Mock Version: 1.1.21 Mock Version: 1.1.21 ENTER do(['bash', '--login', '-c', 'rpmbuild -bs --target x86_64 --nodeps builddir/build/SPECS/ergo.spec'], False, '/var/lib/mock/f18-build-1510739-255092/root/', None, 86400, True, False, 500, 425, None, False, {'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOSTNAME': 'mock', 'PROMPT_COMMAND': 'echo -n ""', 'HOME': '/builddir', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin'}, logger=) Executing command: ['bash', '--login', '-c', 'rpmbuild -bs --target x86_64 --nodeps builddir/build/SPECS/ergo.spec'] with env {'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOSTNAME': 'mock', 'PROMPT_COMMAND': 'echo -n ""', 'HOME': '/builddir', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin'} Building target platforms: x86_64 Building for target x86_64 Wrote: /builddir/build/SRPMS/ergo-3.2.1-1.fc18.src.rpm Child return code was: 0 LEAVE do --> ENTER do(['bash', '--login', '-c', 'rpmbuild -bb --target x86_64 --nodeps builddir/build/SPECS/ergo.spec'], False, '/var/lib/mock/f18-build-1510739-255092/root/', None, 86400, True, False, 500, 425, None, False, {'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOSTNAME': 'mock', 'PROMPT_COMMAND': 'echo -n ""', 'HOME': '/builddir', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin'}, logger=) Executing command: ['bash', '--login', '-c', 'rpmbuild -bb --target x86_64 --nodeps builddir/build/SPECS/ergo.spec'] with env {'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOSTNAME': 'mock', 'PROMPT_COMMAND': 'echo -n ""', 'HOME': '/builddir', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin'} Building target platforms: x86_64 Building for target x86_64 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.5STofo + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf ergo-3.2.1 + /usr/bin/gzip -dc /builddir/build/SOURCES/ergo-3.2.1.tar.gz + /usr/bin/tar -xf - + STATUS=0 + '[' 0 -ne 0 ']' + cd ergo-3.2.1 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.uhHU6u + umask 022 + cd /builddir/build/BUILD + cd ergo-3.2.1 + export CXX=g++ + CXX=g++ + export CC=gcc + CC=gcc + export F77=gfortran + F77=gfortran + export 'CFLAGS=-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp' + CFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp' + export 'CXXFLAGS=-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp' + CXXFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp' + export 'FFLAGS=-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp' + FFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp' + export 'LDFLAGS=-L/usr/lib64/atlas -fopenmp' + LDFLAGS='-L/usr/lib64/atlas -fopenmp' + export 'LIBS=-llapack -latlas' + LIBS='-llapack -latlas' + CFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp' + export CFLAGS + CXXFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp' + export CXXFLAGS + FFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp' + export FFLAGS + LDFLAGS='-L/usr/lib64/atlas -fopenmp' + export LDFLAGS + ./configure --build=x86_64-redhat-linux-gnu --host=x86_64-redhat-linux-gnu --program-prefix= --disable-dependency-tracking --prefix=/usr --exec-prefix=/usr --bindir=/usr/bin --sbindir=/usr/sbin --sysconfdir=/etc --datadir=/usr/share --includedir=/usr/include --libdir=/usr/lib64 --libexecdir=/usr/libexec --localstatedir=/var --sharedstatedir=/var/lib --mandir=/usr/share/man --infodir=/usr/share/info checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a thread-safe mkdir -p... /usr/bin/mkdir -p checking for gawk... gawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking which precision to use... DOUBLE checking whether to use internal linear algebra template library... no checking for x86_64-redhat-linux-gnu-icc... gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether we are using the GNU C compiler... yes checking whether gcc accepts -g... yes checking for gcc option to accept ISO C89... none needed checking for style of include used by make... GNU checking dependency style of gcc... none checking whether we are using the GNU C++ compiler... yes checking whether g++ accepts -g... yes checking dependency style of g++... none checking for x86_64-redhat-linux-gnu-ranlib... no checking for ranlib... ranlib checking for flex... no checking for lex... no checking for bison... no checking for byacc... no checking how to run the C preprocessor... gcc -E checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking limits.h usability... yes checking limits.h presence... yes checking for limits.h... yes checking for memory.h... (cached) yes checking stddef.h usability... yes checking stddef.h presence... yes checking for stddef.h... yes checking for stdlib.h... (cached) yes checking for string.h... (cached) yes checking for strings.h... (cached) yes checking sys/time.h usability... yes checking sys/time.h presence... yes checking for sys/time.h... yes checking for unistd.h... (cached) yes checking for C/C++ restrict keyword... __restrict checking for working volatile... yes checking for size_t... yes checking for stdlib.h... (cached) yes checking for GNU libc compatible malloc... yes checking for stdlib.h... (cached) yes checking for GNU libc compatible realloc... yes checking for vprintf... yes checking for _doprnt... no checking for atexit... yes checking for floor... no checking for memset... yes checking for rint... no checking for strcasecmp... yes checking for strchr... yes checking for strdup... yes checking for strncasecmp... yes checking for pow... no checking for pow in -lm... yes checking for pow... (cached) no checking for powf... yes checking for powl... yes checking for sqrt... yes checking for sqrtf... yes checking for sqrtl... yes checking for fabs... yes checking for fabsf... yes checking for fabsl... yes checking for exp... yes checking for expf... yes checking for expl... yes checking for log... yes checking for logf... yes checking for logl... yes checking for erf... yes checking for erff... yes checking for erfl... yes checking for erfc... yes checking for erfcf... yes checking for erfcl... yes checking for pthread_create in -lpthread... yes checking for x86_64-redhat-linux-gnu-g77... gfortran checking whether we are using the GNU Fortran 77 compiler... yes checking whether gfortran accepts -g... yes checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath checking for dposv_... yes checking for 10.0 icpc bug... ok configure: creating ./config.status config.status: creating Makefile config.status: creating source/Makefile config.status: creating source/basisset/Makefile config.status: creating source/ci/Makefile config.status: creating source/dft/Makefile config.status: creating source/integrals/Makefile config.status: creating source/matrix/Makefile config.status: creating source/matrix/template_lapack/Makefile config.status: creating source/matrix/template_lapack/blas/Makefile config.status: creating source/matrix/template_lapack/lapack/Makefile config.status: creating source/densfromf/Makefile config.status: creating source/scf/Makefile config.status: creating source/tddft/Makefile config.status: creating source/test/Makefile config.status: creating source/utilities/Makefile config.status: creating source/utilities_basic/Makefile config.status: creating basis/Makefile config.status: creating documentation/source/Makefile config.status: creating params/Makefile config.status: creating mol/Makefile config.status: creating test/Makefile config.status: creating source/config.h config.status: executing depfiles commands Selected precision : DOUBLE Critical warnings : no Linear Algebra Lib : + make -j4 V=1 Making all in source make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' make all-recursive make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' Making all in basisset make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/basisset' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o basisinfo.o basisinfo.