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:374:40:
  374 |   integer                         :: i,j,k,l,m,n,n12
      |                                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:374:44:
  374 |   integer                         :: i,j,k,l,m,n,n12
      |                                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:374:46:
  374 |   integer                         :: i,j,k,l,m,n,n12
      |                                              1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:374:48:
  374 |   integer                         :: i,j,k,l,m,n,n12
      |                                                1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:378:46:
  378 |   character(len=256)              :: tmpname,oname
      |                                              1~~~~
Warning: Unused variable ‘oname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:377:38:
  377 |   character(len=20)               :: optl,pipe
      |                                      1~~~
Warning: Unused variable ‘optl’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:378:38:
  378 |   character(len=256)              :: tmpname,oname
      |                                      1~~~~~~
Warning: Unused variable ‘tmpname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:543:38:
  543 |   character(len=2)                :: flag
      |                                      1~~~
Warning: Unused variable ‘flag’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:536:40:
  536 |   integer                         :: i,j,k,l,m,n,n12
      |                                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:536:44:
  536 |   integer                         :: i,j,k,l,m,n,n12
      |                                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:536:46:
  536 |   integer                         :: i,j,k,l,m,n,n12
      |                                              1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:536:48:
  536 |   integer                         :: i,j,k,l,m,n,n12
      |                                                1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:536:50:
  536 |   integer                         :: i,j,k,l,m,n,n12
      |                                                  1~~
Warning: Unused variable ‘n12’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:539:46:
  539 |   character(len=256)              :: tmpname,oname
      |                                              1~~~~
Warning: Unused variable ‘oname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:538:38:
  538 |   character(len=20)               :: optl,pipe
      |                                      1~~~
Warning: Unused variable ‘optl’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:539:38:
  539 |   character(len=256)              :: tmpname,oname
      |                                      1~~~~~~
Warning: Unused variable ‘tmpname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:630:38:
  630 |   character(len=2)                :: flag
      |                                      1~~~
Warning: Unused variable ‘flag’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:623:40:
  623 |   integer                         :: i,j,k,l,m,n,n12
      |                                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:623:44:
  623 |   integer                         :: i,j,k,l,m,n,n12
      |                                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:623:46:
  623 |   integer                         :: i,j,k,l,m,n,n12
      |                                              1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:623:48:
  623 |   integer                         :: i,j,k,l,m,n,n12
      |                                                1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:623:50:
  623 |   integer                         :: i,j,k,l,m,n,n12
      |                                                  1~~
Warning: Unused variable ‘n12’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:626:46:
  626 |   character(len=256)              :: tmpname,oname
      |                                              1~~~~
Warning: Unused variable ‘oname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:625:38:
  625 |   character(len=20)               :: optl,pipe
      |                                      1~~~
Warning: Unused variable ‘optl’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:626:38:
  626 |   character(len=256)              :: tmpname,oname
      |                                      1~~~~~~
Warning: Unused variable ‘tmpname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:712:16:
  712 |     integer :: get_file_unit
      |                1~~~~~~~~~~~~
Warning: Unused variable ‘get_file_unit’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:757:40:
  757 |   integer                     :: ich,i,j,k,stat,io
      |                                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool_misc.f90:789:22:
  789 | subroutine check_iff(env,neg_E)
      |                      1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
[50/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_confscript3.f90.o -c ../src/confscript3.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/confscript3.f90:92:32:
   92 |       env%ensemblename = newname
      |                                1
Warning: CHARACTER expression will be truncated in assignment (128/256) at (1) [-Wcharacter-truncation]
../src/confscript3.f90:110:24:
  110 |     integer :: ich,i,j,k,ich2,jref
      |                        1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:32:17:
   32 |      integer :: i,j,k,l
      |                 1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:36:17:
   36 |      integer :: iz1,iz2,nall
      |                 1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:32:19:
   32 |      integer :: i,j,k,l
      |                   1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:32:21:
   32 |      integer :: i,j,k,l
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:32:23:
   32 |      integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:34:28:
   34 |      character(len=256) :: str,tmpname,newname
      |                            1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:33:16:
   33 |      real*8 :: time
      |                1~~~
Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:193:17:
  193 |      integer :: i,j,k,l
      |                 1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:196:17:
  196 |      integer :: iz1,iz2,nall,nremain
      |                 1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:193:19:
  193 |      integer :: i,j,k,l
      |                   1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:193:21:
  193 |      integer :: i,j,k,l
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:193:23:
  193 |      integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:194:28:
  194 |      character(len=256) :: str,tmpname,newname
      |                            1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:309:36:
  309 |     character(len=512) :: thispath,filename
      |                                    1~~~~~~~
Warning: Unused variable ‘filename’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:313:21:
  313 |     integer :: io,r,ich
      |                     1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:313:16:
  313 |     integer :: io,r,ich
      |                1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:314:18:
  314 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript3.f90:314:20:
  314 |     integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[51/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_deprotonate.f90.o -c ../src/deprotonate.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/deprotonate.f90:198:18:
  198 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/deprotonate.f90:198:20:
  198 |     integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/deprotonate.f90:198:22:
  198 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/deprotonate.f90:63:18:
   63 |       logical :: ex
      |                  1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/deprotonate.f90:54:22:
   54 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/deprotonate.f90:54:24:
   54 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/deprotonate.f90:61:31:
   61 |       integer :: natp,nallout,nhat,refchrg
      |                               1~~~
Warning: Unused variable ‘nhat’ declared at (1) [-Wunused-variable]
[52/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_constraining.f90.o -c ../src/constraining.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/constraining.f90:602:34:
  602 |   unconstrained = unconstrained*-1
      |                                  1
Warning: Extension: Unary operator following arithmetic operator (use parentheses) at (1)
../src/constraining.f90:295:22:
  295 |   integer :: at1,at2,nat
      |                      1~~
Warning: Unused variable ‘nat’ declared at (1) [-Wunused-variable]
../src/constraining.f90:621:35:
  621 |   character(len=:),allocatable :: atstr
      |                                   1~~~~
Warning: Unused variable ‘atstr’ declared at (1) [-Wunused-variable]
../src/constraining.f90:623:24:
  623 |   character(len=10) :: dum
      |                        1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/constraining.f90:624:18:
  624 |   integer :: ich,i,j,k,l
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constraining.f90:624:20:
  624 |   integer :: ich,i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:624:22:
  624 |   integer :: ich,i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:624:24:
  624 |   integer :: ich,i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/constraining.f90:999:18:
  999 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:893:14:
  893 |   integer :: i,j,k
      |              1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constraining.f90:893:16:
  893 |   integer :: i,j,k
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:893:18:
  893 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:873:16:
  873 |   integer :: i,j,k
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:873:18:
  873 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:34:22:
   34 |   integer :: iost,cs,cf,ich
      |                      1~
Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable]
../src/constraining.f90:34:19:
   34 |   integer :: iost,cs,cf,ich
      |                   1~
Warning: Unused variable ‘cs’ declared at (1) [-Wunused-variable]
../src/constraining.f90:33:14:
   33 |   integer :: i,j,k
      |              1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constraining.f90:33:16:
   33 |   integer :: i,j,k
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:33:18:
   33 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:94:16:
   94 |   integer :: i,j,k
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:94:18:
   94 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:96:19:
   96 |   integer :: setb,sete
      |                   1~~~
Warning: Unused variable ‘sete’ declared at (1) [-Wunused-variable]
../src/constraining.f90:397:14:
  397 |   logical :: ex,follow
      |              1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/constraining.f90:395:18:
  395 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:449:17:
  449 |   logical :: ex,follow,setset
      |                 1~~~~~
Warning: Unused variable ‘follow’ declared at (1) [-Wunused-variable]
../src/constraining.f90:446:16:
  446 |   integer :: i,j,k
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:446:18:
  446 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:447:21:
  447 |   integer :: io,ich,och,lines
      |                     1~~
Warning: Unused variable ‘och’ declared at (1) [-Wunused-variable]
../src/constraining.f90:449:24:
  449 |   logical :: ex,follow,setset
      |                        1~~~~~
Warning: Unused variable ‘setset’ declared at (1) [-Wunused-variable]
../src/constraining.f90:487:24:
  487 |   character(len=40) :: dum
      |                        1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/constraining.f90:486:16:
  486 |   integer :: i,j,k
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:486:18:
  486 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:524:16:
  524 |   integer :: i,j,k
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:524:18:
  524 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:545:16:
  545 |   integer :: i,j,k
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:545:18:
  545 |   integer :: i,j,k
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:566:14:
  566 |   integer :: i,j,k,l
      |              1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constraining.f90:566:16:
  566 |   integer :: i,j,k,l
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:566:18:
  566 |   integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:566:20:
  566 |   integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/constraining.f90:594:19:
  594 |   integer :: ncon,i,j
      |                   1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constraining.f90:594:21:
  594 |   integer :: ncon,i,j
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constraining.f90:740:18:
  740 |   integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constraining.f90:740:20:
  740 |   integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[53/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_dft_propcalc.f90.o -c ../src/dft_propcalc.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/dft_propcalc.f90:505:20:
  505 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/dft_propcalc.f90:505:22:
  505 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/dft_propcalc.f90:505:24:
  505 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/dft_propcalc.f90:548:28:
  548 | subroutine replaceGridsize(env,TMPCONF,g)!,eread)
      |                            1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/dft_propcalc.f90:39:20:
   39 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/dft_propcalc.f90:39:24:
   39 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/dft_propcalc.f90:411:20:
  411 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/dft_propcalc.f90:411:24:
  411 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/dft_propcalc.f90:418:36:
  418 |       character(len=64) :: tmppath,val
      |                                    1~~
Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable]
../src/dft_propcalc.f90:412:18:
  412 |       integer :: vz,io
      |                  1~
Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable]
[54/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_confcross.f90.o -c ../src/confcross.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/confcross.f90:177:25:
  177 |          cint(1:3,1:n,i)=c1(1:3,1:n)
      |                         1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/confcross.f90:201:32:
  201 |                csave(1:3,1:n,l)=coord(1:3,1:n) ! take it
      |                                1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/confcross.f90:41:28:
   41 |       real(wp) :: elow,dum,aa,bb,cc,eref,athr,pi,sd,rthrbohr
      |                            1~
Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable]
../src/confcross.f90:41:42:
   41 |       real(wp) :: elow,dum,aa,bb,cc,eref,athr,pi,sd,rthrbohr
      |                                          1~~~
Warning: Unused variable ‘athr’ declared at (1) [-Wunused-variable]
../src/confcross.f90:56:28:
   56 |       character(len=80) :: atmp,btmp,ctmp,fname,oname
      |                            1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/confcross.f90:41:31:
   41 |       real(wp) :: elow,dum,aa,bb,cc,eref,athr,pi,sd,rthrbohr
      |                               1~
Warning: Unused variable ‘bb’ declared at (1) [-Wunused-variable]
../src/confcross.f90:40:49:
   40 |       real(wp) :: autokcal,cthr,rthr,ewin,de,dr,bthr,ddum,rmsdav
      |                                                 1~~~
Warning: Unused variable ‘bthr’ declared at (1) [-Wunused-variable]
../src/confcross.f90:41:34:
   41 |       real(wp) :: elow,dum,aa,bb,cc,eref,athr,pi,sd,rthrbohr
      |                                  1~
Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable]
../src/confcross.f90:40:54:
   40 |       real(wp) :: autokcal,cthr,rthr,ewin,de,dr,bthr,ddum,rmsdav
      |                                                      1~~~
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/confcross.f90:40:43:
   40 |       real(wp) :: autokcal,cthr,rthr,ewin,de,dr,bthr,ddum,rmsdav
      |                                           1~
Warning: Unused variable ‘de’ declared at (1) [-Wunused-variable]
../src/confcross.f90:60:15:
   60 |       logical debug,error,ldum,ex,fail
      |               1~~~~
Warning: Unused variable ‘debug’ declared at (1) [-Wunused-variable]
../src/confcross.f90:40:46:
   40 |       real(wp) :: autokcal,cthr,rthr,ewin,de,dr,bthr,ddum,rmsdav
      |                                              1~
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/confcross.f90:41:19:
   41 |       real(wp) :: elow,dum,aa,bb,cc,eref,athr,pi,sd,rthrbohr
      |                   1~~~
Warning: Unused variable ‘elow’ declared at (1) [-Wunused-variable]
../src/confcross.f90:41:37:
   41 |       real(wp) :: elow,dum,aa,bb,cc,eref,athr,pi,sd,rthrbohr
      |                                     1~~~
Warning: Unused variable ‘eref’ declared at (1) [-Wunused-variable]
../src/confcross.f90:60:32:
   60 |       logical debug,error,ldum,ex,fail
      |                                1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/confcross.f90:49:35:
   49 |       integer :: i,j,k,l,m,nall,n,ig,ng,m1,ierr,nmax,nl,kl,kk
      |                                   1~
Warning: Unused variable ‘ig’ declared at (1) [-Wunused-variable]
../src/confcross.f90:49:41:
   49 |       integer :: i,j,k,l,m,nall,n,ig,ng,m1,ierr,nmax,nl,kl,kk
      |                                         1~
Warning: Unused variable ‘m1’ declared at (1) [-Wunused-variable]
../src/confcross.f90:49:38:
   49 |       integer :: i,j,k,l,m,nall,n,ig,ng,m1,ierr,nmax,nl,kl,kk
      |                                      1~
Warning: Unused variable ‘ng’ declared at (1) [-Wunused-variable]
../src/confcross.f90:50:30:
   50 |       integer :: maxgen,r,n2,nk,ident,nmaxmax,ii
      |                              1~
Warning: Unused variable ‘nk’ declared at (1) [-Wunused-variable]
../src/confcross.f90:49:54:
   49 |       integer :: i,j,k,l,m,nall,n,ig,ng,m1,ierr,nmax,nl,kl,kk
      |                                                      1~
Warning: Unused variable ‘nl’ declared at (1) [-Wunused-variable]
../src/confcross.f90:52:61:
   52 |       integer TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM, nproc
      |                                                             1~~~~
Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable]
../src/confcross.f90:52:20:
   52 |       integer TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM, nproc
      |                    1~~~~~~~~~~~~~~~~~~
Warning: Unused variable ‘omp_get_num_threads’ declared at (1) [-Wunused-variable]
../src/confcross.f90:52:41:
   52 |       integer TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM, nproc
      |                                         1~~~~~~~~~~~~~~~~~
Warning: Unused variable ‘omp_get_thread_num’ declared at (1) [-Wunused-variable]
../src/confcross.f90:50:25:
   50 |       integer :: maxgen,r,n2,nk,ident,nmaxmax,ii
      |                         1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/confcross.f90:43:19:
   43 |       real(wp) :: thresholds(8)
      |                   1~~~~~~~~~~~~
Warning: Unused variable ‘thresholds’ declared at (1) [-Wunused-variable]
../src/confcross.f90:52:15:
   52 |       integer TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM, nproc
      |               1~~
Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable]
[55/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_biasmerge.f90.o -c ../src/biasmerge.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/biasmerge.f90:40:28:
   40 |       integer :: i,j,k,l,p,q,ich
      |                            1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../src/biasmerge.f90:49:31:
   49 |       real(wp),allocatable :: rlistref(:)
      |                               1~~~~~~~~~~
Warning: Unused variable ‘rlistref’ declared at (1) [-Wunused-variable]
../src/biasmerge.f90: In function ‘biasmerge_’:
../src/biasmerge.f90:282:38: warning: ‘ecdftref.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized]
  282 |                 k = minloc(ecdftref,1)
      |                                      ^
../src/biasmerge.f90:46:31: note: ‘ecdftref.dim[0].ubound’ was declared here
   46 |       real(wp),allocatable :: ecdftref(:)
      |                               ^~~~~~~~~~~
../src/biasmerge.f90:43:31: warning: ‘xyz.dim[2].stride’ may be used uninitialized [-Wmaybe-uninitialized]
   43 |       real(wp),allocatable :: xyz(:,:,:)
      |                               ^~~~~~~~~~
../src/biasmerge.f90:364:36: warning: ‘mintry’ may be used uninitialized [-Wmaybe-uninitialized]
  364 |             emintryTB=eread3(mintry)
      |                                    ^
../src/biasmerge.f90:88:29: note: ‘mintry’ was declared here
   88 |       integer :: nat3,nall3,mintry
      |                             ^~~~~~
[56/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_printouts.f90.o -c ../src/printouts.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/printouts.f90:773:23:
  773 |        integer :: ich,i,j,k,l,io
      |                       1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/printouts.f90:773:25:
  773 |        integer :: ich,i,j,k,l,io
      |                         1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/printouts.f90:773:27:
  773 |        integer :: ich,i,j,k,l,io
      |                           1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/printouts.f90:773:29:
  773 |        integer :: ich,i,j,k,l,io
      |                             1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/printouts.f90:448:18:
  448 |       integer :: i,j
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/printouts.f90:448:20:
  448 |       integer :: i,j
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/printouts.f90:471:18:
  471 |       integer :: i,j
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/printouts.f90:471:20:
  471 |       integer :: i,j
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/printouts.f90:578:18:
  578 |       logical :: constpr  = .false.