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o basisset.o basisset.cc rm -f libbasisset.a ar cru libbasisset.a basisinfo.o basisset.o ranlib libbasisset.a make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/basisset' Making all in ci make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/ci' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o ci.o ci.cc rm -f libci.a ar cru libci.a ci.o ranlib libci.a make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/ci' Making all in matrix make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' Making all in template_lapack make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' Making all in blas make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' g++ -DHAVE_CONFIG_H -I. -I../../../../source -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o template_blas_basicmath.o template_blas_basicmath.cc g++ -DHAVE_CONFIG_H -I. -I../../../../source -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o template_blas_common.o template_blas_common.cc g++ -DHAVE_CONFIG_H -I. -I../../../../source -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o template_blas_test.o template_blas_test.cc g++ -DHAVE_CONFIG_H -I. -I../../../../source -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o template_blas_test_threaded.o template_blas_test_threaded.cc rm -f libtemplateblas.a ar cru libtemplateblas.a template_blas_basicmath.o template_blas_common.o template_blas_test.o ranlib libtemplateblas.a g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o templateblastest template_blas_test.o libtemplateblas.a -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o templateblastest_threaded template_blas_test_threaded.o libtemplateblas.a -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath -lpthread -llapack -latlas -lm make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' Making all in lapack make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' g++ -DHAVE_CONFIG_H -I. -I../../../../source -I../../../../source/matrix/template_lapack/blas -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o template_lapack_common.o template_lapack_common.cc g++ -DHAVE_CONFIG_H -I. -I../../../../source -I../../../../source/matrix/template_lapack/blas -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o template_lapack_test.o template_lapack_test.cc g++ -DHAVE_CONFIG_H -I. -I../../../../source -I../../../../source/matrix/template_lapack/blas -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o template_lapack_test_threaded.o template_lapack_test_threaded.cc rm -f libtemplatelapack.a ar cru libtemplatelapack.a template_lapack_common.o template_lapack_test.o ranlib libtemplatelapack.a g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o templatelapacktest template_lapack_test.o libtemplatelapack.a -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath ../../../../source/matrix/template_lapack/blas/libtemplateblas.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o templatelapacktest_threaded template_lapack_test_threaded.o libtemplatelapack.a -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath ../../../../source/matrix/template_lapack/blas/libtemplateblas.a -lpthread -llapack -latlas -lm make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[5]: Nothing to be done for `all-am'. make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o SizesAndBlocks.o SizesAndBlocks.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o gblas.o gblas.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o FileWritable.o FileWritable.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o matInclude.o matInclude.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o API_test.o API_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o testOmpFail.o testOmpFail.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o bench.o bench.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o bench_gemm_only.o bench_gemm_only.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o blastime.o blastime.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o Perturb_Test.o Perturb_Test.cc rm -f libmat.a ar cru libmat.a SizesAndBlocks.o gblas.o FileWritable.o matInclude.o ranlib libmat.a g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o omptest testOmpFail.o -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o blastime blastime.o libmat.a -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o perturbtest Perturb_Test.o libmat.a -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o matbenchgemm bench_gemm_only.o libmat.a -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o matbench bench.o libmat.a -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o mattest API_test.o libmat.a -L/usr/lib64/atlas -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.7.2/../../.. -lpthread -llapack -latlas -lgfortran -lm -lgomp -lquadmath ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a -lpthread -llapack -latlas -lm make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' Making all in densfromf make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/densfromf' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/integrals -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o densfromf_full.o densfromf_full.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/integrals -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o densfromf_general.o densfromf_general.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/integrals -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o densfromf_sparse.o densfromf_sparse.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/integrals -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o simple_purification.o simple_purification.cc rm -f libdensfromf.a ar cru libdensfromf.a densfromf_full.o densfromf_general.o densfromf_sparse.o simple_purification.o ranlib libdensfromf.a make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/densfromf' Making all in dft make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/dft' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o aos.o aos.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o cubature_rules.o cubature_rules.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o dft_common.o dft_common.cc gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-becke.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-cam.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-gga.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-kt.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-lb94.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-lyp.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-optx.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-p86c.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-pbec.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-pbex.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-pw86x.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-pw91c.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-pw91x.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-pw92c.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-pz81.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-slater.c g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o fun-tester.o fun-tester.cc gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c fun-vwn.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c functionals.c g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o grid_atomic.o grid_atomic.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o grid_hicu.o grid_hicu.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o grid_reader.o grid_reader.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o grid_stream.o grid_stream.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrator.o integrator.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o lebedev_laikov.o lebedev_laikov.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o lin_trans.o lin_trans.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o rho-mat.o rho-mat.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o sparse_matrix.o sparse_matrix.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o sparse_pattern.o sparse_pattern.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o xc_matrix.o xc_matrix.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o xc_matrix_sparse.o xc_matrix_sparse.cc rm -f libdft.a ar cru libdft.a aos.o cubature_rules.o dft_common.o fun-becke.o fun-cam.o fun-gga.o fun-kt.o fun-lb94.o fun-lyp.o fun-optx.o fun-p86c.o fun-pbec.o fun-pbex.o fun-pw86x.o fun-pw91c.o fun-pw91x.o fun-pw92c.o fun-pz81.o fun-slater.o fun-tester.o fun-vwn.o functionals.o grid_atomic.o grid_hicu.o grid_reader.o grid_stream.o integrator.o lebedev_laikov.o lin_trans.o rho-mat.o sparse_matrix.o sparse_pattern.o xc_matrix.o xc_matrix_sparse.o ranlib libdft.a make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/dft' Making all in integrals make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/integrals' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o basis_func_extent.o basis_func_extent.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o basis_func_extent_1el.o basis_func_extent_1el.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o basis_func_pair_list.o basis_func_pair_list.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o basis_func_pair_list_1el.o basis_func_pair_list_1el.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o box_system.o box_system.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o boysfunction.o boysfunction.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o densityfitting.o densityfitting.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o exponent_list.o exponent_list.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o hermite_conversion_explicit.o hermite_conversion_explicit.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o hermite_conversion_prep.o hermite_conversion_prep.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o hermite_conversion_symb.o hermite_conversion_symb.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integral_info.o integral_info.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_1el.o integrals_1el.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_1el_kinetic.o integrals_1el_kinetic.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_1el_potential.o integrals_1el_potential.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_1el_single.o integrals_1el_single.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_2el_boxed.o integrals_2el_boxed.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_2el_coulomb.o integrals_2el_coulomb.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_2el_exchange.o integrals_2el_exchange.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_2el_exchange_prep.o integrals_2el_exchange_prep.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_2el_explicit.o integrals_2el_explicit.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_2el_layer.o integrals_2el_layer.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_2el_repeating.o integrals_2el_repeating.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_2el_single.o integrals_2el_single.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_2el_utils.o integrals_2el_utils.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_general.o integrals_general.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integrals_hermite.o integrals_hermite.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o matrix_norm.o matrix_norm.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o mm_limit_table.o mm_limit_table.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o monomial_info.o monomial_info.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o multipole.o multipole.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o operator_matrix.o operator_matrix.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/utilities -I../../source/utilities_basic -I../../source/basisset -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o organize_distrs.o organize_distrs.cc rm -f libintegrals.a ar cru libintegrals.a basis_func_extent.o basis_func_extent_1el.o basis_func_pair_list.o basis_func_pair_list_1el.o box_system.o boysfunction.o densityfitting.o exponent_list.o hermite_conversion_explicit.o hermite_conversion_prep.o hermite_conversion_symb.o integral_info.o integrals_1el.o integrals_1el_kinetic.o integrals_1el_potential.o integrals_1el_single.o integrals_2el_boxed.o integrals_2el_coulomb.o integrals_2el_exchange.o integrals_2el_exchange_prep.o integrals_2el_explicit.o integrals_2el_layer.o integrals_2el_repeating.o integrals_2el_single.o integrals_2el_utils.o integrals_general.o integrals_hermite.o matrix_norm.o mm_limit_table.o monomial_info.o multipole.o operator_matrix.o organize_distrs.o ranlib libintegrals.a make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/integrals' Making all in scf make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/scf' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o diis_general.o diis_general.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o diis_restricted.o diis_restricted.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o diis_unrestricted.o diis_unrestricted.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o tdhf_dynamics.o tdhf_dynamics.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o scf_utils.o scf_utils.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o SCF_general.o SCF_general.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o SCF_restricted.o SCF_restricted.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o SCF_unrestricted.o SCF_unrestricted.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o SCF_statistics.o SCF_statistics.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/densfromf -I../../source/utilities -I../../source/utilities_basic -I../../source/integrals -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o scf.o scf.cc rm -f libscf.a ar cru libscf.a diis_general.o diis_restricted.o diis_unrestricted.o tdhf_dynamics.o scf_utils.o SCF_general.o SCF_restricted.o SCF_unrestricted.o SCF_statistics.o scf.o ranlib libscf.a make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/scf' Making all in utilities make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/densfromf -I../../source/basisset -I../../source/integrals -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o integral_matrix_wrappers.o integral_matrix_wrappers.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/densfromf -I../../source/basisset -I../../source/integrals -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o matrix_utilities.o matrix_utilities.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/densfromf -I../../source/basisset -I../../source/integrals -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o matrix_utilities_gao.o matrix_utilities_gao.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/densfromf -I../../source/basisset -I../../source/integrals -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o density_description_file_2.o density_description_file_2.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/densfromf -I../../source/basisset -I../../source/integrals -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o density_projection.o density_projection.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/densfromf -I../../source/basisset -I../../source/integrals -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o densitymanager.o densitymanager.cc gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/densfromf -I../../source/basisset -I../../source/integrals -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c atom_labels.c g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/densfromf -I../../source/basisset -I../../source/integrals -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o xyz_file_parser.o xyz_file_parser.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/densfromf -I../../source/basisset -I../../source/integrals -I../../source/utilities_basic -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o molecule.o molecule.cc rm -f libutilities.a ar cru libutilities.a integral_matrix_wrappers.o matrix_utilities.o matrix_utilities_gao.o density_description_file_2.o density_projection.o densitymanager.o atom_labels.o xyz_file_parser.o molecule.o ranlib libutilities.a make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities' Making all in utilities_basic make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities_basic' gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c barrier.c g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o csr_matrix.o csr_matrix.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o ergo_math.o ergo_math.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o machine_epsilon.o machine_epsilon.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o matrix_algebra.o matrix_algebra.cc gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c memorymanag.c gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c output.c g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o solve_lin_eq_syst.o solve_lin_eq_syst.cc gcc -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c utilities.c rm -f libutilities_basic.a ar cru libutilities_basic.a barrier.o csr_matrix.o ergo_math.o machine_epsilon.o matrix_algebra.o memorymanag.o output.o solve_lin_eq_syst.o utilities.o ranlib libutilities_basic.a make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities_basic' Making all in . make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' gcc -DHAVE_CONFIG_H -I. -I../source/utilities -I../source/utilities_basic -I../source/dft -I../source/basisset -I../source/integrals -I../source/scf -I../source/ci -I../source/densfromf -I../source/matrix -I../source/matrix/template_lapack/blas -I../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c ergo_input_processor.c gcc -DHAVE_CONFIG_H -I. -I../source/utilities -I../source/utilities_basic -I../source/dft -I../source/basisset -I../source/integrals -I../source/scf -I../source/ci -I../source/densfromf -I../source/matrix -I../source/matrix/template_lapack/blas -I../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c ergo_input_parser.c g++ -DHAVE_CONFIG_H -I. -I../source/utilities -I../source/utilities_basic -I../source/dft -I../source/basisset -I../source/integrals -I../source/scf -I../source/ci -I../source/densfromf -I../source/matrix -I../source/matrix/template_lapack/blas -I../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o ergo_scripted.o ergo_scripted.cc g++ -DHAVE_CONFIG_H -I. -I../source/utilities -I../source/utilities_basic -I../source/dft -I../source/basisset -I../source/integrals -I../source/scf -I../source/ci -I../source/densfromf -I../source/matrix -I../source/matrix/template_lapack/blas -I../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o slr.o slr.cc ergo_input_processor.c: In function 'yyparse': ergo_input_processor.c:1842:9: warning: passing argument 1 of 'yyerror' discards 'const' qualifier from pointer target type [enabled by default] ergo_input_processor.y:13:5: note: expected 'char *' but argument is of type 'const char *' ergo_input_parser.c:1891:5: warning: 'yyget_leng' defined but not used [-Wunused-function] ergo_input_parser.c:1875:7: warning: 'yyget_in' defined but not used [-Wunused-function] ergo_input_parser.c:1883:7: warning: 