      |                  1~~~~~~
Warning: Unused variable ‘constpr’ declared at (1) [-Wunused-variable]
[57/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_flexi.f90.o -c ../src/flexi.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/flexi.f90:243:78:
  243 |          flexval = 0.5_wp * ( 1.0_wp - ehb / -0.00043374 + 1.0_wp - edisp / -0.00163029 )
      |                                                                              1
Warning: Extension: Unary operator following arithmetic operator (use parentheses) at (1)
../src/flexi.f90:267:37:
  267 |     character(len=:),allocatable :: dum
      |                                     1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/flexi.f90:269:20:
  269 |     integer :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/flexi.f90:44:66:
   44 |       real(wp) :: dx,dy,dz,r,r2,rco,tmp,val,ringf,doublef,branch,av1,effectivNat,hybf
      |                                                                  1~~
Warning: Unused variable ‘av1’ declared at (1) [-Wunused-variable]
../src/flexi.f90:38:38:
   38 |       real(wp),allocatable::xyz(:,:),bond(:,:),rcov(:),cn(:),cring(:,:),wbo(:,:),wbofull(:,:)
      |                                      1~~~~~~~~
Warning: Unused variable ‘bond’ declared at (1) [-Wunused-variable]
../src/flexi.f90:47:15:
   47 |       logical samering,ex
      |               1~~~~~~~
Warning: Unused variable ‘samering’ declared at (1) [-Wunused-variable]
../src/flexi.f90:44:37:
   44 |       real(wp) :: dx,dy,dz,r,r2,rco,tmp,val,ringf,doublef,branch,av1,effectivNat,hybf
      |                                     1~~
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/flexi.f90:204:37:
  204 |          character(len=80) :: fname,solv
      |                                     1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
[58/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_freqmasses.f90.o -c ../src/freqmasses.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/freqmasses.f90:31:27:
   31 |      integer :: i,j,k,l,m,n
      |                           1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/freqmasses.f90:204:23:
  204 |      integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/freqmasses.f90:250:21:
  250 |      integer :: n,i,j,k
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/freqmasses.f90:250:23:
  250 |      integer :: n,i,j,k
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[59/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_confscript2_misc.f90.o -c ../src/confscript2_misc.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/confscript2_misc.f90:430:32:
  430 |          character(len=256) :: btmp,ctmp
      |                                1~~~
Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:431:36:
  431 |          character(len=512) :: str,dg
      |                                    1~
Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:442:21:
  442 |          integer :: iz1,iz2,nall
      |                     1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:442:25:
  442 |          integer :: iz1,iz2,nall
      |                         1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:440:23:
  440 |          integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:440:25:
  440 |          integer :: i,j,k,l
      |                         1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:434:22:
  434 |          real(wp) :: lev
      |                      1~~
Warning: Unused variable ‘lev’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:429:32:
  429 |          character(len=80)  :: solv,fname,pipe
      |                                1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:431:32:
  431 |          character(len=512) :: str,dg
      |                                1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1065:18:
 1065 |       integer :: i,j,k,nat
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1062:18:
 1062 |       integer :: iz1,iz2,nall,remain
      |                  1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1062:22:
 1062 |       integer :: iz1,iz2,nall,remain
      |                      1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1065:20:
 1065 |       integer :: i,j,k,nat
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1062:31:
 1062 |       integer :: iz1,iz2,nall,remain
      |                               1~~~~~
Warning: Unused variable ‘remain’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1105:31:
 1105 |       real(wp),allocatable :: dummythr(:)
      |                               1~~~~~~~~~~
Warning: Unused variable ‘dummythr’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1100:18:
 1100 |       integer :: i,j,k,nallin,nallout,nallthr
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1097:18:
 1097 |       integer :: iz1,iz2,nall,remain
      |                  1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1097:22:
 1097 |       integer :: iz1,iz2,nall,remain
      |                      1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1100:20:
 1100 |       integer :: i,j,k,nallin,nallout,nallthr
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1100:22:
 1100 |       integer :: i,j,k,nallin,nallout,nallthr
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1097:26:
 1097 |       integer :: iz1,iz2,nall,remain
      |                          1~~~
Warning: Unused variable ‘nall’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1097:31:
 1097 |       integer :: iz1,iz2,nall,remain
      |                               1~~~~~
Warning: Unused variable ‘remain’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1098:24:
 1098 |       real(wp) :: ewin,thresh(8)
      |                        1~~~~~~~~
Warning: Unused variable ‘thresh’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:269:34:
  269 |          integer,allocatable ::  ats(:)
      |                                  1~~~~~
Warning: Unused variable ‘ats’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:268:34:
  268 |          real(wp),allocatable :: confs(:,:,:),eread(:)
      |                                  1~~~~~~~~~~~
Warning: Unused variable ‘confs’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:268:47:
  268 |          real(wp),allocatable :: confs(:,:,:),eread(:)
      |                                               1~~~~~~~
Warning: Unused variable ‘eread’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:266:38:
  266 |          logical :: verbose,parallel,ex
      |                                      1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:271:21:
  271 |          integer :: i,j,k,l
      |                     1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:270:27:
  270 |          integer :: nall2,iz1,iz2
      |                           1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:270:31:
  270 |          integer :: nall2,iz1,iz2
      |                               1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:271:23:
  271 |          integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:271:25:
  271 |          integer :: i,j,k,l
      |                         1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:271:27:
  271 |          integer :: i,j,k,l
      |                           1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:270:21:
  270 |          integer :: nall2,iz1,iz2
      |                     1~~~~
Warning: Unused variable ‘nall2’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:266:29:
  266 |          logical :: verbose,parallel,ex
      |                             1~~~~~~~
Warning: Unused variable ‘parallel’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:261:37:
  261 |          character(len=80)  :: solv,pipe
      |                                     1~~~
Warning: Unused variable ‘pipe’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:261:32:
  261 |          character(len=80)  :: solv,pipe
      |                                1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:263:49:
  263 |          character(len=512) :: tmppath,thispath,str
      |                                                 1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:266:21:
  266 |          logical :: verbose,parallel,ex
      |                     1~~~~~~
Warning: Unused variable ‘verbose’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:807:23:
  807 |          integer :: i,j
      |                       1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:735:16:
  735 |     logical :: ex
      |                1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:128:42:
  128 |          character(len=80) :: fname,pipe,solv
      |                                          1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:330:18:
  330 |       integer :: ACTIVE,DONE,TOTAL,vz
      |                  1~~~~~
Warning: Unused variable ‘active’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:330:25:
  330 |       integer :: ACTIVE,DONE,TOTAL,vz
      |                         1~~~
Warning: Unused variable ‘done’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:329:20:
  329 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:329:22:
  329 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:329:24:
  329 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:334:40:
  334 |       character(len=80)  :: fname,pipe,solv,atmp,btmp
      |                                        1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:330:30:
  330 |       integer :: ACTIVE,DONE,TOTAL,vz
      |                              1~~~~
Warning: Unused variable ‘total’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:597:23:
  597 |      integer :: modus,nremain
      |                       1~~~~~~
Warning: Unused variable ‘nremain’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:592:19:
  592 |      real(wp)  :: time
      |                   1~~~
Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:864:19:
  864 |       logical  :: better
      |                   1~~~~~
Warning: Unused variable ‘better’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:865:19:
  865 |       real(wp) :: ewin,ewinbackup
      |                   1~~~
Warning: Unused variable ‘ewin’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:867:19:
  867 |       logical  :: ex
      |                   1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:868:29:
  868 |       character(len=80)  :: str
      |                             1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1034:33:
 1034 | subroutine append_INPUT_to(fnam,nat,newtag)
      |                                 1~~
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/confscript2_misc.f90:1432:18:
 1432 |     integer :: i,j,k,nall
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90:1432:20:
 1432 |     integer :: i,j,k,nall
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confscript2_misc.f90: In function ‘emtdcopy_’:
../src/confscript2_misc.f90:1353:61: warning: ‘sdiff’ may be used uninitialized [-Wmaybe-uninitialized]
 1353 |     conv1 = (sdiff < env%emtd%sconvthr) !.and.(sdiff > 0.0d0)
      |                                                             ^
../src/confscript2_misc.f90:1272:17: note: ‘sdiff’ was declared here
 1272 |     real(wp) :: sdiff
      |                 ^~~~~
[60/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_identifiers.f90.o -c ../src/identifiers.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/identifiers.f90:528:30:
  528 |       integer,allocatable :: equivalents(:,:)
      |                              1~~~~~~~~~~~~~~~
Warning: Unused variable ‘equivalents’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:521:28:
  521 |       character(len=10) :: ident
      |                            1~~~~
Warning: Unused variable ‘ident’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:526:24:
  526 |       integer :: nmeth,nmeth2
      |                        1~~~~~
Warning: Unused variable ‘nmeth2’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:586:27:
  586 |       character(len=1) :: chiral
      |                           1~~~~~
Warning: Unused variable ‘chiral’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:583:30:
  583 |       integer,allocatable :: idarr(:),neighb(:)
      |                              1~~~~~~~
Warning: Unused variable ‘idarr’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:578:19:
  578 |       real(wp) :: r
      |                   1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:584:27:
  584 |       character(len=8) :: str
      |                           1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:585:27:
  585 |       character(len=9) :: str2
      |                           1~~~
Warning: Unused variable ‘str2’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:567:21:
  567 | subroutine methyl(i,xyz,iat,nat,cn,bond,meth,hydrogens)
      |                     1~~
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/identifiers.f90:314:19:
  314 |       real(wp) :: r
      |                   1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:398:33:
  398 | subroutine chispat(c,icn,neighb,iat,nat,xyz,idarr,chiral)
      |                                 1~~
Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument]
../src/identifiers.f90:398:45:
  398 | subroutine chispat(c,icn,neighb,iat,nat,xyz,idarr,chiral)
      |                                             1~~~~
Warning: Unused dummy argument ‘idarr’ at (1) [-Wunused-dummy-argument]
../src/identifiers.f90:410:24:
  410 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:415:19:
  415 |       real(wp) :: mat2(3,3)
      |                   1~~~~~~~~
Warning: Unused variable ‘mat2’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:416:19:
  416 |       real(wp) :: spat
      |                   1~~~
Warning: Unused variable ‘spat’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:417:19:
  417 |       real(wp) :: spat2
      |                   1~~~~
Warning: Unused variable ‘spat2’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:412:19:
  412 |       real(wp) :: vec(3)
      |                   1~~~~~
Warning: Unused variable ‘vec’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:413:19:
  413 |       real(wp) :: vec2(3)
      |                   1~~~~~~
Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:261:31:
  261 | subroutine countnonh2(nat,icn,iat,idarr,n2)
      |                               1~~
Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument]
../src/identifiers.f90:384:20:
  384 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:384:22:
  384 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:384:24:
  384 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:33:27:
   33 |        integer :: i,j,k,l,h
      |                           1
Warning: Unused variable ‘h’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:33:23:
   33 |        integer :: i,j,k,l,h
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:33:25:
   33 |        integer :: i,j,k,l,h
      |                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:108:18:
  108 |       integer :: i,j,k,l,q,p,r
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:113:28:
  113 |       character(len=10) :: ident
      |                            1~~~~
Warning: Unused variable ‘ident’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:114:40:
  114 |       character(len=10),allocatable :: itens(:,:)   !identifier tensor
      |                                        1~~~~~~~~~
Warning: Unused variable ‘itens’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:117:20:
  117 |       integer :: n,iz1,nall,nonh,gc,sgc,tgc
      |                    1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:108:24:
  108 |       integer :: i,j,k,l,q,p,r
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:119:18:
  119 |       logical :: lprint,verbose
      |                  1~~~~~
Warning: Unused variable ‘lprint’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:112:27:
  112 |       real(wp) :: xx(100),thresh,dE
      |                           1~~~~~
Warning: Unused variable ‘thresh’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:112:19:
  112 |       real(wp) :: xx(100),thresh,dE
      |                   1~~~~~~
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:491:20:
  491 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:491:22:
  491 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/identifiers.f90:491:24:
  491 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[61/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_entropy.f90.o -c ../src/entropy.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/entropy.f90:167:44:
  167 |       real(wp) :: f,esum,esum2,esum3,gi,pi,sump
      |                                            1~~~
Warning: Unused variable ‘sump’ declared at (1) [-Wunused-variable]
../src/entropy.f90:70:17:
   70 |      logical :: ex
      |                 1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/entropy.f90:67:17:
   67 |      integer :: ich
      |                 1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/entropy.f90:66:19:
   66 |      integer :: i,j,k,l,ii
      |                   1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/entropy.f90:66:21:
   66 |      integer :: i,j,k,l,ii
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/entropy.f90:66:23:
   66 |      integer :: i,j,k,l,ii
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/entropy.f90:62:31:
   62 |      integer, allocatable  :: ncslot(:)
      |                               1~~~~~~~~
Warning: Unused variable ‘ncslot’ declared at (1) [-Wunused-variable]
../src/entropy.f90:57:18:
   57 |      real(wp) :: rot(3)
      |                  1~~~~~
Warning: Unused variable ‘rot’ declared at (1) [-Wunused-variable]
../src/entropy.f90:56:34:
   56 |      real(wp) :: dum1,dum2,stest,serr1,serr2,w_extra,x
      |                                  1~~~~
Warning: Unused variable ‘serr1’ declared at (1) [-Wunused-variable]
../src/entropy.f90:56:40:
   56 |      real(wp) :: dum1,dum2,stest,serr1,serr2,w_extra,x
      |                                        1~~~~
Warning: Unused variable ‘serr2’ declared at (1) [-Wunused-variable]
../src/entropy.f90:55:18:
   55 |      real(wp) :: srrho, sconf, hconf, cp
      |                  1~~~~
Warning: Unused variable ‘srrho’ declared at (1) [-Wunused-variable]
../src/entropy.f90:56:28:
   56 |      real(wp) :: dum1,dum2,stest,serr1,serr2,w_extra,x
      |                            1~~~~
Warning: Unused variable ‘stest’ declared at (1) [-Wunused-variable]
../src/entropy.f90:40:53:
   40 | subroutine calculateEntropy(nconf_tot,energies,nrot,sym, &
      |                                                     1~~
Warning: Unused dummy argument ‘sym’ at (1) [-Wunused-dummy-argument]
../src/entropy.f90:56:46:
   56 |      real(wp) :: dum1,dum2,stest,serr1,serr2,w_extra,x
      |                                              1~~~~~~
Warning: Unused variable ‘w_extra’ declared at (1) [-Wunused-variable]
../src/entropy.f90:56:54:
   56 |      real(wp) :: dum1,dum2,stest,serr1,serr2,w_extra,x
      |                                                      1
Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable]
../src/entropy.f90:232:17:
  232 |     real(wp) :: avs,dum1,dum2,val
      |                 1~~
Warning: Unused variable ‘avs’ declared at (1) [-Wunused-variable]
../src/entropy.f90:231:19:
  231 |     real(wp) :: s,cp
      |                   1~
Warning: Unused variable ‘cp’ declared at (1) [-Wunused-variable]
../src/entropy.f90:232:21:
  232 |     real(wp) :: avs,dum1,dum2,val
      |                     1~~~
Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable]
../src/entropy.f90:231:17:
  231 |     real(wp) :: s,cp
      |                 1
Warning: Unused variable ‘s’ declared at (1) [-Wunused-variable]
../src/entropy.f90:475:26:
  475 | subroutine redo_extrapol(env,fname,rtin)
      |                          1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/entropy.f90:482:22:
  482 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/entropy.f90:484:17:
  484 |     real(wp) :: T
      |                 1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
[62/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_ensemblecomp.f90.o -c ../src/ensemblecomp.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ensemblecomp.f90:377:25:
  377 |          integer :: i,j,k,l
      |                         1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ensemblecomp.f90:377:27:
  377 |          integer :: i,j,k,l
      |                           1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ensemblecomp.f90:49:27:
   49 |          real(wp) :: rthr,bthr
      |                           1~~~
Warning: Unused variable ‘bthr’ declared at (1) [-Wunused-variable]
../src/ensemblecomp.f90:39:21:
   39 |          integer :: io,tr1,tr2
      |                     1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/ensemblecomp.f90:38:21:
   38 |          integer :: iz1,iz2
      |                     1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/ensemblecomp.f90:38:25:
   38 |          integer :: iz1,iz2
      |                         1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/ensemblecomp.f90:52:22:
   52 |          real(wp) :: max_1,max_2
      |                      1~~~~
Warning: Unused variable ‘max_1’ declared at (1) [-Wunused-variable]
../src/ensemblecomp.f90:52:28:
   52 |          real(wp) :: max_1,max_2
      |                            1~~~~
Warning: Unused variable ‘max_2’ declared at (1) [-Wunused-variable]
../src/ensemblecomp.f90:64:34:
   64 |          integer,allocatable  :: sort(:)
      |                                  1~~~~~~
Warning: Unused variable ‘sort’ declared at (1) [-Wunused-variable]
[63/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_msreact.f90.o -c ../src/msreact.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/msreact.f90:103:24:
  103 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/msreact.f90:88:37:
   88 | subroutine msreact(mso,mol,nat,pair,paths,nbonds)
      |                                     1~~~~
Warning: Unused dummy argument ‘paths’ at (1) [-Wunused-dummy-argument]
../src/msreact.f90:215:27:
  215 | subroutine msreact_jobber(mso,ndirs,base,niceprint)
      |                           1~~
Warning: Unused dummy argument ‘mso’ at (1) [-Wunused-dummy-argument]
../src/msreact.f90:53:16:
   53 |     integer :: i,j,k,l
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/msreact.f90:53:18:
   53 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/msreact.f90:53:22:
   53 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/msreact.f90:52:16:
   52 |     integer :: lin !this is a function
      |                1~~
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/msreact.f90:25:32:
   25 | subroutine msreact_handler(env,tim)
      |                                1~~
Warning: Unused dummy argument ‘tim’ at (1) [-Wunused-dummy-argument]
../src/msreact.f90: In function ‘msreact_collect_’:
../src/msreact.f90:336:38: warning: ‘p’ may be used uninitialized [-Wmaybe-uninitialized]
  336 |        write(pdir,'(i0,i0,a,i0)')1,p+1,'Pair_',p2
      |                                      ^
../src/msreact.f90:325:16: note: ‘p’ was declared here
  325 |     integer :: p,p2
      |                ^
[64/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_ncigeo.f90.o -c ../src/ncigeo.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ncigeo.f90:304:21:
  304 |   call axis(nA,atA,A,A,dum)
      |                     1
Warning: Same actual argument associated with INTENT(OUT) argument ‘coordout’ and INTENT(IN) argument ‘coord’ at (1)
../src/ncigeo.f90:305:21:
  305 |   call axis(nB,atB,B,B,dum)
      |                     1
Warning: Same actual argument associated with INTENT(OUT) argument ‘coordout’ and INTENT(IN) argument ‘coord’ at (1)
../src/ncigeo.f90:442:21:
  442 | subroutine shiftmol(A,nA,B,nB,X)
      |                     1
Warning: Unused dummy argument ‘a’ at (1) [-Wunused-dummy-argument]
../src/ncigeo.f90:353:16:
  353 |   integer :: i,j
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:407:16:
  407 |   integer :: i,j
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:408:35:
  408 |   real(wp),allocatable :: rcov(:),rat(:)
      |                                   1~~~~~
Warning: Unused variable ‘rat’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:400:19:
  400 | function volsum(n,xyz,at)
      |                   1~~
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/ncigeo.f90:161:16:
  161 |   integer :: i,j,k,l
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:161:18:
  161 |   integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:161:20:
  161 |   integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:184:21:
  184 | subroutine dummypot(env,ellips,xyz,at,nat)
      |                     1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/ncigeo.f90:193:14:
  193 |   integer :: imax
      |              1~~~
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:192:16:
  192 |   integer :: i,j,k,l
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:192:18:
  192 |   integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:192:20:
  192 |   integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:38:20:
   38 |   real(wp) :: sola,atot,vtot
      |                    1~~~
Warning: Unused variable ‘atot’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:41:15:
   41 |   real(wp) :: dumbox(3,3),getbox
      |               1~~~~~~~~~~
Warning: Unused variable ‘dumbox’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:41:27:
   41 |   real(wp) :: dumbox(3,3),getbox
      |                           1~~~~~
Warning: Unused variable ‘getbox’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:32:14:
   32 |   integer :: i,j,k,l
      |              1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:32:16:
   32 |   integer :: i,j,k,l
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:32:18:
   32 |   integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:32:20:
   32 |   integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:119:20:
  119 |   real(wp) :: sola,atot,vtot
      |                    1~~~
Warning: Unused variable ‘atot’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:122:15:
  122 |   real(wp) :: dumbox(3,3),getbox
      |               1~~~~~~~~~~
Warning: Unused variable ‘dumbox’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:122:27:
  122 |   real(wp) :: dumbox(3,3),getbox
      |                           1~~~~~
Warning: Unused variable ‘getbox’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:116:14:
  116 |   integer :: i,j,k,l
      |              1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:116:16:
  116 |   integer :: i,j,k,l
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:116:18:
  116 |   integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:116:20:
  116 |   integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:270:14:
  270 |   integer :: ich,ich2
      |              1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:270:18:
  270 |   integer :: ich,ich2
      |                  1~~~
Warning: Unused variable ‘ich2’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:269:20:
  269 |   integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ncigeo.f90:373:16:
  373 |   integer :: i,j
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
[65/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_ligands.f90.o -c ../src/ligands.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ligands.f90:342:27:
  342 |        center = center * -distrel
      |                           1
Warning: Extension: Unary operator following arithmetic operator (use parentheses) at (1)
../src/ligands.f90:384:19:
  384 | subroutine ohflip(env,mol,numstruc)
      |                   1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/ligands.f90:401:17:
  401 |     real(wp) :: eucdist !this is a function
      |                 1~~~~~~
Warning: Unused variable ‘eucdist’ declared at (1) [-Wunused-variable]
../src/ligands.f90:396:22:
  396 |     integer :: i,noh,j,io
      |                      1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ligands.f90:400:17:
  400 |     real(wp) :: ohlen,ohlen2
      |                 1~~~~
Warning: Unused variable ‘ohlen’ declared at (1) [-Wunused-variable]
../src/ligands.f90:400:23:
  400 |     real(wp) :: ohlen,ohlen2
      |                       1~~~~~
Warning: Unused variable ‘ohlen2’ declared at (1) [-Wunused-variable]
../src/ligands.f90:94:28:
   94 |     integer,allocatable :: at(:)
      |                            1~~~~
Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable]
../src/ligands.f90:95:32:
   95 |     character(len=128) :: atmp,btmp
      |                                1~~~
Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable]
../src/ligands.f90:91:29:
   91 |     integer :: i,j,k,l,m,nb,ich
      |                             1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/ligands.f90:93:29:
   93 |     real(wp),allocatable :: xyz(:,:)
      |                             1~~~~~~~
Warning: Unused variable ‘xyz’ declared at (1) [-Wunused-variable]
../src/ligands.f90:37:28:
   37 |     integer,allocatable :: at(:)
      |                            1~~~~
Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable]
../src/ligands.f90:38:32:
   38 |     character(len=128) :: atmp,btmp
      |                                1~~~
Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable]
../src/ligands.f90:36:29:
   36 |     real(wp),allocatable :: xyz(:,:)
      |                             1~~~~~~~
Warning: Unused variable ‘xyz’ declared at (1) [-Wunused-variable]
../src/ligands.f90:330:18:
  330 |     integer :: i,j,k,l,n2
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ligands.f90:330:22:
  330 |     integer :: i,j,k,l,n2
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ligands.f90:201:24:
  201 |     integer :: i,j,k,l,ich,nr,nl,pls
      |                        1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/ligands.f90:201:22:
  201 |     integer :: i,j,k,l,ich,nr,nl,pls
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ligands.f90:354:23:
  354 | subroutine ligandtool(env,infile,newligand,center,oldligand,isatom)
      |                       1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/ligands.f90:354:61:
  354 | subroutine ligandtool(env,infile,newligand,center,oldligand,isatom)
      |                                                             1~~~~~
Warning: Unused dummy argument ‘isatom’ at (1) [-Wunused-dummy-argument]
../src/ligands.f90:516:16:
  516 |     integer :: i,j,k,l
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/ligands.f90:516:18:
  516 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ligands.f90:516:22:
  516 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ligands.f90: In function ‘ohflip_’:
../src/ligands.f90:398:33: warning: ‘xpos[0]’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |     real(wp) :: hpos(3),opos(3),xpos(3)
      |                                 ^~~~~~~
../src/ligands.f90:398:33: warning: ‘xpos[1]’ may be used uninitialized [-Wmaybe-uninitialized]
../src/ligands.f90:434:33: warning: ‘thehatom’ may be used uninitialized [-Wmaybe-uninitialized]
  434 |            new%xyz(:,theh) = hnew
      |                                 ^
../src/ligands.f90:463:54: note: ‘thehatom’ was declared here
  463 | function ohpos(zmol,k,hpos,opos,xpos) result(thehatom)
      |                                                      ^
../src/ligands.f90:428:29: warning: ‘xpos[2]’ may be used uninitialized [-Wmaybe-uninitialized]
  428 |            kvec = xpos - opos
      |                             ^
../src/ligands.f90:398:33: note: ‘xpos[2]’ was declared here
  398 |     real(wp) :: hpos(3),opos(3),xpos(3)
      |                                 ^~~~~~~
[66/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_optinplace.f90.o -c ../src/optinplace.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/optinplace.f90:55:34:
   55 |          real(wp),allocatable :: c0(:,:)
      |                                  1~~~~~~
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/optinplace.f90:52:30:
   52 |          integer :: ich,r,io,fileid
      |                              1~~~~~
Warning: Unused variable ‘fileid’ declared at (1) [-Wunused-variable]
../src/optinplace.f90:53:21:
   53 |          integer :: iz1,iz2,nall
      |                     1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/optinplace.f90:53:25:
   53 |          integer :: iz1,iz2,nall
      |                         1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/optinplace.f90:51:23:
   51 |          integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/optinplace.f90:44:22:
   44 |          real(wp) :: lev
      |                      1~~
Warning: Unused variable ‘lev’ declared at (1) [-Wunused-variable]
[67/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_minitools.f90.o -c ../src/minitools.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/minitools.f90:35:29:
   35 |       character(len=128) :: atmp,btmp
      |                             1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/minitools.f90:35:34:
   35 |       character(len=128) :: atmp,btmp
      |                                  1~~~
Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable]
../src/minitools.f90:32:18:
   32 |       integer :: nref
      |                  1~~~
Warning: Unused variable ‘nref’ declared at (1) [-Wunused-variable]
../src/minitools.f90:107:29:
  107 |       character(len=128) :: atmp,btmp
      |                             1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/minitools.f90:107:34:
  107 |       character(len=128) :: atmp,btmp
      |                                  1~~~
Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable]
../src/minitools.f90:111:18:
  111 |       integer :: nc
      |                  1~
Warning: Unused variable ‘nc’ declared at (1) [-Wunused-variable]
../src/minitools.f90:104:18:
  104 |       integer :: nref
      |                  1~~~
Warning: Unused variable ‘nref’ declared at (1) [-Wunused-variable]
../src/minitools.f90:117:26:
  117 |       integer :: i,j,k,l,r
      |                          1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/minitools.f90:106:29:
  106 |       character(len=512) :: thispath,tmppath1,tmppath2
      |                             1~~~~~~~
Warning: Unused variable ‘thispath’ declared at (1) [-Wunused-variable]
../src/minitools.f90:106:38:
  106 |       character(len=512) :: thispath,tmppath1,tmppath2
      |                                      1~~~~~~~
Warning: Unused variable ‘tmppath1’ declared at (1) [-Wunused-variable]
../src/minitools.f90:106:47:
  106 |       character(len=512) :: thispath,tmppath1,tmppath2
      |                                               1~~~~~~~
Warning: Unused variable ‘tmppath2’ declared at (1) [-Wunused-variable]
../src/minitools.f90:209:18:
  209 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/minitools.f90:209:20:
  209 |     integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/minitools.f90:209:22:
  209 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/minitools.f90:259:17:
  259 |     real(wp) :: eav,elow
      |                 1~~
Warning: Unused variable ‘eav’ declared at (1) [-Wunused-variable]
../src/minitools.f90:346:18:
  346 |     integer :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/minitools.f90:385:17:
  385 |     real(wp) :: dum
      |                 1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/minitools.f90:384:29:
  384 |     real(wp),allocatable :: erel(:)
      |                             1~~~~~~
Warning: Unused variable ‘erel’ declared at (1) [-Wunused-variable]
../src/minitools.f90:386:18:
  386 |     integer :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/minitools.f90:427:25:
  427 |     real(wp) :: rabc(3),avmom
      |                         1~~~~
Warning: Unused variable ‘avmom’ declared at (1) [-Wunused-variable]
../src/minitools.f90:430:21:
  430 |     integer :: nt,i,j,k,l
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/minitools.f90:430:23:
  430 |     integer :: nt,i,j,k,l
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/minitools.f90:430:25:
  430 |     integer :: nt,i,j,k,l
      |                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/minitools.f90:428:17:
  428 |     real(wp) :: molmass,symnum
      |                 1~~~~~~
Warning: Unused variable ‘molmass’ declared at (1) [-Wunused-variable]
../src/minitools.f90:427:17:
  427 |     real(wp) :: rabc(3),avmom
      |                 1~~~~~~
Warning: Unused variable ‘rabc’ declared at (1) [-Wunused-variable]
../src/minitools.f90:429:25:
  429 |     character(len=3) :: symchar
      |                         1~~~~~~
Warning: Unused variable ‘symchar’ declared at (1) [-Wunused-variable]
../src/minitools.f90:428:25:
  428 |     real(wp) :: molmass,symnum
      |                         1~~~~~
Warning: Unused variable ‘symnum’ declared at (1) [-Wunused-variable]
../src/minitools.f90:542:25:
  542 |        integer :: i,j,k,io,ich