'yyget_out' defined but not used [-Wunused-function] ergo_input_parser.c:1900:7: warning: 'yyget_text' defined but not used [-Wunused-function] ergo_input_parser.c:1921:6: warning: 'yyset_in' defined but not used [-Wunused-function] ergo_input_parser.c:1926:6: warning: 'yyset_out' defined but not used [-Wunused-function] ergo_input_parser.c:1931:5: warning: 'yyget_debug' defined but not used [-Wunused-function] ergo_input_parser.c:1936:6: warning: 'yyset_debug' defined but not used [-Wunused-function] ergo_input_parser.c:1970:5: warning: 'yylex_destroy' defined but not used [-Wunused-function] ergo_input_parser.c:1368:17: warning: 'yyunput' defined but not used [-Wunused-function] ergo_input_parser.c:1409:16: warning: 'input' defined but not used [-Wunused-function] g++ -DHAVE_CONFIG_H -I. -I../source/utilities -I../source/utilities_basic -I../source/dft -I../source/basisset -I../source/integrals -I../source/scf -I../source/ci -I../source/densfromf -I../source/matrix -I../source/matrix/template_lapack/blas -I../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o bin2m.o bin2m.cc g++ -DHAVE_CONFIG_H -I. -I../source/utilities -I../source/utilities_basic -I../source/dft -I../source/basisset -I../source/integrals -I../source/scf -I../source/ci -I../source/densfromf -I../source/matrix -I../source/matrix/template_lapack/blas -I../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o fermi_contact.o fermi_contact.cc g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o bin2m bin2m.o ../source/utilities/libutilities.a ../source/basisset/libbasisset.a ../source/integrals/libintegrals.a ../source/utilities_basic/libutilities_basic.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o fermi_contact fermi_contact.o ../source/dft/libdft.a ../source/utilities/libutilities.a ../source/matrix/libmat.a ../source/matrix/template_lapack/blas/libtemplateblas.a ../source/matrix/template_lapack/lapack/libtemplatelapack.a ../source/basisset/libbasisset.a ../source/integrals/libintegrals.a ../source/utilities_basic/libutilities_basic.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o ergo ergo_input_processor.o ergo_input_parser.o ergo_scripted.o slr.o ../source/scf/libscf.a ../source/ci/libci.a ../source/densfromf/libdensfromf.a ../source/dft/libdft.a ../source/utilities/libutilities.a ../source/utilities_basic/libutilities_basic.a ../source/integrals/libintegrals.a ../source/matrix/libmat.a ../source/matrix/template_lapack/blas/libtemplateblas.a ../source/matrix/template_lapack/lapack/libtemplatelapack.a ../source/basisset/libbasisset.a -lpthread -llapack -latlas -lm make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' Making all in tddft make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/tddft' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/scf -I../../source/utilities -I../../source/utilities_basic -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o tddft.o tddft.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/integrals -I../../source/matrix -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -I../../source/scf -I../../source/utilities -I../../source/utilities_basic -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o tddft_test.o tddft_test.cc g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o tddft_test tddft.o tddft_test.o ../../source/scf/libscf.a ../../source/dft/libdft.a ../../source/densfromf/libdensfromf.a ../../source/utilities/libutilities.a ../../source/utilities_basic/libutilities_basic.a ../../source/integrals/libintegrals.a ../../source/matrix/libmat.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/basisset/libbasisset.a -lpthread -llapack -latlas -lm make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/tddft' Making all in test make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/test' g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o basicmath_test.o basicmath_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o lapack_test.o lapack_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o grid_test.o grid_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o stream_test.o stream_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o tmat_test.o tmat_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o vmat_test.o vmat_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o mat_thread_test.o mat_thread_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o jmat_test.o jmat_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o jmat_extrapolate_test.o jmat_extrapolate_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o kmat_test.o kmat_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o kmat_symm_test.o kmat_symm_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o kmat_nosymm_test.o kmat_nosymm_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o explicit_integral_test.o explicit_integral_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o xcmat_test.o xcmat_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o xcmat_sparse_test.o xcmat_sparse_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o matmem_test.o matmem_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o mmul_simple_test.o mmul_simple_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o mmul_simple_many_test.o mmul_simple_many_test.cc g++ -DHAVE_CONFIG_H -I. -I../../source -I../../source -I../../source/basisset -I../../source/dft -I../../source/scf -I../../source/integrals -I../../source/matrix -I../../source/utilities -I../../source/utilities_basic -I../../source/matrix/template_lapack/blas -I../../source/matrix/template_lapack/lapack -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -c -o mmul_rectangular_test.o mmul_rectangular_test.cc g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o basicmath_test basicmath_test.o ../../source/matrix/libmat.a ../../source/matrix/template_lapack/blas/libtemplateblas.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o lapack_test lapack_test.o ../../source/matrix/libmat.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o grid_test grid_test.o ../../source/dft/libdft.a ../../source/basisset/libbasisset.a ../../source/integrals/libintegrals.a ../../source/utilities/libutilities.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o stream_test stream_test.o ../../source/dft/libdft.a ../../source/basisset/libbasisset.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o tmat_test tmat_test.o ../../source/basisset/libbasisset.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o vmat_test vmat_test.o ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o mat_thread_test mat_thread_test.o ../../source/utilities/libutilities.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o jmat_test jmat_test.o ../../source/scf/libscf.a ../../source/dft/libdft.a ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o jmat_extrapolate_test jmat_extrapolate_test.o ../../source/scf/libscf.a ../../source/dft/libdft.a ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o kmat_test kmat_test.o ../../source/scf/libscf.a ../../source/dft/libdft.a ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o kmat_symm_test kmat_symm_test.o ../../source/scf/libscf.a ../../source/dft/libdft.a ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o kmat_nosymm_test kmat_nosymm_test.o ../../source/scf/libscf.a ../../source/dft/libdft.a ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o explicit_integral_test explicit_integral_test.o ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o xcmat_test xcmat_test.o ../../source/dft/libdft.a ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o mmul_simple_test mmul_simple_test.o ../../source/utilities/libutilities.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o mmul_simple_many_test mmul_simple_many_test.o ../../source/utilities/libutilities.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o mmul_rectangular_test mmul_rectangular_test.o ../../source/utilities/libutilities.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o matmem_test matmem_test.o ../../source/scf/libscf.a ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 -mtune=generic -fopenmp -L/usr/lib64/atlas -fopenmp -o xcmat_sparse_test xcmat_sparse_test.o ../../source/dft/libdft.a ../../source/basisset/libbasisset.a ../../source/utilities/libutilities.a ../../source/integrals/libintegrals.a ../../source/utilities_basic/libutilities_basic.a ../../source/matrix/template_lapack/blas/libtemplateblas.a ../../source/matrix/template_lapack/lapack/libtemplatelapack.a ../../source/matrix/libmat.a -lpthread -llapack -latlas -lm make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/test' make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' Making all in basis make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/basis' make[1]: Nothing to be done for `all'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/basis' Making all in params make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/params' make[1]: Nothing to be done for `all'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/params' Making all in mol make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/mol' make[1]: Nothing to be done for `all'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/mol' Making all in test make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/test' make[1]: Nothing to be done for `all'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/test' Making all in documentation/source make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/documentation/source' make[1]: Nothing to be done for `all'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/documentation/source' make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1' make[1]: Nothing to be done for `all-am'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1' + doxygen warning: Tag `SHOW_DIRECTORIES' at line 490 of file Doxyfile has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag `HTML_ALIGN_MEMBERS' at line 858 of file Doxyfile has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag `USE_INLINE_TREES' at line 1043 of file Doxyfile has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" /builddir/build/BUILD/ergo-3.2.1/source/ergo_input_parser.c:1823: warning: argument 'bytes' of command @param is not found in the argument list of yy_scan_bytes(yyconst char *yybytes, int _yybytes_len) /builddir/build/BUILD/ergo-3.2.1/source/ergo_input_parser.c:1823: warning: argument 'len' of command @param is not found in the argument list of yy_scan_bytes(yyconst char *yybytes, int _yybytes_len) /builddir/build/BUILD/ergo-3.2.1/source/ergo_input_parser.c:1823: warning: The following parameters of yy_scan_bytes(yyconst char *yybytes, int _yybytes_len) are not documented: parameter 'yybytes' parameter '_yybytes_len' + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.DHiTNP + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64 ++ dirname /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64 + cd ergo-3.2.1 + rm -rf /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64 + make install DESTDIR=/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64 Making install in source make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' make install-recursive make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' Making install in basisset make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/basisset' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/basisset' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/basisset' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/basisset' Making install in ci make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/ci' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/ci' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/ci' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/ci' Making install in matrix make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' Making install in template_lapack make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' Making install in blas make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' make[6]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' make[6]: Nothing to be done for `install-exec-am'. make[6]: Nothing to be done for `install-data-am'. make[6]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' Making install in lapack make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' make[6]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' make[6]: Nothing to be done for `install-exec-am'. make[6]: Nothing to be done for `install-data-am'. make[6]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[6]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[6]: Nothing to be done for `install-exec-am'. make[6]: Nothing to be done for `install-data-am'. make[6]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' make[5]: Nothing to be done for `install-exec-am'. make[5]: Nothing to be done for `install-data-am'. make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' Making install in densfromf make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/densfromf' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/densfromf' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/densfromf' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/densfromf' Making install in dft make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/dft' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/dft' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/dft' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/dft' Making install in integrals make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/integrals' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/integrals' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/integrals' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/integrals' Making install in scf make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/scf' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/scf' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/scf' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/scf' Making install in utilities make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities' Making install in utilities_basic make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities_basic' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities_basic' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities_basic' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities_basic' Making install in . make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' /usr/bin/mkdir -p '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/bin' /usr/bin/install -c ergo bin2m '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/bin' make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' Making install in tddft make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/tddft' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/tddft' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/tddft' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/tddft' Making install in test make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/test' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/test' make[4]: Nothing to be done for `install-exec-am'. make[4]: Nothing to be done for `install-data-am'. make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/test' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/test' make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' Making install in basis make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/basis' make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/basis' make[2]: Nothing to be done for `install-exec-am'. /usr/bin/mkdir -p '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis' /usr/bin/install -c -m 644 hybrid-guess-basis 3-21G 3-21++G 4-31G 6-311G 6-31G 6-31Gs 6-31Gss 6-31+G 6-31++G 6-31++Gs 6-31++Gss 6-311++Gss 6-31Gfixed Ahlrichs-Coulomb-Fit AhlrichsDenFit Ahlrichs-pVDZ Ahlrichs-TZV AhlrichsVDZ Ahlrichs-VDZ AhlrichsVTZ Ahlrichs-VTZ Almlof-Taylor-ANO ano-1 ano-2 ano-3 ano-4 ano-5 aug-cc-pCV5Z aug-cc-pCVDZ aug-cc-pCVQZ aug-cc-pCVTZ aug-cc-pCVTZ-CTOCD-uc aug-cc-pV5Z aug-cc-pV6Z aug-cc-pVDZ aug-cc-pVQZ aug-cc-pVTZ aug-cc-pVTZ-J aug-pV7Z '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis' /usr/bin/install -c -m 644 cc-pCV5Z cc-pCVDZ cc-pCVQZ cc-pCVTZ cc-pV(5+d)Z cc-pV5Z cc-pV5Zdenfit cc-pV5Z-DK cc-pV(6+d)Z cc-pV6Z cc-pV(D+d)Z cc-pVDZ cc-pVDZ-DK cc-pV(Q+d)Z cc-pVQZ cc-pVQZdenfit cc-pVQZ-DK cc-pV(T+d)Z cc-pVTZ cc-pVTZdenfit cc-pVTZ-DK cc-pwCV5Z cc-pwCVDZ cc-pwCVQZ cc-pwCVTZ DunningDZ DunningTZ ECP ECP_pseudo ecp-sdd-DZ ecp-sdd-pseudo GAMESS-PVTZ GAMESS-VTZ Huckel Huz-II Huz-III Huz-IIIsu3 Huz-IIsu2 Huz-IV Huz-IVsu4 '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis' /usr/bin/install -c -m 644 japrtano Makefile Makefile.am Makefile.in McLean-Chandler-VTZ MIDI NASA-Ames-ANO NQvD pV6Z pV7Z raf-r RoosAugDZANO sad-J sadlej Sadlej-pVTZ Sadlej-pVTZ-J STO-1G STO-2G STO-3G STO-6G Turbomole-DZ Turbomole-DZP Turbomole-QZV Turbomole-QZVP Turbomole-QZVPP Turbomole-SV Turbomole-SVP Turbomole-TZ Turbomole-TZP Turbomole-TZV Turbomole-TZVP Turbomole-TZVPP Turbomole-TZVPPP Wachtersa+f '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis' make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/basis' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/basis' Making install in params make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/params' make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/params' make[2]: Nothing to be done for `install-exec-am'. make[2]: Nothing to be done for `install-data-am'. make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/params' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/params' Making install in mol make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/mol' make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/mol' make[2]: Nothing to be done for `install-exec-am'. make[2]: Nothing to be done for `install-data-am'. make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/mol' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/mol' Making install in test make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/test' make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/test' make[2]: Nothing to be done for `install-exec-am'. make[2]: Nothing to be done for `install-data-am'. make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/test' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/test' Making install in documentation/source make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/documentation/source' make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/documentation/source' make[2]: Nothing to be done for `install-exec-am'. make[2]: Nothing to be done for `install-data-am'. make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/documentation/source' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/documentation/source' make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1' make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1' make[2]: Nothing to be done for `install-exec-am'. make[2]: Nothing to be done for `install-data-am'. make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1' extracting debug info from /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/bin/ergo + mkdir -p /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo + cp -a basis /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo + chmod 644 /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/3-21++G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/3-21G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/4-31G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-31++G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-31++Gs /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-31++Gss /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-31+G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-311++Gss /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-311G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-31G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-31Gfixed /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-31Gs /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/6-31Gss /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Ahlrichs-Coulomb-Fit /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Ahlrichs-TZV /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Ahlrichs-VDZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Ahlrichs-VTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Ahlrichs-pVDZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/AhlrichsDenFit /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/AhlrichsVDZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/AhlrichsVTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Almlof-Taylor-ANO /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/DunningDZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/DunningTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/ECP /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/ECP_pseudo /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/GAMESS-PVTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/GAMESS-VTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Huckel /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Huz-II /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Huz-III /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Huz-IIIsu3 /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Huz-IIsu2 /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Huz-IV /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Huz-IVsu4 /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/MIDI /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Makefile /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Makefile.am /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Makefile.in /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/McLean-Chandler-VTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/NASA-Ames-ANO /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/NQvD /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/RoosAugDZANO /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/STO-1G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/STO-2G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/STO-3G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/STO-6G /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Sadlej-pVTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Sadlej-pVTZ-J /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-DZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-DZP /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-QZV /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-QZVP /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-QZVPP /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-SV /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-SVP /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-TZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-TZP /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-TZV /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-TZVP /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-TZVPP /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Turbomole-TZVPPP /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Wachtersa+f /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/ano-1 /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/ano-2 /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/ano-3 /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/ano-4 /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/ano-5 /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pCV5Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pCVDZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pCVQZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pCVTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pCVTZ-CTOCD-uc /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pV5Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pV6Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pVDZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pVQZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pVTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-cc-pVTZ-J /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/aug-pV7Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pCV5Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pCVDZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pCVQZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pCVTZ '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pV(5+d)Z' '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pV(6+d)Z' '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pV(D+d)Z' '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pV(Q+d)Z' '/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pV(T+d)Z' /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pV5Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pV5Z-DK /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pV5Zdenfit /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pV6Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pVDZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pVDZ-DK /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pVQZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pVQZ-DK /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pVQZdenfit /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pVTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pVTZ-DK /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pVTZdenfit /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pwCV5Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pwCVDZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pwCVQZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/cc-pwCVTZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/ecp-sdd-DZ /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/ecp-sdd-pseudo /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/hybrid-guess-basis /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/japrtano /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/pV6Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/pV7Z /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/raf-r /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/sad-J /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/sadlej + rm /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Makefile /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Makefile.am /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/ergo/basis/Makefile.in + /usr/lib/rpm/find-debuginfo.sh --strict-build-id -m --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 /builddir/build/BUILD/ergo-3.2.1 extracting debug info from /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/bin/bin2m 6920 blocks + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-compress + /usr/lib/rpm/redhat/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/brp-python-bytecompile /usr/bin/python 1 + /usr/lib/rpm/redhat/brp-python-hardlink + /usr/lib/rpm/redhat/brp-java-repack-jars Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.upNSKm + umask 022 + cd /builddir/build/BUILD + cd ergo-3.2.1 + make check VERBOSE=1 Making check in source