      |                         1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/minitools.f90:542:21:
  542 |        integer :: i,j,k,io,ich
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/minitools.f90:542:23:
  542 |        integer :: i,j,k,io,ich
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[68/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_normmd.f90.o -c ../src/normmd.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/normmd.f90:533:29:
  533 |          logical :: verbose,parallel
      |                             1~~~~~~~
Warning: Unused variable ‘parallel’ declared at (1) [-Wunused-variable]
../src/normmd.f90:530:49:
  530 |          character(len=512) :: tmppath,thispath,str
      |                                                 1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/normmd.f90:533:21:
  533 |          logical :: verbose,parallel
      |                     1~~~~~~
Warning: Unused variable ‘verbose’ declared at (1) [-Wunused-variable]
../src/normmd.f90:39:29:
   39 |          logical :: verbose,parallel
      |                             1~~~~~~~
Warning: Unused variable ‘parallel’ declared at (1) [-Wunused-variable]
../src/normmd.f90:36:49:
   36 |          character(len=512) :: tmppath,thispath,str
      |                                                 1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/normmd.f90:39:21:
   39 |          logical :: verbose,parallel
      |                     1~~~~~~
Warning: Unused variable ‘verbose’ declared at (1) [-Wunused-variable]
../src/normmd.f90:103:21:
  103 |          integer :: ACTIVE,DONE,TOTAL,vz,io
      |                     1~~~~~
Warning: Unused variable ‘active’ declared at (1) [-Wunused-variable]
../src/normmd.f90:103:28:
  103 |          integer :: ACTIVE,DONE,TOTAL,vz,io
      |                            1~~~
Warning: Unused variable ‘done’ declared at (1) [-Wunused-variable]
../src/normmd.f90:111:21:
  111 |          integer :: iz1,iz2
      |                     1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/normmd.f90:102:27:
  102 |          integer :: i,j,k,l
      |                           1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/normmd.f90:109:33:
  109 |          integer,allocatable :: MDstatus(:)
      |                                 1~~~~~~~~~~
Warning: Unused variable ‘mdstatus’ declared at (1) [-Wunused-variable]
../src/normmd.f90:107:43:
  107 |          character(len=80)  :: fname,pipe,solv,inpnam,outnam,sname
      |                                           1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/normmd.f90:350:21:
  350 |          integer :: ACTIVE,DONE,TOTAL,vz,io
      |                     1~~~~~
Warning: Unused variable ‘active’ declared at (1) [-Wunused-variable]
../src/normmd.f90:350:28:
  350 |          integer :: ACTIVE,DONE,TOTAL,vz,io
      |                            1~~~
Warning: Unused variable ‘done’ declared at (1) [-Wunused-variable]
../src/normmd.f90:355:21:
  355 |          integer :: iz1,iz2
      |                     1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/normmd.f90:349:27:
  349 |          integer :: i,j,k,l
      |                           1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/normmd.f90:348:27:
  348 |          integer :: lconf,ntemps,tot
      |                           1~~~~~
Warning: Unused variable ‘ntemps’ declared at (1) [-Wunused-variable]
../src/normmd.f90:354:43:
  354 |          character(len=80)  :: fname,pipe,solv,inpnam,outnam,sname
      |                                           1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/normmd.f90:358:34:
  358 |          real(wp),allocatable :: temperatures(:),temperatures2(:)
      |                                  1~~~~~~~~~~~~~~
Warning: Unused variable ‘temperatures’ declared at (1) [-Wunused-variable]
../src/normmd.f90:358:50:
  358 |          real(wp),allocatable :: temperatures(:),temperatures2(:)
      |                                                  1~~~~~~~~~~~~~~~
Warning: Unused variable ‘temperatures2’ declared at (1) [-Wunused-variable]
[69/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_pka.f90.o -c ../src/pka.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/pka.f90:619:17:
  619 |     real(wp) :: GA,GB
      |                 1~
Warning: Unused variable ‘ga’ declared at (1) [-Wunused-variable]
../src/pka.f90:619:20:
  619 |     real(wp) :: GA,GB
      |                    1~
Warning: Unused variable ‘gb’ declared at (1) [-Wunused-variable]
../src/pka.f90:357:19:
  357 |        integer :: chrg
      |                   1~~~
Warning: Unused variable ‘chrg’ declared at (1) [-Wunused-variable]
../src/pka.f90:55:19:
   55 |       real(wp) :: c0,c1,c2,c3,c4
      |                   1~
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/pka.f90:55:22:
   55 |       real(wp) :: c0,c1,c2,c3,c4
      |                      1~
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/pka.f90:55:25:
   55 |       real(wp) :: c0,c1,c2,c3,c4
      |                         1~
Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable]
../src/pka.f90:55:28:
   55 |       real(wp) :: c0,c1,c2,c3,c4
      |                            1~
Warning: Unused variable ‘c3’ declared at (1) [-Wunused-variable]
../src/pka.f90:55:31:
   55 |       real(wp) :: c0,c1,c2,c3,c4
      |                               1~
Warning: Unused variable ‘c4’ declared at (1) [-Wunused-variable]
../src/pka.f90:58:32:
   58 |       integer :: i,j,k,l,h,ich,io
      |                                1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/pka.f90:58:22:
   58 |       integer :: i,j,k,l,h,ich,io
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/pka.f90:58:24:
   58 |       integer :: i,j,k,l,h,ich,io
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/pka.f90:412:18:
  412 |     integer :: h,io
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/pka.f90:413:17:
  413 |     real(wp) :: rdum
      |                 1~~~
Warning: Unused variable ‘rdum’ declared at (1) [-Wunused-variable]
../src/pka.f90:581:17:
  581 |     real(wp) :: GA,GB
      |                 1~
Warning: Unused variable ‘ga’ declared at (1) [-Wunused-variable]
../src/pka.f90:581:20:
  581 |     real(wp) :: GA,GB
      |                    1~
Warning: Unused variable ‘gb’ declared at (1) [-Wunused-variable]
[70/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_entropic.f90.o -c ../src/entropic.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/entropic.f90:322:7:
  322 |      l=factotal(rotfac,n)
      |       1
Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion]
../src/entropic.f90:283:19:
  283 |      integer :: i,j,k,l
      |                   1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/entropic.f90:289:27:
  289 |      character(len=64) :: str
      |                           1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1002:24:
 1002 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1160:33:
 1160 | subroutine excludeFromRMSD(zmol,grp,inc)
      |                                 1~~
Warning: Unused dummy argument ‘grp’ at (1) [-Wunused-dummy-argument]
../src/entropic.f90:1167:20:
 1167 |       integer :: i,j
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1168:18:
 1168 |       integer :: n
      |                  1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1254:22:
 1254 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1349:18:
 1349 |       integer :: i,io
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1349:20:
 1349 |       integer :: i,io
      |                    1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1389:18:
 1389 |       integer :: i,io
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/entropic.f90:500:26:
  500 |       type(zgrp)      :: newgrp
      |                          1~~~~~
Warning: Unused variable ‘newgrp’ declared at (1) [-Wunused-variable]
../src/entropic.f90:503:25:
  503 |       integer :: ng,nsg,nm,nms
      |                         1~
Warning: Unused variable ‘nm’ declared at (1) [-Wunused-variable]
../src/entropic.f90:754:20:
  754 |       integer :: i,j
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/entropic.f90:910:17:
  910 |      logical :: rotagroup
      |                 1~~~~~~~~
Warning: Unused variable ‘rotagroup’ declared at (1) [-Wunused-variable]
../src/entropic.f90:409:24:
  409 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1497:22:
 1497 |       integer :: i,j,iz1,k
      |                      1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/entropic.f90:78:19:
   78 |       real(wp) :: dum,tlen,dum2
      |                   1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/entropic.f90:76:18:
   76 |       logical :: ex
      |                  1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/entropic.f90:77:20:
   77 |       integer :: i,j,k,l,nt
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/entropic.f90:77:24:
   77 |       integer :: i,j,k,l,nt
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/entropic.f90:73:30:
   73 |       integer,allocatable :: occurence(:)
      |                              1~~~~~~~~~~~
Warning: Unused variable ‘occurence’ declared at (1) [-Wunused-variable]
../src/entropic.f90:79:46:
   79 |       real(wp) :: tdum,tstep,sdum,cpdum,hdum,srotav
      |                                              1~~~~~
Warning: Unused variable ‘srotav’ declared at (1) [-Wunused-variable]
../src/entropic.f90:78:23:
   78 |       real(wp) :: dum,tlen,dum2
      |                       1~~~
Warning: Unused variable ‘tlen’ declared at (1) [-Wunused-variable]
../src/entropic.f90:79:24:
   79 |       real(wp) :: tdum,tstep,sdum,cpdum,hdum,srotav
      |                        1~~~~
Warning: Unused variable ‘tstep’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1315:19:
 1315 |       real(wp) :: ax
      |                   1~
Warning: Unused variable ‘ax’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1314:20:
 1314 |       integer :: i,io
      |                    1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1317:27:
 1317 |       character(len=1) :: str
      |                           1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1445:18:
 1445 |       integer :: co,low,up
      |                  1~
Warning: Unused variable ‘co’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1442:20:
 1442 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1442:24:
 1442 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1445:21:
 1445 |       integer :: co,low,up
      |                     1~~
Warning: Unused variable ‘low’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1443:32:
 1443 |       integer :: n,rednat,nall,nrot,nconf
      |                                1~~~
Warning: Unused variable ‘nrot’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1443:20:
 1443 |       integer :: n,rednat,nall,nrot,nconf
      |                    1~~~~~
Warning: Unused variable ‘rednat’ declared at (1) [-Wunused-variable]
../src/entropic.f90:1445:25:
 1445 |       integer :: co,low,up
      |                         1~
Warning: Unused variable ‘up’ declared at (1) [-Wunused-variable]
[71/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_relaxensemble.f90.o -c ../src/relaxensemble.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/relaxensemble.f90:48:20:
   48 |       integer :: r,io,ich
      |                    1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/relaxensemble.f90:47:20:
   47 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/relaxensemble.f90:47:22:
   47 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/relaxensemble.f90:47:24:
   47 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[72/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_sortens.f90.o -c ../src/sortens.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/sortens.f90:35:17:
   35 |     real(wp) :: iz1
      |                 1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/sortens.f90:48:19:
   48 |     integer  :: i,j,k,l
      |                   1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/sortens.f90:48:23:
   48 |     integer  :: i,j,k,l
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/sortens.f90:43:29:
   43 |     real(wp),allocatable :: pop(:)
      |                             1~~~~~
Warning: Unused variable ‘pop’ declared at (1) [-Wunused-variable]
[73/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_protonate.f90.o -c ../src/protonate.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/protonate.f90:358:18:
  358 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/protonate.f90:358:20:
  358 |     integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/protonate.f90:358:22:
  358 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/protonate.f90:246:30:
  246 |          integer :: nat,nall,iz1,iz2
      |                              1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/protonate.f90:246:34:
  246 |          integer :: nat,nall,iz1,iz2
      |                                  1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/protonate.f90:244:23:
  244 |          integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/protonate.f90:244:25:
  244 |          integer :: i,j,k,l
      |                         1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/protonate.f90:244:27:
  244 |          integer :: i,j,k,l
      |                           1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/protonate.f90:200:42:
  200 |          character(len=80) :: fname,pipe,solv
      |                                          1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/protonate.f90:287:23:
  287 |          integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/protonate.f90:287:25:
  287 |          integer :: i,j,k,l
      |                         1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/protonate.f90:287:27:
  287 |          integer :: i,j,k,l
      |                           1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[74/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_sdfio.f90.o -c ../src/sdfio.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/sdfio.f90:116:23:
  116 |       integer  :: nat,nmisc
      |                       1~~~~
Warning: Unused variable ‘nmisc’ declared at (1) [-Wunused-variable]
../src/sdfio.f90:53:23:
   53 |       integer  :: nat,nmisc
      |                       1~~~~
Warning: Unused variable ‘nmisc’ declared at (1) [-Wunused-variable]
../src/sdfio.f90:188:29:
  188 |       character(len=256) :: atmp,btmp
      |                             1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/sdfio.f90:188:34:
  188 |       character(len=256) :: atmp,btmp
      |                                  1~~~
Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable]
../src/sdfio.f90:187:18:
  187 |       integer :: c,l
      |                  1
Warning: Unused variable ‘c’ declared at (1) [-Wunused-variable]
../src/sdfio.f90:185:22:
  185 |       integer :: ich,ich2,io
      |                      1~~~
Warning: Unused variable ‘ich2’ declared at (1) [-Wunused-variable]
../src/sdfio.f90:185:27:
  185 |       integer :: ich,ich2,io
      |                           1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/sdfio.f90:186:18:
  186 |       integer :: iz1
      |                  1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/sdfio.f90:184:22:
  184 |       integer :: i,j,k
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/sdfio.f90:187:20:
  187 |       integer :: c,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[75/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_trackorigin.f90.o -c ../src/trackorigin.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/trackorigin.f90:115:31:
  115 |         character(len=512) :: atmp
      |                               1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/trackorigin.f90:112:20:
  112 |         integer :: iz1,nat,nall
      |                    1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/trackorigin.f90:111:22:
  111 |         integer :: i,j
      |                      1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/trackorigin.f90:32:31:
   32 |         character(len=128) :: atmp
      |                               1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/trackorigin.f90:33:29:
   33 |         character(len=1) :: digit
      |                             1~~~~
Warning: Unused variable ‘digit’ declared at (1) [-Wunused-variable]
../src/trackorigin.f90:31:23:
   31 |         integer :: io,from,to
      |                       1~~~
Warning: Unused variable ‘from’ declared at (1) [-Wunused-variable]
../src/trackorigin.f90:31:20:
   31 |         integer :: io,from,to
      |                    1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/trackorigin.f90:30:22:
   30 |         integer :: i,j
      |                      1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/trackorigin.f90:31:28:
   31 |         integer :: io,from,to
      |                            1~
Warning: Unused variable ‘to’ declared at (1) [-Wunused-variable]
[76/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_ccegen.f90.o -c ../src/ccegen.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ccegen.f90:494:26:
  494 |             dist(klong) = dum
      |                          1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/ccegen.f90:1218:19:
 1218 |     logical :: pr,dum
      |                   1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1220:18:
 1220 |     integer :: i,j,k
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1220:20:
 1220 |     integer :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1108:18:
 1108 |     integer :: i,j,c,k,c2
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1110:16:
 1110 |     integer :: lin !this is a function
      |                1~~
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1109:16:
 1109 |     integer :: nclust2
      |                1~~~~~~
Warning: Unused variable ‘nclust2’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1059:21:
 1059 |     integer(idp) :: k
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1061:20:
 1061 |     integer :: i,j,l,c
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1060:21:
 1060 |     integer(idp) :: lina !this is a function
      |                     1~~~
Warning: Unused variable ‘lina’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1024:20:
 1024 |     integer :: i,j,l,c
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:944:21:
  944 |     integer(idp) :: lina !this is a function
      |                     1~~~
Warning: Unused variable ‘lina’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:822:26:
  822 |       real(wp) :: xx(10),eigsum,eigtot
      |                          1~~~~~
Warning: Unused variable ‘eigsum’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:822:33:
  822 |       real(wp) :: xx(10),eigsum,eigtot
      |                                 1~~~~~
Warning: Unused variable ‘eigtot’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:823:22:
  823 |       integer :: i,j,k,p,kk,nn,info,lwork
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:823:26:
  823 |       integer :: i,j,k,p,kk,nn,info,lwork
      |                          1~
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:823:29:
  823 |       integer :: i,j,k,p,kk,nn,info,lwork
      |                             1~
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:823:24:
  823 |       integer :: i,j,k,p,kk,nn,info,lwork
      |                        1
Warning: Unused variable ‘p’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:822:19:
  822 |       real(wp) :: xx(10),eigsum,eigtot
      |                   1~~~~~
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1353:20:
 1353 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1353:22:
 1353 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1353:24:
 1353 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1349:22:
 1349 |       integer :: nat,nall,ndied
      |                      1~~~
Warning: Unused variable ‘nall’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:1300:24:
 1300 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:776:20:
  776 |       integer :: i,j
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:795:20:
  795 |       integer :: i,j,ncon
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:51:18:
   51 |       logical :: ex
      |                  1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/ccegen.f90:98:18:
   98 |       logical :: minic
      |                  1~~~~
Warning: Unused variable ‘minic’ declared at (1) [-Wunused-variable]
../src/ccegen.f90: In function ‘getdiederatoms_’:
../src/ccegen.f90:1336:29: warning: ‘c’ may be used uninitialized [-Wmaybe-uninitialized]
 1336 |          diedat(1,ndied) = c
      |                             ^
../src/ccegen.f90:1299:22: note: ‘c’ was declared here
 1299 |       integer :: a,b,c,d
      |                      ^
../src/ccegen.f90:1337:28: warning: ‘d’ may be used uninitialized [-Wmaybe-uninitialized]
 1337 |          diedat(4,ndied) = d
      |                            ^
../src/ccegen.f90:1299:24: note: ‘d’ was declared here
 1299 |       integer :: a,b,c,d
      |                        ^
../src/ccegen.f90: In function ‘ccegen_’:
../src/ccegen.f90:61:31: warning: ‘xyznew.offset’ may be used uninitialized [-Wmaybe-uninitialized]
   61 |       real(wp),allocatable :: xyznew(:,:,:)
      |                               ^~~~~~~~~~~~~
../src/ccegen.f90:321:56: warning: ‘xyznew.dim[2].stride’ may be used uninitialized [-Wmaybe-uninitialized]
  321 |                &                 xyznew(3,j,i)**2
      |                                                        ^
../src/ccegen.f90:61:31: note: ‘xyznew.dim[2].stride’ was declared here
   61 |       real(wp),allocatable :: xyznew(:,:,:)
      |                               ^~~~~~~~~~~~~
../src/ccegen.f90:578:11: warning: ‘ssrsstthr’ may be used uninitialized [-Wmaybe-uninitialized]
  578 |         if(SSRSST > SSRSSTthr) exit
      |           ^
../src/ccegen.f90:91:34: note: ‘ssrsstthr’ was declared here
   91 |       real(wp) :: DBI,pSF,SSRSST,SSRSSTthr
      |                                  ^~~~~~~~~
[77/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_utilities.f.o -c ../src/utilities.f
../src/utilities.f:235:13:
  235 |          r  =sqrt((xyz(1,i)-xyz(1,m))**2
      |             1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/utilities.f:261:13:
  261 |          r  =sqrt((xyz(1,i)-xyz(1,m))**2
      |             1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/utilities.f:143:21:
  143 |       integer  :: i,j,k,l
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/utilities.f:143:23:
  143 |       integer  :: i,j,k,l
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/utilities.f:143:25:
  143 |       integer  :: i,j,k,l
      |                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/utilities.f:204:32:
  204 |       character*80 atmp1,atmp2,atmp
      |                                1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
[78/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_reactor.f90.o -c ../src/reactor.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/reactor.f90:337:35:
  337 |     atmp = '  temp='//adjustl(atmp)
      |                                   1
Warning: CHARACTER expression will be truncated in assignment (256/263) at (1) [-Wcharacter-truncation]
../src/reactor.f90:366:14:
  366 |   real(wp):: vol
      |              1~~
Warning: Unused variable ‘vol’ declared at (1) [-Wunused-variable]
../src/reactor.f90:772:25:
  772 |     character(len=6) :: btmp
      |                         1~~~
Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable]
../src/reactor.f90:769:20:
  769 |     integer :: ich,ich2
      |                    1~~~
Warning: Unused variable ‘ich2’ declared at (1) [-Wunused-variable]
../src/reactor.f90:768:16:
  768 |     integer :: idum
      |                1~~~
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/reactor.f90:766:18:
  766 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/reactor.f90:766:22:
  766 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/reactor.f90:767:16:
  767 |     integer :: ndtrack
      |                1~~~~~~
Warning: Unused variable ‘ndtrack’ declared at (1) [-Wunused-variable]
../src/reactor.f90:646:29:
  646 |     real(wp),allocatable :: chrgs(:,:)
      |                             1~~~~~~~~~
Warning: Unused variable ‘chrgs’ declared at (1) [-Wunused-variable]
../src/reactor.f90:649:16:
  649 |     logical :: ex
      |                1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/reactor.f90:648:19:
  648 |     integer :: io,ich
      |                   1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/reactor.f90:447:13:
  447 |   logical:: are_zgrps_different
      |             1~~~~~~~~~~~~~~~~~~
Warning: Unused variable ‘are_zgrps_different’ declared at (1) [-Wunused-variable]
../src/reactor.f90:451:13:
  451 |   integer:: i
      |             1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/reactor.f90:546:38:
  546 |   type(zgrp), dimension(zgrps_dim):: sorted_zgrps
      |                                      1~~~~~~~~~~~
Warning: Unused variable ‘sorted_zgrps’ declared at (1) [-Wunused-variable]
../src/reactor.f90:57:13:
   57 |   integer:: lineCount              ! <-- nl
      |             1~~~~~~~~
Warning: Unused variable ‘linecount’ declared at (1) [-Wunused-variable]
../src/reactor.f90: In function ‘collectproducts_’:
../src/reactor.f90:822:14: warning: ‘natiso’ may be used uninitialized [-Wmaybe-uninitialized]
  822 |            if(nats(i).ne.natiso) taken(i)=.false.
      |              ^
../src/reactor.f90:770:16: note: ‘natiso’ was declared here
  770 |     integer :: natiso
      |                ^~~~~~
[79/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_zsort.f90.o -c ../src/zsort.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/zsort.f90:378:49:
  378 |          write(filename,'("zmatrix",i0,".zmat")'),molnum
      |                                                 1
Warning: Legacy Extension: Comma before i/o item list at (1)
../src/zsort.f90:352:18:
  352 |       logical :: ex
      |                  1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/zsort.f90:278:15:
  278 |       logical considered(nat)
      |               1~~~~~~~~~~~~~~
Warning: Unused variable ‘considered’ declared at (1) [-Wunused-variable]
../src/zsort.f90:276:17:
  276 |       integer i,j,k,l,oldpos,mode
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/zsort.f90:276:19:
  276 |       integer i,j,k,l,oldpos,mode
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/zsort.f90:276:21:
  276 |       integer i,j,k,l,oldpos,mode
      |                     1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/zsort.f90:276:30:
  276 |       integer i,j,k,l,oldpos,mode
      |                              1~~~
Warning: Unused variable ‘mode’ declared at (1) [-Wunused-variable]
../src/zsort.f90:210:25:
  210 |       real*8 xyz(3,nat),cntmp,cn(nat),bond(nat,nat)
      |                         1~~~~
Warning: Unused variable ‘cntmp’ declared at (1) [-Wunused-variable]
../src/zsort.f90:26:27:
   26 |       real*8,allocatable::cn(:),tmp(:,:),tmpgeo(:,:)
      |                           1~~~~
Warning: Unused variable ‘cn’ declared at (1) [-Wunused-variable]
../src/zsort.f90:34:24:
   34 |       integer :: i1,i2,fail,try,zmatcnt,zmatstart
      |                        1~~~
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../src/zsort.f90:36:27:
   36 |       character(len=80) ::fname
      |                           1~~~~
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/zsort.f90:34:18:
   34 |       integer :: i1,i2,fail,try,zmatcnt,zmatstart
      |                  1~
Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable]
../src/zsort.f90:34:21:
   34 |       integer :: i1,i2,fail,try,zmatcnt,zmatstart
      |                     1~
Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable]
../src/zsort.f90:33:24:
   33 |       integer :: i,j,k,l,nn,nmol,refmol
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/zsort.f90:34:29:
   34 |       integer :: i1,i2,fail,try,zmatcnt,zmatstart
      |                             1~~
Warning: Unused variable ‘try’ declared at (1) [-Wunused-variable]
[80/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_stereoisomers.f90.o -c ../src/stereoisomers.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/stereoisomers.f90:580:29:
  580 |      integer,allocatable :: at(:)
      |                             1~~~~
Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:581:29:
  581 |      integer,allocatable :: dumarray(:)
      |                             1~~~~~~~~~~
Warning: Unused variable ‘dumarray’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:584:21:
  584 |      integer :: nat,nall
      |                     1~~~
Warning: Unused variable ‘nall’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:590:17:
  590 |      integer :: nstereomers
      |                 1~~~~~~~~~~
Warning: Unused variable ‘nstereomers’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:579:30:
  579 |      real(wp),allocatable :: xyz(:,:),xyzdum(:,:)
      |                              1~~~~~~~
Warning: Unused variable ‘xyz’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:579:39:
  579 |      real(wp),allocatable :: xyz(:,:),xyzdum(:,:)
      |                                       1~~~~~~~~~~
Warning: Unused variable ‘xyzdum’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:983:24:
  983 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:1050:18:
 1050 |       integer :: i,r,l,ich,io
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:1050:24:
 1050 |       integer :: i,r,l,ich,io
      |                        1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:1051:38:
 1051 |       character(len=512) :: thispath,tmppath
      |                                      1~~~~~~
Warning: Unused variable ‘tmppath’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:756:23:
  756 |      integer :: j,k,l,m
      |                       1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:858:17:
  858 |      integer :: j,k,l
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:858:21:
  858 |      integer :: j,k,l
      |                     1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:84:20:
   84 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:84:24:
   84 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:228:31:
  228 |       real(wp),allocatable :: polar(:,:)
      |                               1~~~~~~~~~
Warning: Unused variable ‘polar’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:319:18:
  319 |       integer :: n1,n2
      |                  1~
Warning: Unused variable ‘n1’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:319:21:
  319 |       integer :: n1,n2
      |                     1~
Warning: Unused variable ‘n2’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:552:20:
  552 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:552:22:
  552 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:552:24:
  552 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:544:27:
  544 | subroutine arrprio(n,narr,m,marr,pri)
      |                           1
Warning: Unused dummy argument ‘m’ at (1) [-Wunused-dummy-argument]
../src/stereoisomers.f90:551:30:
  551 |       logical,allocatable :: mask(:)
      |                              1~~~~~~
Warning: Unused variable ‘mask’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:437:20:
  437 |       integer :: j,m,n,dummy
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:437:22:
  437 |       integer :: j,m,n,dummy
      |                      1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:477:24:
  477 |       integer :: p,q,r,t
      |                        1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:135:22:
  135 |       integer :: k,l,m
      |                      1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:128:18:
  128 |       integer :: nat
      |                  1~~
Warning: Unused variable ‘nat’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:130:25:
  130 |       type(zatom) :: za,zb
      |                         1~
Warning: Unused variable ‘zb’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90:25:28:
   25 | subroutine stereoisomerize(env,tim)
      |                            1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/stereoisomers.f90:915:24:
  915 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/stereoisomers.f90: In function ‘rors_’:
../src/stereoisomers.f90:252:26: warning: ‘MEM <vector(2) real(kind=8)> [(real(kind=8) *)_35]’ may be used uninitialized [-Wmaybe-uninitialized]
  252 |       uec(1) = coords(1,1)
      |                          ^
../src/stereoisomers.f90:265:23: warning: ‘MEM <real(kind=8)[0:]> [(real(kind=8)[0:] *)_35][2]’ may be used uninitialized [-Wmaybe-uninitialized]
  265 |       uec = coords(:,1)
      |                       ^
[81/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_propcalc.f90.o -c ../src/propcalc.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/propcalc.f90:627:22:
  627 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:627:24:
  627 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:663:20:
  663 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:663:22:
  663 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:663:24:
  663 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:911:18:
  911 |       integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:911:20:
  911 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:911:24:
  911 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:517:43:
  517 |       character(len=256) :: tmpname,oname,ctmp
      |                                           1~~~
Warning: Unused variable ‘ctmp’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:517:37:
  517 |       character(len=256) :: tmpname,oname,ctmp
      |                                     1~~~~
Warning: Unused variable ‘oname’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:518:50:
  518 |       character(len=512) :: str,thispath,tmppath,optpath
      |                                                  1~~~~~~
Warning: Unused variable ‘optpath’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:518:29:
  518 |       character(len=512) :: str,thispath,tmppath,optpath
      |                             1~~
Warning: Unused variable ‘str’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:518:33:
  518 |       character(len=512) :: str,thispath,tmppath,optpath
      |                                 1~~~~~~~
Warning: Unused variable ‘thispath’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:517:29:
  517 |       character(len=256) :: tmpname,oname,ctmp
      |                             1~~~~~~
Warning: Unused variable ‘tmpname’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:64:18:
   64 |       integer :: ACTIVE,DONE,vz,TMPCONF
      |                  1~~~~~
Warning: Unused variable ‘active’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:86:28:
   86 |       character(len=52) :: bar
      |                            1~~
Warning: Unused variable ‘bar’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:64:25:
   64 |       integer :: ACTIVE,DONE,vz,TMPCONF
      |                         1~~~
Warning: Unused variable ‘done’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:66:18:
   66 |       integer :: fileid,ich
      |                  1~~~~~
Warning: Unused variable ‘fileid’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:98:24:
   98 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                        1~~
Warning: Unused variable ‘fin’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:63:20:
   63 |       integer :: i,j,k,l,m,n,r,ii
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:63:24:
   63 |       integer :: i,j,k,l,m,n,r,ii
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:98:18:
   98 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                  1~
Warning: Unused variable ‘l1’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:98:21:
   98 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                     1~
Warning: Unused variable ‘l2’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:103:19:
  103 |       real(wp) :: lev
      |                   1~~
Warning: Unused variable ‘lev’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:63:26:
   63 |       integer :: i,j,k,l,m,n,r,ii
      |                          1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:98:38:
   98 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                                      1~~
Warning: Unused variable ‘mop’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:63:28:
   63 |       integer :: i,j,k,l,m,n,r,ii
      |                            1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:98:49:
   98 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                                                 1~~~~
Warning: Unused variable ‘notok’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:83:37:
   83 |       character(len=256) :: tmpname,oname,ctmp
      |                                     1~~~~
Warning: Unused variable ‘oname’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:81:28:
   81 |       character(len=20) :: optl,pipe
      |                            1~~~
Warning: Unused variable ‘optl’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:98:32:
   98 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                                1~~~~
Warning: Unused variable ‘optok’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:89:19:
   89 |       real(wp) :: percent
      |                   1~~~~~~
Warning: Unused variable ‘percent’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:98:28:
   98 |       logical :: l1,l2,fin,run,optok,mop,update,notok
      |                            1~~
Warning: Unused variable ‘run’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:97:18:
   97 |       logical :: setoptlev,ex
      |                  1~~~~~~~~
Warning: Unused variable ‘setoptlev’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:83:29:
   83 |       character(len=256) :: tmpname,oname,ctmp
      |                             1~~~~~~
Warning: Unused variable ‘tmpname’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:64:30:
   64 |       integer :: ACTIVE,DONE,vz,TMPCONF
      |                              1~
Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:565:29:
  565 | subroutine etotprop(TMPCONF,env,pop,pr)
      |                             1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/propcalc.f90:579:20:
  579 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:579:22:
  579 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:579:24:
  579 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:691:18:
  691 |       logical :: ex
      |                  1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:692:20:
  692 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:692:22:
  692 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:692:24:
  692 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/propcalc.f90:690:29:
  690 |       character(len=512) :: tmppath
      |                             1~~~~~~
Warning: Unused variable ‘tmppath’ declared at (1) [-Wunused-variable]
[82/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_confparse.f90.o -c ../src/confparse.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/confparse.f90:2043:60:
 2043 |     cfiles(4) = env%constraints  !for user-set option (todo)
      |                                                            1
Warning: CHARACTER expression will be truncated in assignment (256/512) at (1) [-Wcharacter-truncation]
../src/confparse.f90:2022:26:
 2022 |   integer :: i,j,k,l,fil,bb
      |                          1~
Warning: Unused variable ‘bb’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2022:22:
 2022 |   integer :: i,j,k,l,fil,bb
      |                      1~~
Warning: Unused variable ‘fil’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2027:15:
 2027 |   real(wp) :: floats(10)
      |               1~~~~~~~~~
Warning: Unused variable ‘floats’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2023:21:
 2023 |   integer :: imd,io,ich
      |                     1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2023:14:
 2023 |   integer :: imd,io,ich
      |              1~~
Warning: Unused variable ‘imd’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2023:18:
 2023 |   integer :: imd,io,ich
      |                  1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2022:20:
 2022 |   integer :: i,j,k,l,fil,bb
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2212:16:
 2212 |   integer :: i,j,k,l
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2212:18:
 2212 |   integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2212:20:
 2212 |   integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2301:16:
 2301 |   integer :: i,j,k,l
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2301:18:
 2301 |   integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/confparse.f90:2301:20:
 2301 |   integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/confparse.f90:61:17:
   61 |   integer :: cs,cf,slength
      |                 1~
Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable]
../src/confparse.f90:61:14:
   61 |   integer :: cs,cf,slength
      |              1~
Warning: Unused variable ‘cs’ declared at (1) [-Wunused-variable]
../src/confparse.f90:63:23:
   63 |   logical :: parse,ex,ex2,fg,bondconst
      |                       1~~
Warning: Unused variable ‘ex2’ declared at (1) [-Wunused-variable]
../src/confparse.f90:63:27:
   63 |   logical :: parse,ex,ex2,fg,bondconst
      |                           1~
Warning: Unused variable ‘fg’ declared at (1) [-Wunused-variable]
../src/confparse.f90:60:26:
   60 |   integer,allocatable :: intdum(:)
      |                          1~~~~~~~~
Warning: Unused variable ‘intdum’ declared at (1) [-Wunused-variable]
../src/confparse.f90:63:14:
   63 |   logical :: parse,ex,ex2,fg,bondconst
      |              1~~~~
Warning: Unused variable ‘parse’ declared at (1) [-Wunused-variable]
../src/confparse.f90:61:20:
   61 |   integer :: cs,cf,slength
      |                    1~~~~~~
Warning: Unused variable ‘slength’ declared at (1) [-Wunused-variable]
../src/confparse.f90:58:18:
   58 |   integer*8 :: w,v
      |                  1
Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable]
../src/confparse.f90:58:16:
   58 |   integer*8 :: w,v
      |                1
Warning: Unused variable ‘w’ declared at (1) [-Wunused-variable]
../src/confparse.f90: In function ‘inputcoords_qcg_’:
../src/confparse.f90:2438:30: warning: ‘.inputfile’ may be used uninitialized [-Wmaybe-uninitialized]
 2438 | end subroutine inputcoords_qcg
      |                              ^
../src/confparse.f90:2195:6: note: ‘.inputfile’ was declared here
 2195 |   use crest_data
      |      ^
[83/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_tautomerize.f90.o -c ../src/tautomerize.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/tautomerize.f90:425:18:
  425 |       logical :: ex,niceprint
      |                  1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:408:18:
  408 |       integer :: iz1,iz2
      |                  1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:408:22:
  408 |       integer :: iz1,iz2
      |                      1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:410:20:
  410 |       integer :: i,j,k,l,r
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:410:24:
  410 |       integer :: i,j,k,l,r
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:417:29:
  417 |       character(len=64)  :: protname
      |                             1~~~~~~~
Warning: Unused variable ‘protname’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:421:29:
  421 |       character(len=80)  :: solv
      |                             1~~~
Warning: Unused variable ‘solv’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:306:18:
  306 |       logical :: ex
      |                  1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:296:18:
  296 |       integer :: iz1,iz2
      |                  1~~
Warning: Unused variable ‘iz1’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:296:22:
  296 |       integer :: iz1,iz2
      |                      1~~
Warning: Unused variable ‘iz2’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:295:22:
  295 |       integer :: ich,natp,nallout
      |                      1~~~
Warning: Unused variable ‘natp’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:205:29:
  205 |       character(len=32)  :: dirn
      |                             1~~~
Warning: Unused variable ‘dirn’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:56:24:
   56 |       integer :: ich,i,j,k,l
      |                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:56:26:
   56 |       integer :: ich,i,j,k,l
      |                          1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:56:28:
   56 |       integer :: ich,i,j,k,l
      |                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:699:24:
  699 |       integer :: ich,i,j,k,l
      |                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:699:26:
  699 |       integer :: ich,i,j,k,l
      |                          1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90:699:28:
  699 |       integer :: ich,i,j,k,l
      |                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/tautomerize.f90: In function ‘tautomerize_blacklist_’:
../src/tautomerize.f90:635:14: warning: ‘at.offset’ may be used uninitialized [-Wmaybe-uninitialized]
  635 |            if(at(i) == 1)then
      |              ^
../src/tautomerize.f90:598:29: note: ‘at.offset’ was declared here
  598 |      integer,allocatable :: at(:)
      |                             ^~~~~
[84/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_ztopology.f90.o -c ../src/ztopology.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ztopology.f90:743:39:
  743 |       integer :: molcnt,molvec(nat),j,iat(nat),k
      |                                       1~~~~~~~
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:743:48:
  743 |       integer :: molcnt,molvec(nat),j,iat(nat),k
      |                                                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:284:20:
  284 |       integer :: i,j,k1
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:139:18:
  139 |      real(wp) :: dummy
      |                  1~~~~
Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:140:23:
  140 |      integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:145:27:
  145 |      character(len=10) :: numchar
      |                           1~~~~~~
Warning: Unused variable ‘numchar’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:946:20:
  946 |       integer :: k,l
      |                    1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:1011:26:
 1011 |       integer :: i,j,l,q,m,n
      |                          1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:1011:28:
 1011 |       integer :: i,j,l,q,m,n
      |                            1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:1005:25:
 1005 |       type(zatom) :: za,zb
      |                         1~
Warning: Unused variable ‘zb’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:1143:23:
 1143 |       logical :: ring,dumreset
      |                       1~~~~~~~
Warning: Unused variable ‘dumreset’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:1134:23:
 1134 |       integer :: nref,iref,nmax
      |                       1~~~
Warning: Unused variable ‘iref’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:1134:28:
 1134 |       integer :: nref,iref,nmax
      |                            1~~~
Warning: Unused variable ‘nmax’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:1137:20:
 1137 |       integer :: p,q
      |                    1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:693:19:
  693 |       real(wp) :: wbothr
      |                   1~~~~~
Warning: Unused variable ‘wbothr’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:494:30:
  494 |       type(zatom)         :: zat    !--- "zat" is the complex datatype object for atom i
      |                              1~~
Warning: Unused variable ‘zat’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:552:18:
  552 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:552:20:
  552 |     integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:552:22:
  552 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:720:45:
  720 |       integer :: nat,molvec(nat),i,molcount,at(nat)
      |                                             1~~~~~~
Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:768:22:
  768 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:768:24:
  768 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:797:18:
  797 |       integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:797:20:
  797 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:797:22:
  797 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:797:24:
  797 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:825:20:
  825 |       integer :: i,j
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/ztopology.f90:881:30:
  881 |       logical,allocatable :: taken(:)
      |                              1~~~~~~~
Warning: Unused variable ‘taken’ declared at (1) [-Wunused-variable]
[85/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_qcg_solvtool.f90.o -c ../src/qcg/solvtool.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/qcg/solvtool.f90:3154:18:
 3154 |   prog=env%ProgIFF
      |                  1
Warning: CHARACTER expression will be truncated in assignment (256/512) at (1) [-Wcharacter-truncation]
../src/qcg/solvtool.f90:2516:7:
 2516 |      x=x*r1(1)/rr
      |       1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/qcg/solvtool.f90:2517:7:
 2517 |      y=y*r1(2)/rr
      |       1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/qcg/solvtool.f90:2518:7:
 2518 |      z=z*r1(3)/rr
      |       1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/qcg/solvtool.f90:2558:7:
 2558 |      x=x*r1(1)/rr
      |       1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/qcg/solvtool.f90:2559:7:
 2559 |      y=y*r1(2)/rr
      |       1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/qcg/solvtool.f90:2560:7:
 2560 |      z=z*r1(3)/rr
      |       1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/qcg/solvtool.f90:2575:7:
 2575 |      x=x*r2(1)/rr
      |       1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/qcg/solvtool.f90:2576:7:
 2576 |      y=y*r2(2)/rr
      |       1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/qcg/solvtool.f90:2577:7:
 2577 |      z=z*r2(3)/rr
      |       1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/qcg/solvtool.f90:1241:32:
 1241 |   call sort_ensemble(ens,ens%er,'full_ensemble.xyz')
      |                                1
Warning: Character length of actual argument shorter than of dummy argument ‘fname’ (17/30) at (1)
../src/qcg/solvtool.f90:89:67:
   89 |     call qcg_ensemble(env,solute,solvent,cluster,full_ensemble,tim,'ensemble')
      |                                                                   1
Warning: Character length of actual argument shorter than of dummy argument ‘fname_results’ (8/80) at (1)
../src/qcg/solvtool.f90:110:72:
  110 |       call qcg_ensemble(env,solute,solvent,cluster,solvent_ensemble,tim,'solvent_ensemble')
      |                                                                        1
Warning: Character length of actual argument shorter than of dummy argument ‘fname_results’ (16/80) at (1)
../src/qcg/solvtool.f90:2062:42:
 2062 |   character(len=512)         :: thispath,resultspath
      |                                          1~~~~~~~~~~
Warning: Unused variable ‘resultspath’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2679:38:
 2679 |   integer                         :: i,j,jmin
      |                                      1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2687:38:
 2687 |   real(wp)                        :: md     ! mean deviation
      |                                      1~
Warning: Unused variable ‘md’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2686:38:
 2686 |   real(wp)                        :: mv     ! mean value
      |                                      1~
Warning: Unused variable ‘mv’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2688:38:
 2688 |   real(wp)                        :: sd     ! standard deviation
      |                                      1~
Warning: Unused variable ‘sd’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:771:39:
  771 |   real(wp)                   :: S,H,G,e_average,dens,shr,shr_av
      |                                       1~~~~~~~~
Warning: Unused variable ‘e_average’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:767:33:
  767 |   logical                    :: g_found, ex, mdfail,e_there
      |                                 1~~~~~~
Warning: Unused variable ‘g_found’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:773:41:
  773 |   real(wp)                   :: newtemp,newmass,newmdtime,newmdstep, newhmass
      |                                         1~~~~~~
Warning: Unused variable ‘newmass’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1385:33:
 1385 |   real(wp), allocatable      :: e_clus(:), e_empty(:), inner_ell_abc(:,:)
      |                                 1~~~~~~~~
Warning: Unused variable ‘e_clus’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1373:36:
 1373 |   integer                    :: io,f,r,ich
      |                                    1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1399:33:
 1399 |   logical                    :: found, ex,skip, e_there
      |                                 1~~~~
Warning: Unused variable ‘found’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1373:40:
 1373 |   integer                    :: io,f,r,ich
      |                                        1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1402:70:
 1402 |   real(wp)                   :: newtemp,newmass,newmdtime,newmdstep, newhmass
      |                                                                      1~~~~~~~
Warning: Unused variable ‘newhmass’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1402:41:
 1402 |   real(wp)                   :: newtemp,newmass,newmdtime,newmdstep, newhmass
      |                                         1~~~~~~
Warning: Unused variable ‘newmass’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1402:59:
 1402 |   real(wp)                   :: newtemp,newmass,newmdtime,newmdstep, newhmass
      |                                                           1~~~~~~~~
Warning: Unused variable ‘newmdstep’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1402:49:
 1402 |   real(wp)                   :: newtemp,newmass,newmdtime,newmdstep, newhmass
      |                                                 1~~~~~~~~
Warning: Unused variable ‘newmdtime’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1403:47:
 1403 |   real(wp)                   :: newmetadlist, newmetadexp, newmetadfac
      |                                               1~~~~~~~~~~
Warning: Unused variable ‘newmetadexp’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1403:60:
 1403 |   real(wp)                   :: newmetadlist, newmetadexp, newmetadfac
      |                                                            1~~~~~~~~~~
Warning: Unused variable ‘newmetadfac’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1403:33:
 1403 |   real(wp)                   :: newmetadlist, newmetadexp, newmetadfac