make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' make check-recursive make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' Making check in basisset make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/basisset' make[3]: Nothing to be done for `check'. make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/basisset' Making check in ci make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/ci' make[3]: Nothing to be done for `check'. make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/ci' Making check in matrix make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' Making check in template_lapack make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' Making check in blas make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' make check-TESTS make[6]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' Testing template_blas template_blas_nrm2 returned 1.41421 template_blas_gemm finished. pi = 3.14159 pi = 3.141592653589793 template_blas test OK Testing template_blas with threads Thread 140520574990080 finished OK. Thread 140520554010368 finished OK. Thread 140520606459648 finished OK. Thread 140520585479936 finished OK. Thread 140520543520512 finished OK. Thread 140520564500224 finished OK. Thread 140520533030656 finished OK. Thread 140520595969792 finished OK. pi = 3.141592653589793 template_blas_test_threaded test ended OK. template_blas with threads test OK PASS: test.sh ============= 1 test passed ============= make[6]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/blas' Making check in lapack make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' make check-TESTS make[6]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' Testing template_lapack template_blas_gemm finished. calling template_lapack_spgst calling template_lapack_tptri calling template_lapack_sygv calling template_lapack_trtri testing template_lapack_gesv().. OK solution: -2 0.333333 3 template_lapack tests finished OK. template_lapack test OK Testing template_lapack with threads Thread 140322346673920 finished OK. Thread 140322388633344 finished OK. Thread 140322367653632 finished OK. Thread 140322357163776 finished OK. Thread 140322378143488 finished OK. Thread 140322399123200 finished OK. Thread 140322336184064 finished OK. Thread 140322325694208 finished OK. template_lapack_threaded test finished OK. template_lapack with threads test OK PASS: test.sh ============= 1 test passed ============= make[6]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack/lapack' make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[5]: Nothing to be done for `check-am'. make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix/template_lapack' make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' make check-TESTS make[5]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' Testing code sensitive for some compilers when OpenMP is used Testing code sensitive when certain compilers are used with OpenMP: OpenMP is used? YES Test OK OpenMP test OK Testing matrix library ========================================================= Testing matrix library with double precision: ========================================================= OpenMP is used, number of threads set to 1. Matrix parallel level: 2. Running tests with blocksize vector: 5 1 1 Matrix has 682 nonzero elements out of 7569 possible. Max Absolute Error: 0 Matrix multiply test: Max Absolute Error: 8.881784197e-16 OK Transposed matrix multiply test: Max Absolute Error: 8.881784197e-16 OK Symmetric matrix mul (symm) test: Max Absolute Error: 1.776356839e-15 OK Symmetric rank-k update (syrk) test: Max Absolute Error: 3.552713679e-15 OK Symmetric matrix square test: Max Absolute Error: 1.776356839e-15 OK Symmetric-symmetric matrix multiply test: Max Absolute Error: 8.881784197e-16 OK Triangular-general matrix multiply test 1: Max Absolute Error: 5.329070518e-15 OK Triangular-general matrix multiply test 2: Max Absolute Error: 5.329070518e-15 OK Frobenius norm (general matrix) test: Absolute Difference: 5.329070518e-15 OK Frobenius norm (symmetric matrix) test: Absolute Difference: 3.552713679e-15 OK Frobenius norm (triangular matrix) test: Absolute Difference: 7.105427358e-14 OK Frobenius norm diff (general matrix) test: Absolute Error: 0 OK Frobenius norm diff (symmetric matrix) test: Absolute Error: 0 OK Write to file (general matrix) test: Absolute Error: 0 OK Trace (general matrix) test: Absolute Difference: 0 OK Addition (general matrix) test: Absolute Difference: 0 OK Addition (symmetric matrix) test: Absolute Difference: 0 OK Triple matrix multiply test 1: Max Absolute Error: 5.684341886e-14 OK Triple matrix multiply test 2: Max Absolute Error: 7.105427358e-14 OK Frobenius thresholding test 1: Requested threshold: 0.01 Received Error: 0.009373231488 OK Frobenius thresholding test 2: Requested threshold: 0.1 Received Error: 0.09850751309 OK Frobenius thresholding test 3: Requested threshold: 1 Received Error: 0.999078585 OK Frobenius thresholding test 4: Requested threshold: 10 Received Error: 9.996607941 OK Inverse Cholesky test: Max Absolute Error: 2.775557562e-17 OK Gersgorin eigenvalue bounds test: Reference: -41.78708166, 42.67244397 Computed: -41.78708166, 42.67244397 OK Memory usage function test: General matrix memory usage : 60552 bytes OK Symmetric matrix memory usage: 30624 bytes OK Accumulate test OK. Vector contructors, copy, and assignment test: OK Dot product test: Error: 0 OK Euclidean norm (vector) test: Error: 1.110223025e-16 OK axpy test: Error: 0 OK Matrix-vector product test 1: Max Absolute Error: 0 OK Matrix-vector product test 2: Max Absolute Error: 4.440892099e-16 OK Matrix-vector product test 3: Max Absolute Error: 8.881784197e-16 OK Symm Matrix-vector product test 1: Max Absolute Error: 2.220446049e-16 OK Symm Matrix-vector product test 2: Max Absolute Error: 4.440892099e-16 OK Symm Matrix-vector product test 3: Max Absolute Error: 8.881784197e-16 OK Triang Matrix-vector product test 1: Max Absolute Error: 0 OK Triang Matrix-vector product test 2: Max Absolute Error: 3.108624469e-15 OK Lanczos largest magnitude test : Requested accuracy: 1.490116119e-09 Indicated Error: 2.790764289e-10 Actual Error: 2.511693525e-10 OK Lanczos largest magnitude test again (0) : Requested accuracy: 1e-13 Indicated Error: 6.75069525e-14 'Actual Error' (resVec norm): 6.075850052e-14 Actual Error (really): 5.97577543e-14 OK Lanczos largest magnitude test again (1) : Requested accuracy: 1e-13 Indicated Error: 6.664682977e-14 'Actual Error' (resVec norm): 5.998792179e-14 Actual Error (really): 5.102862577e-14 OK Lanczos largest magnitude test again (2) : Requested accuracy: 1e-13 Indicated Error: 6.658074696e-14 'Actual Error' (resVec norm): 5.99196809e-14 Actual Error (really): 7.087386233e-14 OK Lanczos largest magnitude test again (3) : Requested accuracy: 1e-13 Indicated Error: 6.738192496e-14 'Actual Error' (resVec norm): 6.064114041e-14 Actual Error (really): 5.68017855e-14 OK Lanczos largest magnitude test again (4) : Requested accuracy: 1e-13 Indicated Error: 6.569335046e-14 'Actual Error' (resVec norm): 5.912584827e-14 Actual Error (really): 7.480127628e-14 OK Lanczos largest magnitude test again (5) : Requested accuracy: 1e-13 Indicated Error: 5.230529277e-14 'Actual Error' (resVec norm): 4.708031705e-14 Actual Error (really): 2.235711616e-14 OK Lanczos largest magnitude test again (6) : Requested accuracy: 1e-13 Indicated Error: 6.708455183e-14 'Actual Error' (resVec norm): 6.0371857e-14 Actual Error (really): 5.387357227e-14 OK Lanczos largest magnitude test again (7) : Requested accuracy: 1e-13 Indicated Error: 6.7321229e-14 'Actual Error' (resVec norm): 6.058521283e-14 Actual Error (really): 6.541295283e-14 OK Lanczos largest magnitude test again (8) : Requested accuracy: 1e-13 Indicated Error: 6.722707892e-14 'Actual Error' (resVec norm): 6.050477482e-14 Actual Error (really): 5.512257317e-14 OK Lanczos largest magnitude test again (9) : Requested accuracy: 1e-13 Indicated Error: 6.746662127e-14 'Actual Error' (resVec norm): 6.072381915e-14 Actual Error (really): 5.83977311e-14 OK Lanczos largest magnitude test again (10) : Requested accuracy: 1e-13 Indicated Error: 5.162948215e-14 'Actual Error' (resVec norm): 4.646711043e-14 Actual Error (really): 2.161465451e-14 OK Lanczos largest magnitude test again (11) : Requested accuracy: 1e-13 Indicated Error: 6.651595876e-14 'Actual Error' (resVec norm): 5.986106699e-14 Actual Error (really): 5.032085859e-14 OK Lanczos largest magnitude test again (12) : Requested accuracy: 1e-13 Indicated Error: 6.073389512e-14 'Actual Error' (resVec norm): 5.46631763e-14 Actual Error (really): 8.731210199e-14 OK Lanczos largest magnitude test again (13) : Requested accuracy: 1e-13 Indicated Error: 6.697947057e-14 'Actual Error' (resVec norm): 6.028198499e-14 Actual Error (really): 5.309641615e-14 OK Lanczos largest magnitude test again (14) : Requested accuracy: 1e-13 Indicated Error: 4.147710589e-14 'Actual Error' (resVec norm): 3.732949014e-14 Actual Error (really): 1.283001483e-14 OK Lanczos largest magnitude test again (15) : Requested accuracy: 