      |                                 1~~~~~~~~~~~
Warning: Unused variable ‘newmetadlist’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1402:33:
 1402 |   real(wp)                   :: newtemp,newmass,newmdtime,newmdstep, newhmass
      |                                 1~~~~~~
Warning: Unused variable ‘newtemp’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:1382:33:
 1382 |   character(len=512)         :: scratchdir_tmp
      |                                 1~~~~~~~~~~~~~
Warning: Unused variable ‘scratchdir_tmp’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2255:13:
 2255 |   integer i,j,k
      |             1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2255:15:
 2255 |   integer i,j,k
      |               1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2778:30:
 2778 |   integer               :: i,j,m,n21
      |                              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2354:25:
 2354 |   real(wp)           :: ell_solu(3), ell_solv(3)
      |                         1~~~~~~~~~~
Warning: Unused variable ‘ell_solu’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2354:38:
 2354 |   real(wp)           :: ell_solu(3), ell_solv(3)
      |                                      1~~~~~~~~~~
Warning: Unused variable ‘ell_solv’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:401:33:
  401 |   integer                    :: ich,ios,ios2
      |                                 1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:401:37:
  401 |   integer                    :: ich,ios,ios2
      |                                     1~~
Warning: Unused variable ‘ios’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:401:41:
  401 |   integer                    :: ich,ios,ios2
      |                                         1~~~
Warning: Unused variable ‘ios2’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:416:56:
  416 |   character(len=512)         :: thispath, resultspath, tmp
      |                                                        1~~
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2534:25:
 2534 |   real(wp)           :: dum(3)
      |                         1~~~~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2532:27:
 2532 |   integer            :: i,j
      |                           1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2535:25:
 2535 |   real(wp)           :: rx,ry,rz
      |                         1~
Warning: Unused variable ‘rx’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2535:28:
 2535 |   real(wp)           :: rx,ry,rz
      |                            1~
Warning: Unused variable ‘ry’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2535:31:
 2535 |   real(wp)           :: rx,ry,rz
      |                               1~
Warning: Unused variable ‘rz’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2492:25:
 2492 |   real(wp)           :: dum(3)
      |                         1~~~~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2490:27:
 2490 |   integer            :: i,j
      |                           1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2493:25:
 2493 |   real(wp)           :: rx,ry,rz
      |                         1~
Warning: Unused variable ‘rx’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2493:28:
 2493 |   real(wp)           :: rx,ry,rz
      |                            1~
Warning: Unused variable ‘ry’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2493:31:
 2493 |   real(wp)           :: rx,ry,rz
      |                               1~
Warning: Unused variable ‘rz’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2597:34:
 2597 |   type(zmolecule)             :: dummy
      |                                  1~~~~
Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2598:34:
 2598 |   character (len=10)          :: fname
      |                                  1~~~~
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2965:38:
 2965 |   integer                    :: r,io,f,g,h
      |                                      1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2965:40:
 2965 |   integer                    :: r,io,f,g,h
      |                                        1
Warning: Unused variable ‘g’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2965:42:
 2965 |   integer                    :: r,io,f,g,h
      |                                          1
Warning: Unused variable ‘h’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2965:35:
 2965 |   integer                    :: r,io,f,g,h
      |                                   1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2965:33:
 2965 |   integer                    :: r,io,f,g,h
      |                                 1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2967:42:
 2967 |   character(len=512)         :: thispath,resultspath,tmppath,tmppath2
      |                                          1~~~~~~~~~~
Warning: Unused variable ‘resultspath’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2967:54:
 2967 |   character(len=512)         :: thispath,resultspath,tmppath,tmppath2
      |                                                      1~~~~~~
Warning: Unused variable ‘tmppath’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2967:62:
 2967 |   character(len=512)         :: thispath,resultspath,tmppath,tmppath2
      |                                                              1~~~~~~~
Warning: Unused variable ‘tmppath2’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2968:33:
 2968 |   character(len=80)          :: to
      |                                 1~
Warning: Unused variable ‘to’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:163:45:
  163 |   character(len=512) :: thispath, tmp_grow, printout
      |                                             1~~~~~~~
Warning: Unused variable ‘printout’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90:2311:25:
 2311 | subroutine cma_shifting(env,solu,solv)
      |                         1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/qcg/solvtool.f90:39:14:
   39 |   integer :: io
      |              1~
Warning: Unused variable ‘io’ declared at (1) [-Wunused-variable]
../src/qcg/solvtool.f90: In function ‘fill_take_’:
../src/qcg/solvtool.f90:2787:8: warning: ‘dist.dim[0].ubound’ is used uninitialized [-Wuninitialized]
 2787 |   dist=0
      |        ^
../src/qcg/solvtool.f90:2785:28: note: ‘dist’ declared here
 2785 |   real(wp),allocatable  :: dist(:)
      |                            ^~~~~~~
../src/qcg/solvtool.f90:2787:8: warning: ‘dist.dim[0].lbound’ is used uninitialized [-Wuninitialized]
 2787 |   dist=0
      |        ^
../src/qcg/solvtool.f90:2785:28: note: ‘dist’ declared here
 2785 |   real(wp),allocatable  :: dist(:)
      |                            ^~~~~~~
../src/qcg/solvtool.f90:2787:8: warning: ‘dist.dim[0].ubound’ is used uninitialized [-Wuninitialized]
 2787 |   dist=0
      |        ^
../src/qcg/solvtool.f90:2785:28: note: ‘dist.dim[0].ubound’ was declared here
 2785 |   real(wp),allocatable  :: dist(:)
      |                            ^~~~~~~
../src/qcg/solvtool.f90:2787:8: warning: ‘dist.dim[0].lbound’ is used uninitialized [-Wuninitialized]
 2787 |   dist=0
      |        ^
../src/qcg/solvtool.f90:2785:28: note: ‘dist.dim[0].lbound’ was declared here
 2785 |   real(wp),allocatable  :: dist(:)
      |                            ^~~~~~~
../src/qcg/solvtool.f90: In function ‘qcg_ensemble_’:
../src/qcg/solvtool.f90:1344:35: warning: ‘cbonds_tmp’ may be used uninitialized [-Wmaybe-uninitialized]
 1344 |      env%cts%cbonds_md = cbonds_tmp
      |                                   ^
../src/qcg/solvtool.f90:768:47: note: ‘cbonds_tmp’ was declared here
  768 |   logical                    :: checkiso_tmp, cbonds_tmp
      |                                               ^~~~~~~~~~
../src/qcg/solvtool.f90:1345:32: warning: ‘checkiso_tmp’ may be used uninitialized [-Wmaybe-uninitialized]
 1345 |      env%checkiso = checkiso_tmp
      |                                ^
../src/qcg/solvtool.f90:768:33: note: ‘checkiso_tmp’ was declared here
  768 |   logical                    :: checkiso_tmp, cbonds_tmp
      |                                 ^~~~~~~~~~~~
[86/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_thermocalc.f90.o -c ../src/thermocalc.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/thermocalc.f90:313:29:
  313 |     real(wp),allocatable :: inten(:)
      |                             1~~~~~~~
Warning: Unused variable ‘inten’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:301:18:
  301 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:301:20:
  301 |     integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:301:22:
  301 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:314:33:
  314 |     real(wp) :: ithr,fscal,sthr,temp
      |                                 1~~~
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:154:17:
  154 |     real(wp) :: diff,dum
      |                 1~~~
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:154:22:
  154 |     real(wp) :: diff,dum
      |                      1~~
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:153:19:
  153 |     integer :: n3,isthr,rt
      |                   1~~~~
Warning: Unused variable ‘isthr’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:152:20:
  152 |     integer :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:150:29:
  150 |     real(wp),allocatable :: tmp(:)
      |                             1~~~~~
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:422:18:
  422 |       integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:422:20:
  422 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/thermocalc.f90:422:24:
  422 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[87/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_newcregen.f90.o -c ../src/newcregen.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/newcregen.f90:1232:30:
 1232 |                 rmat(klong) = min(rdum,rdum2)
      |                              1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/newcregen.f90:1261:30:
 1261 |                 rmat(klong) = min(rdum,rdum2)
      |                              1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/newcregen.f90:1289:30:
 1289 |                 rmat(klong) = min(rdum,rdum2)
      |                              1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/newcregen.f90:1646:30:
 1646 |                 rmat(klong) = min(rdum,rdum2)
      |                              1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/newcregen.f90:1676:30:
 1676 |                 rmat(klong) = min(rdum,rdum2)
      |                              1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/newcregen.f90:1859:37:
 1859 |     integer :: m,m1,m2,s1,s2,iat,j1,j2,k2
      |                                     1~
Warning: Unused variable ‘j2’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2969:17:
 2969 |     real(wp) :: dE
      |                 1~
Warning: Unused variable ‘de’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2756:22:
 2756 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2740:30:
 2740 | subroutine cregen_pr2(ch,env,nat,nall,comments,ng,degen,er)
      |                              1~~
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:2754:27:
 2754 |     character(len=128) :: newcomment
      |                           1~~~~~~~~~
Warning: Unused variable ‘newcomment’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2623:28:
 2623 |      character(len=128) :: atmp
      |                            1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2609:43:
 2609 | subroutine cregen_bonusfiles(env,nat,nall,comments,ng,degen)
      |                                           1~~~~~~~
Warning: Unused dummy argument ‘comments’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:2609:30:
 2609 | subroutine cregen_bonusfiles(env,nat,nall,comments,ng,degen)
      |                              1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:2620:21:
 2620 |      integer :: ich,ich3
      |                     1~~~
Warning: Unused variable ‘ich3’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2619:19:
 2619 |      integer :: i,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2609:34:
 2609 | subroutine cregen_bonusfiles(env,nat,nall,comments,ng,degen)
      |                                  1~~
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:2621:29:
 2621 |      integer,allocatable :: timetag(:)
      |                             1~~~~~~~~~
Warning: Unused variable ‘timetag’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2622:17:
 2622 |      logical :: ttag
      |                 1~~~
Warning: Unused variable ‘ttag’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2497:18:
 2497 |     integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2497:22:
 2497 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2548:29:
 2548 | subroutine cregen_rmsdalign(env,nat,nall,at,xyz)
      |                             1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:2560:16:
 2560 |     integer :: ich,ich3
      |                1~~
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2560:20:
 2560 |     integer :: ich,ich3
      |                    1~~~
Warning: Unused variable ‘ich3’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2561:22:
 2561 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1558:29:
 1558 |     real(wp),allocatable :: bond(:,:)
      |                             1~~~~~~~~
Warning: Unused variable ‘bond’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1531:45:
 1531 |     real(wp),allocatable :: c0(:,:),c1(:,:),cdum(:,:)
      |                                             1~~~~~~~~
Warning: Unused variable ‘cdum’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1559:29:
 1559 |     real(wp),allocatable :: cn(:)
      |                             1~~~~
Warning: Unused variable ‘cn’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1560:29:
 1560 |     real(wp),allocatable :: cref(:,:)
      |                             1~~~~~~~~
Warning: Unused variable ‘cref’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1561:17:
 1561 |     real(wp) :: ecrel
      |                 1~~~~
Warning: Unused variable ‘ecrel’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1528:20:
 1528 |     real(wp) :: de,emax
      |                    1~~~
Warning: Unused variable ‘emax’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1550:16:
 1550 |     logical :: equalrot,equalrotall !these are functions
      |                1~~~~~~~
Warning: Unused variable ‘equalrot’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1550:25:
 1550 |     logical :: equalrot,equalrotall !these are functions
      |                         1~~~~~~~~~~
Warning: Unused variable ‘equalrotall’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1551:29:
 1551 |     logical :: equalrotmean,equalrotallrel !these are functions
      |                             1~~~~~~~~~~~~~
Warning: Unused variable ‘equalrotallrel’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1551:16:
 1551 |     logical :: equalrotmean,equalrotallrel !these are functions
      |                1~~~~~~~~~~~
Warning: Unused variable ‘equalrotmean’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1530:28:
 1530 |     integer,allocatable :: includeRMSD(:)
      |                            1~~~~~~~~~~~~~
Warning: Unused variable ‘includermsd’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1563:22:
 1563 |     integer :: i,j,k,l,natnoh
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1557:29:
 1557 |     real(wp),allocatable :: rcov(:)
      |                             1~~~~~~
Warning: Unused variable ‘rcov’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1538:17:
 1538 |     real(wp) :: rotdum(3),bdum
      |                 1~~~~~~~~
Warning: Unused variable ‘rotdum’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1535:16:
 1535 |     logical :: substruc
      |                1~~~~~~~
Warning: Unused variable ‘substruc’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2700:20:
 2700 |     integer :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2413:20:
 2413 |       integer :: i,j,k
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2246:47:
 2246 | subroutine cregen_repairorder(ch,env,nat,nall,at,xyz,comments,group)
      |                                               1~
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:2262:26:
 2262 |     character(len=40) :: atmp
      |                          1~~~
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2246:31:
 2246 | subroutine cregen_repairorder(ch,env,nat,nall,at,xyz,comments,group)
      |                               1~
Warning: Unused dummy argument ‘ch’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:2246:34:
 2246 | subroutine cregen_repairorder(ch,env,nat,nall,at,xyz,comments,group)
      |                                  1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:2357:20:
 2357 |   integer :: i, j, ii
      |                    1~
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1098:29:
 1098 |     real(wp),allocatable :: bond(:,:)
      |                             1~~~~~~~~
Warning: Unused variable ‘bond’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1099:29:
 1099 |     real(wp),allocatable :: cn(:)
      |                             1~~~~
Warning: Unused variable ‘cn’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1094:24:
 1094 |     real(wp) :: couthr,courel
      |                        1~~~~~
Warning: Unused variable ‘courel’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1100:29:
 1100 |     real(wp),allocatable :: cref(:,:)
      |                             1~~~~~~~~
Warning: Unused variable ‘cref’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1101:17:
 1101 |     real(wp) :: ecrel
      |                 1~~~~
Warning: Unused variable ‘ecrel’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1068:20:
 1068 |     real(wp) :: de,emax
      |                    1~~~
Warning: Unused variable ‘emax’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1090:16:
 1090 |     logical :: equalrot,equalrotall !these are functions
      |                1~~~~~~~
Warning: Unused variable ‘equalrot’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1090:25:
 1090 |     logical :: equalrot,equalrotall !these are functions
      |                         1~~~~~~~~~~
Warning: Unused variable ‘equalrotall’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1091:29:
 1091 |     logical :: equalrotmean,equalrotallrel !these are functions
      |                             1~~~~~~~~~~~~~
Warning: Unused variable ‘equalrotallrel’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1091:16:
 1091 |     logical :: equalrotmean,equalrotallrel !these are functions
      |                1~~~~~~~~~~~
Warning: Unused variable ‘equalrotmean’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1097:29:
 1097 |     real(wp),allocatable :: rcov(:)
      |                             1~~~~~~
Warning: Unused variable ‘rcov’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2394:20:
 2394 |       integer :: i,j,k
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:919:30:
  919 |     subroutine ezccdihed(nat,at,xyz,ncc,ezat,ezdihed)
      |                              1~
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:927:21:
  927 |        integer :: i,j,k,l
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:927:25:
  927 |        integer :: i,j,k,l
      |                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:835:19:
  835 |        integer :: i,j,k,l
      |                   1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:835:21:
  835 |        integer :: i,j,k,l
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:835:23:
  835 |        integer :: i,j,k,l
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:681:29:
  681 |     integer,allocatable  :: at0(:),atdum(:)
      |                             1~~~~~
Warning: Unused variable ‘at0’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:687:16:
  687 |     integer :: frag,frag0
      |                1~~~
Warning: Unused variable ‘frag’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:687:21:
  687 |     integer :: frag,frag0
      |                     1~~~~
Warning: Unused variable ‘frag0’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:688:16:
  688 |     integer :: i,j,k,l
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:688:20:
  688 |     integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:679:16:
  679 |     integer :: nat0
      |                1~~~
Warning: Unused variable ‘nat0’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:562:16:
  562 |     integer :: i,j,k
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:562:20:
  562 |     integer :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:485:29:
  485 | subroutine cregen_filldata2(env,simpleset,ewin)
      |                             1~~
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/newcregen.f90:57:31:
   57 |       real(wp),allocatable :: c0(:,:)
      |                               1~~~~~~
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:55:31:
   55 |       real(wp),allocatable :: eref(:)
      |                               1~~~~~~
Warning: Unused variable ‘eref’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:77:18:
   77 |       logical :: ex
      |                  1~
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:60:38:
   60 |       integer,allocatable :: gref(:),glist(:),group(:)
      |                                      1~~~~~~~
Warning: Unused variable ‘glist’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:64:18:
   64 |       integer :: i,j,k,l
      |                  1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:64:20:
   64 |       integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:64:22:
   64 |       integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:64:24:
   64 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:59:30:
   59 |       integer,allocatable :: order(:)
      |                              1~~~~~~~
Warning: Unused variable ‘order’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1460:24:
 1460 |         integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:1460:26:
 1460 |         integer :: i,j,k,l
      |                          1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2723:18:
 2723 |     integer :: i,j,k
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/newcregen.f90:2723:20:
 2723 |     integer :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/newcregen.f90: In function ‘cregen_pr2_’:
../src/newcregen.f90:2815:15: warning: ‘chref’ may be used uninitialized [-Wmaybe-uninitialized]
 2815 |        ch=chref
      |               ^
../src/newcregen.f90:2755:20: note: ‘chref’ was declared here
 2755 |     integer :: ich,chref
      |                    ^~~~~
[88/89] gfortran -Icrest.p -I. -I.. -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Jcrest.p -o crest.p/src_cregen.f90.o -c ../src/cregen.f90
f951: Warning: -D_FORTIFY_SOURCE not defined
f951: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/cregen.f90:505:30:
  505 |                 rmat(klong) = dum
      |                              1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/cregen.f90:529:29:
  529 |                rmat(klong) = dum
      |                             1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/cregen.f90:547:24:
  547 |             rmat(klong)=rotdiff(i,j,nall,rot)
      |                        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/cregen.f90:1337:24:
 1337 |       integer :: i,j,k,lin
      |                        1~~
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/cregen.f90:1450:24:
 1450 |       integer :: i,j,k,l
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/cregen.f90:1501:24:
 1501 |       integer :: i,j,k,l,t
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/cregen.f90:1317:20:
 1317 |       integer :: i,j,k
      |                    1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/cregen.f90:58:38:
   58 |       real(wp) :: ss,ethr,de,dr,bthr,aa
      |                                      1~
Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable]
../src/cregen.f90:79:38:
   79 |       character(len=80) :: atmp,btmp,ctmp,oname,fname,cname
      |                                      1~~~
Warning: Unused variable ‘ctmp’ declared at (1) [-Wunused-variable]
../src/cregen.f90:59:56:
   59 |       real(wp) :: elow,psum,ewin,pthr,eref,athr,r,dsum,dav
      |                                                        1~~
Warning: Unused variable ‘dav’ declared at (1) [-Wunused-variable]
../src/cregen.f90:60:23:
   60 |       real(wp) :: dum,distcma,esort
      |                       1~~~~~~
Warning: Unused variable ‘distcma’ declared at (1) [-Wunused-variable]
../src/cregen.f90:59:51:
   59 |       real(wp) :: elow,psum,ewin,pthr,eref,athr,r,dsum,dav
      |                                                   1~~~
Warning: Unused variable ‘dsum’ declared at (1) [-Wunused-variable]
../src/cregen.f90:84:30:
   84 |       logical :: exchok,fail,equalrot2
      |                              1~~~~~~~~
Warning: Unused variable ‘equalrot2’ declared at (1) [-Wunused-variable]
../src/cregen.f90:54:31:
   54 |       real(wp),allocatable :: ertag(:)
      |                               1~~~~~~~
Warning: Unused variable ‘ertag’ declared at (1) [-Wunused-variable]
../src/cregen.f90:84:18:
   84 |       logical :: exchok,fail,equalrot2
      |                  1~~~~~
Warning: Unused variable ‘exchok’ declared at (1) [-Wunused-variable]
../src/cregen.f90:70:48:
   70 |       integer :: kk,memb,irr,ir,nr,jj,nall_old,iig
      |                                                1~~
Warning: Unused variable ‘iig’ declared at (1) [-Wunused-variable]
../src/cregen.f90:69:53:
   69 |       integer :: molcount0,j1,iat,k2,molcount,m1end,imax
      |                                                     1~~~
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/cregen.f90:83:36:
   83 |       logical :: debug,heavy,l1,l2,l3,ex,newfile,anal,rmsdchk
      |                                    1~
Warning: Unused variable ‘l3’ declared at (1) [-Wunused-variable]
../src/cregen.f90:68:43:
   68 |       integer :: m1,m2,s1,s2,maxg,current,mm,mmm,ndoub
      |                                           1~
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/cregen.f90:68:46:
   68 |       integer :: m1,m2,s1,s2,maxg,current,mm,mmm,ndoub
      |                                              1~~
Warning: Unused variable ‘mmm’ declared at (1) [-Wunused-variable]
../src/cregen.f90:69:38:
   69 |       integer :: molcount0,j1,iat,k2,molcount,m1end,imax
      |                                      1~~~~~~~
Warning: Unused variable ‘molcount’ declared at (1) [-Wunused-variable]
../src/cregen.f90:67:47:
   67 |       integer :: i,j,k,l,m,nall,n,ig,ng,nall2,norig
      |                                               1~~~~
Warning: Unused variable ‘norig’ declared at (1) [-Wunused-variable]
../src/cregen.f90:47:38:
   47 |       integer,allocatable  :: jnd(:),perm(:),sames(:)
      |                                      1~~~~~~
Warning: Unused variable ‘perm’ declared at (1) [-Wunused-variable]
../src/cregen.f90:59:24:
   59 |       real(wp) :: elow,psum,ewin,pthr,eref,athr,r,dsum,dav
      |                        1~~~
Warning: Unused variable ‘psum’ declared at (1) [-Wunused-variable]
../src/cregen.f90:61:26:
   61 |       real(wp) :: rij(3),ri,rj,cnorm,erj
      |                          1~
Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable]
../src/cregen.f90:61:29:
   61 |       real(wp) :: rij(3),ri,rj,cnorm,erj
      |                             1~
Warning: Unused variable ‘rj’ declared at (1) [-Wunused-variable]
../src/cregen.f90: In function ‘repairentropic_’:
../src/cregen.f90:1516:28: warning: ‘dumorig.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized]
 1516 |       tmax=maxval(timetag,1)
      |                            ^
../src/cregen.f90:1507:40: note: ‘dumorig.dim[0].ubound’ was declared here
 1507 |       character(len=40),allocatable :: dumorig(:)
      |                                        ^~~~~~~~~~
../src/cregen.f90: In function ‘cregen2_’:
../src/cregen.f90:422:14: warning: ‘esort’ may be used uninitialized [-Wmaybe-uninitialized]
  422 |            if((er(i)-elow)*autokcal.gt.esort) goto 999
      |              ^
../src/cregen.f90:60:31: note: ‘esort’ was declared here
   60 |       real(wp) :: dum,distcma,esort
      |                               ^~~~~
../src/cregen.f90:388:24: warning: ‘origin.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized]
  388 |         origin=originnew
      |                        ^
../src/cregen.f90:52:40: note: ‘origin.dim[0].ubound’ was declared here
   52 |       character(len=40),allocatable :: origin(:),originnew(:)
      |                                        ^~~~~~~~~
[89/89] gfortran  -o crest crest.p/src_qcg_solvtool.f90.o crest.p/src_qcg_solvtool_misc.f90.o crest.p/src_qcg_volume.f90.o crest.p/src_acidbase.f90.o crest.p/src_atmasses.f90.o crest.p/src_axis_module.f90.o crest.p/src_biasmerge.f90.o crest.p/src_bondconstraint.f90.o crest.p/src_ccegen.f90.o crest.p/src_classes.f90.o crest.p/src_cleanup.f90.o crest.p/src_compress.f90.o crest.p/src_confcross.f90.o crest.p/src_confopt.f90.o crest.p/src_confparse.f90.o crest.p/src_confscript1.f90.o crest.p/src_confscript2_main.f90.o crest.p/src_confscript2_misc.f90.o crest.p/src_confscript3.f90.o crest.p/src_constraining.f90.o crest.p/src_cregen.f90.o crest.p/src_data.f90.o crest.p/src_deprotonate.f90.o crest.p/src_dft_propcalc.f90.o crest.p/src_ensemblecomp.f90.o crest.p/src_entropic.f90.o crest.p/src_entropy.f90.o crest.p/src_eval_timer.f90.o crest.p/src_filemod.f90.o crest.p/src_flexi.f90.o crest.p/src_floydwarshall.f90.o crest.p/src_freqmasses.f90.o crest.p/src_geo.f90.o crest.p/src_identifiers.f90.o crest.p/src_intmodes.f.o crest.p/src_io.f.o crest.p/src_iomod.F90.o crest.p/src_ligands.f90.o crest.p/src_ls_rmsd.f90.o crest.p/src_marqfit.f.o crest.p/src_minitools.f90.o crest.p/src_msmod.f90.o crest.p/src_msreact.f90.o crest.p/src_ncigeo.f90.o crest.p/src_neighbor.f.o crest.p/src_newcregen.f90.o crest.p/src_normmd.f90.o crest.p/src_ompmklset.F90.o crest.p/src_optinplace.f90.o crest.p/src_pka.f90.o crest.p/src_printouts.f90.o crest.p/src_prmat.f.o crest.p/src_progressbar.f90.o crest.p/src_propcalc.f90.o crest.p/src_protonate.f90.o crest.p/src_quicksort.f90.o crest.p/src_reactor.f90.o crest.p/src_readl2.f.o crest.p/src_readl.f.o crest.p/src_relaxensemble.f90.o crest.p/src_rotcompare.f90.o crest.p/src_scratch.f90.o crest.p/src_sdfio.f90.o crest.p/src_select.f90.o crest.p/src_setdg.f90.o crest.p/src_shortpath.f90.o crest.p/src_signal.c.o crest.p/src_sigterm.f90.o crest.p/src_sortens.f90.o crest.p/src_spline.f90.o crest.p/src_stereoisomers.f90.o crest.p/src_strucreader.f90.o crest.p/src_symmetry2.f90.o crest.p/src_symmetry_i.c.o crest.p/src_syscheck.f90.o crest.p/src_tautomerize.f90.o crest.p/src_thermocalc.f90.o crest.p/src_thermo.f90.o crest.p/src_trackorigin.f90.o crest.p/src_trialmd.f90.o crest.p/src_utilities.f.o crest.p/src_xtbmodef.f90.o crest.p/src_zdata.f90.o crest.p/src_zfunctional.f90.o crest.p/src_zsort.f90.o crest.p/src_ztopology.f90.o crest.p/src_crest_main.f90.o -L/usr/lib/gcc/aarch64-redhat-linux/15 -L/usr/lib64 -L/usr/lib/gcc/aarch64-redhat-linux/15/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib -L/usr/lib/gcc/aarch64-redhat-linux/15/../../.. -L/lib -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -fopenmp -Wl,--start-group -lflexiblas -lgfortran -lm -Wl,--end-group
../src/zfunctional.f90:32:14: warning: type of ‘xtbsp’ does not match original declaration [-Wlto-type-mismatch]
   32 |     call xtbsp(env)
      |              ^
../src/confscript2_misc.f90:23:1: note: type mismatch in parameter 2
   23 | subroutine xtbsp(env,xtblevel)
      | ^
../src/confscript2_misc.f90:23:1: note: ‘xtbsp’ was previously declared here
../src/deprotonate.f90:210:18: warning: type of ‘acidbase’ does not match original declaration [-Wlto-type-mismatch]
  210 |      call acidbase(env,'coord','base.xyz',acidchrg,.true.,.false.,dE, &
      |                  ^
../src/acidbase.f90:28:1: note: ‘acidbase’ was previously declared here
   28 | subroutine acidbase(env,acidfile,basefile,acidchrg,verbose,keepdir,dE, &
      | ^
../src/acidbase.f90:28:1: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
INFO: autodetecting backend as ninja
INFO: calculating backend command to run: /usr/bin/ninja -C /builddir/build/BUILD/crest-2.12-build/crest-2.12/redhat-linux-build -j 12 -v
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.Nayipl
+ umask 022
+ cd /builddir/build/BUILD/crest-2.12-build
+ '[' /builddir/build/BUILD/crest-2.12-build/BUILDROOT '!=' / ']'
+ rm -rf /builddir/build/BUILD/crest-2.12-build/BUILDROOT
++ dirname /builddir/build/BUILD/crest-2.12-build/BUILDROOT
+ mkdir -p /builddir/build/BUILD/crest-2.12-build
+ mkdir /builddir/build/BUILD/crest-2.12-build/BUILDROOT
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd crest-2.12
+ DESTDIR=/builddir/build/BUILD/crest-2.12-build/BUILDROOT
+ /usr/bin/meson install -C redhat-linux-build --no-rebuild
Installing crest to /builddir/build/BUILD/crest-2.12-build/BUILDROOT/usr/bin
Installing /builddir/build/BUILD/crest-2.12-build/crest-2.12/redhat-linux-build/docs/man/crest.1 to /builddir/build/BUILD/crest-2.12-build/BUILDROOT/usr/share/man/man1
+ /usr/bin/find-debuginfo -j12 --strict-build-id -m -i --build-id-seed 2.12-9.fc43 --unique-debug-suffix -2.12-9.fc43.aarch64 --unique-debug-src-base crest-2.12-9.fc43.aarch64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/crest-2.12-build/crest-2.12
find-debuginfo: starting
Extracting debug info from 1 files
DWARF-compressing 1 files
sepdebugcrcfix: Updated 1 CRC32s, 0 CRC32s did match.
Creating .debug symlinks for symlinks to ELF files
Copying sources found by 'debugedit -l' to /usr/src/debug/crest-2.12-9.fc43.aarch64
find-debuginfo: done
+ /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/brp-remove-la-files
+ /usr/lib/rpm/redhat/brp-python-rpm-in-distinfo
+ env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j12
+ /usr/lib/rpm/redhat/brp-python-hardlink
+ /usr/bin/add-determinism --brp -j12 /builddir/build/BUILD/crest-2.12-build/BUILDROOT
Scanned 16 directories and 90 files,
               processed 1 inodes,
               0 modified (0 replaced + 0 rewritten),
               0 unsupported format, 0 errors
Reading /builddir/build/BUILD/crest-2.12-build/SPECPARTS/rpm-debuginfo.specpart
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.HyCkfN
+ umask 022
+ cd /builddir/build/BUILD/crest-2.12-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd crest-2.12
+ /usr/bin/meson test -C redhat-linux-build --num-processes 12 --print-errorlogs -t 2000
No tests defined.
+ RPM_EC=0
++ jobs -p
+ exit 0
Processing files: crest-2.12-9.fc43.aarch64
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.5CjuA9
+ umask 022
+ cd /builddir/build/BUILD/crest-2.12-build
+ cd crest-2.12
+ DOCDIR=/builddir/build/BUILD/crest-2.12-build/BUILDROOT/usr/share/doc/crest
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/crest-2.12-build/BUILDROOT/usr/share/doc/crest
+ cp -pr /builddir/build/BUILD/crest-2.12-build/crest-2.12/README.md /builddir/build/BUILD/crest-2.12-build/BUILDROOT/usr/share/doc/crest
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.Pf0C5V
+ umask 022
+ cd /builddir/build/BUILD/crest-2.12-build
+ cd crest-2.12
+ LICENSEDIR=/builddir/build/BUILD/crest-2.12-build/BUILDROOT/usr/share/licenses/crest
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export LICENSEDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/crest-2.12-build/BUILDROOT/usr/share/licenses/crest
+ cp -pr /builddir/build/BUILD/crest-2.12-build/crest-2.12/COPYING /builddir/build/BUILD/crest-2.12-build/BUILDROOT/usr/share/licenses/crest
+ cp -pr /builddir/build/BUILD/crest-2.12-build/crest-2.12/COPYING.LESSER /builddir/build/BUILD/crest-2.12-build/BUILDROOT/usr/share/licenses/crest
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: crest = 2.12-9.fc43 crest(aarch-64) = 2.12-9.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-aarch64.so.1()(64bit) ld-linux-aarch64.so.1(GLIBC_2.17)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libflexiblas.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_2.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libm.so.6(GLIBC_2.27)(64bit) libm.so.6(GLIBC_2.29)(64bit) rtld(GNU_HASH)
Processing files: crest-debugsource-2.12-9.fc43.aarch64
Provides: crest-debugsource = 2.12-9.fc43 crest-debugsource(aarch-64) = 2.12-9.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: crest-debuginfo-2.12-9.fc43.aarch64
Provides: crest-debuginfo = 2.12-9.fc43 crest-debuginfo(aarch-64) = 2.12-9.fc43 debuginfo(build-id) = 5fdf6e49c087b5ffdfbfb3e7b79372ab6087981d
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: crest-debugsource(aarch-64) = 2.12-9.fc43
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILD/crest-2.12-build/BUILDROOT
Wrote: /builddir/build/RPMS/crest-2.12-9.fc43.aarch64.rpm
Wrote: /builddir/build/RPMS/crest-debugsource-2.12-9.fc43.aarch64.rpm
Wrote: /builddir/build/RPMS/crest-debuginfo-2.12-9.fc43.aarch64.rpm
Child return code was: 0