1e-13 Indicated Error: 6.740389738e-14 'Actual Error' (resVec norm): 6.066079167e-14 Actual Error (really): 6.434436317e-14 OK Lanczos largest magnitude test again (16) : Requested accuracy: 1e-13 Indicated Error: 6.276557162e-14 'Actual Error' (resVec norm): 5.649079653e-14 Actual Error (really): 3.837208329e-14 OK Lanczos largest magnitude test again (17) : Requested accuracy: 1e-13 Indicated Error: 6.58429213e-14 'Actual Error' (resVec norm): 5.925746898e-14 Actual Error (really): 7.422534809e-14 OK Lanczos largest magnitude test again (18) : Requested accuracy: 1e-13 Indicated Error: 6.743015376e-14 'Actual Error' (resVec norm): 6.069365836e-14 Actual Error (really): 6.387251839e-14 OK Lanczos largest magnitude test again (19) : Requested accuracy: 1e-13 Indicated Error: 6.704715482e-14 'Actual Error' (resVec norm): 6.034123829e-14 Actual Error (really): 5.358907762e-14 OK Lanczos largest magnitude test (Diff matrix) : Requested accuracy: 1.490116119e-09 Indicated Error: 4.440892099e-16 Actual Error: -2.220446049e-16 OK Euclidean truncation test, symmetric matrices 1: Requested threshold: 0.01 Received Error: 0.009579419527 OK Euclidean truncation test, symmetric matrices 2: Requested threshold: 0.1 Received Error: 0.06121431858 OK Euclidean truncation test, symmetric matrices 3: Requested threshold: 1 Received Error: 0.9850758515 OK Euclidean truncation test, symmetric matrices 4: Requested threshold: 10 Received Error: 1.371169877 OK mixed norm res: 0.009368583232 Mixed norm truncation test, symmetric matrices 1: Requested threshold: 0.01 Received Error (Euclidean norm): 0.009268583259 OK mixed norm res: 0.09843459291 Mixed norm truncation test, symmetric matrices 2: Requested threshold: 0.1 Received Error (Euclidean norm): 0.09743459317 OK mixed norm res: 0.7195938289 Mixed norm truncation test, symmetric matrices 3: Requested threshold: 1 Received Error (Euclidean norm): 0.7095938354 OK mixed norm res: 1.511691098 Mixed norm truncation test, symmetric matrices 4: Requested threshold: 10 Received Error (Euclidean norm): 1.411691187 OK Euclidean truncation test, triangular matrices 1: Requested threshold: 0.01 Received Error: 0.002535339278 OK Euclidean truncation test, triangular matrices 2: Requested threshold: 0.1 Received Error: 0.02466599259 OK Euclidean truncation test, triangular matrices 3: Requested threshold: 1 Received Error: 0.2476925998 OK Euclidean truncation test, triangular matrices 4: Requested threshold: 10 Received Error: 1.168702475 OK Euclidean truncation test, general matrices 1: Requested threshold: 0.01 Received Error: 0.003015079655 OK Euclidean truncation test, general matrices 2: Requested threshold: 0.1 Received Error: 0.02651574925 OK Euclidean truncation test, general matrices 3: Requested threshold: 1 Received Error: 0.2393536839 OK Euclidean truncation test, general matrices 4: Requested threshold: 10 Received Error: 1.421197989 OK Test truncation with triple matrix measure: Requested threshold: 0.01 Received Error: 0.008914966454 Reported Error: 0.009005104542 OK Test timers in FileWritable: Initial values : Write : 0 s Read : 0 s Copy and assign : 0 s After 1st writeToFile : Write : 0 s (MatrixSymmetric) = 0 s Read : 0 s Copy and assign : 0 s After 1st readFromFile : Write : 0 s (MatrixSymmetric) = 0 s Read : 9.5e-07 s (MatrixSymmetric) = 9.5e-07 s Copy and assign : 0 s After 2nd writeToFile : Write : 0 s (MatrixSymmetric) + 9.5e-07 s (VectorGeneral) = 9.5e-07 s Read : 9.5e-07 s (MatrixSymmetric) = 9.5e-07 s Copy and assign : 0 s After 2nd readFromFile : Write : 0 s (MatrixSymmetric) + 9.5e-07 s (VectorGeneral) = 9.5e-07 s Read : 9.5e-07 s (MatrixSymmetric) + 9.5e-07 s (VectorGeneral) = 1.9e-06 s Copy and assign : 0 s Total counts : Write : 1 (MatrixSymmetric) + 1 (VectorGeneral) = 2 Read : 1 (MatrixSymmetric) + 1 (VectorGeneral) = 2 Copy and assign : 0 Matrix library tests with double precision completed successfully! ========================================================= Testing matrix library with single precision: ========================================================= OpenMP is used, number of threads set to 1. Matrix parallel level: 2. Running tests with blocksize vector: 5 1 1 Matrix has 781 nonzero elements out of 7569 possible. Max Absolute Error: 0 Matrix multiply test: Max Absolute Error: 4.768371582e-07 OK Transposed matrix multiply test: Max Absolute Error: 9.536743164e-07 OK Symmetric matrix mul (symm) test: Max Absolute Error: 9.536743164e-07 OK Symmetric rank-k update (syrk) test: Max Absolute Error: 9.536743164e-07 OK Symmetric matrix square test: Max Absolute Error: 9.536743164e-07 OK Symmetric-symmetric matrix multiply test: Max Absolute Error: 9.536743164e-07 OK Triangular-general matrix multiply test 1: Max Absolute Error: 2.861022949e-06 OK Triangular-general matrix multiply test 2: Max Absolute Error: 3.814697266e-06 OK Frobenius norm (general matrix) test: Absolute Difference: 4.768371582e-06 OK Frobenius norm (symmetric matrix) test: Absolute Difference: 1.907348633e-06 OK Frobenius norm (triangular matrix) test: Absolute Difference: 3.814697266e-06 OK Frobenius norm diff (general matrix) test: Absolute Error: 0 OK Frobenius norm diff (symmetric matrix) test: Absolute Error: 0 OK Write to file (general matrix) test: Absolute Error: 0 OK Trace (general matrix) test: Absolute Difference: 0 OK Addition (general matrix) test: Absolute Difference: 0 OK Addition (symmetric matrix) test: Absolute Difference: 0 OK Triple matrix multiply test 1: Max Absolute Error: 3.051757812e-05 OK Triple matrix multiply test 2: Max Absolute Error: 3.814697266e-05 OK Frobenius thresholding test 1: Requested threshold: 0.009999999776 Received Error: 0.009765628725 OK Frobenius thresholding test 2: Requested threshold: 0.1000000015 Received Error: 0.09971819073 OK Frobenius thresholding test 3: Requested threshold: 1 Received Error: 0.9984552264 OK Frobenius thresholding test 4: Requested threshold: 10 Received Error: 9.996099472 OK Skipping inverse Cholesky test since lapack single precision Cholesky (spptrf) is unstable. Gersgorin eigenvalue bounds test: Reference: -36.72556305, 38.64684296 Computed: -36.72556305, 38.64684296 OK Memory usage function test: General matrix memory usage : 30276 bytes OK Symmetric matrix memory usage: 15312 bytes OK Accumulate test OK. Vector contructors, copy, and assignment test: OK Dot product test: Error: 1.192092896e-07 OK Euclidean norm (vector) test: Error: 5.960464478e-08 OK axpy test: Error: 0 OK Matrix-vector product test 1: Max Absolute Error: 1.192092896e-07 OK Matrix-vector product test 2: Max Absolute Error: 2.384185791e-07 OK Matrix-vector product test 3: Max Absolute Error: 2.384185791e-07 OK Symm Matrix-vector product test 1: Max Absolute Error: 1.192092896e-07 OK Symm Matrix-vector product test 2: Max Absolute Error: 2.384185791e-07 OK Symm Matrix-vector product test 3: Max Absolute Error: 2.384185791e-07 OK Triang Matrix-vector product test 1: Max Absolute Error: 4.768371582e-07 OK Triang Matrix-vector product test 2: Max Absolute Error: 9.536743164e-07 OK Skipping Lanczos test for single precision. Skipping Lanczos test for single precision. Skipping Lanczos (Diff) test for single precision. Euclidean truncation test, symmetric matrices 1: Requested threshold: 0.009999999776 Received Error: 0.009233999066 OK Euclidean truncation test, symmetric matrices 2: Requested threshold: 0.1000000015 Received Error: 0.06537216157 OK Euclidean truncation test, symmetric matrices 3: Requested threshold: 1 Received Error: 0.6567283273 OK Euclidean truncation test, symmetric matrices 4: Requested threshold: 10 Received Error: 1.315786362 OK mixed norm res: 0.007000158075 Mixed norm truncation test, symmetric matrices 1: Requested threshold: 0.009999999776 Received Error (Euclidean norm): 0.006900889333 OK mixed norm res: 0.08167488128 Mixed norm truncation test, symmetric matrices 2: Requested threshold: 0.1000000015 Received Error (Euclidean norm): 0.08068455011 OK mixed norm res: 0.8052093983 Mixed norm truncation test, symmetric matrices 3: Requested threshold: 1 Received Error (Euclidean norm): 0.7952740192 OK mixed norm res: 1.456463337 Mixed norm truncation test, symmetric matrices 4: Requested threshold: 10 Received Error (Euclidean norm): 1.357663274 OK Euclidean truncation test, triangular matrices 1: Requested threshold: 0.009999999776 Received Error: 0.002889560536 OK Euclidean truncation test, triangular matrices 2: Requested threshold: 0.1000000015 Received Error: 0.02458819002 OK Euclidean truncation test, triangular matrices 3: Requested threshold: 1 Received Error: 0.2337097228 OK Euclidean truncation test, triangular matrices 4: Requested threshold: 10 Received Error: 1.114465237 OK Euclidean truncation test, general matrices 1: Requested threshold: 0.009999999776 Received Error: 0.002592610661 OK Euclidean truncation test, general matrices 2: Requested threshold: 0.1000000015 Received Error: 0.02659651078 OK Euclidean truncation test, general matrices 3: Requested threshold: 1 Received Error: 0.255449295 OK Euclidean truncation test, general matrices 4: Requested threshold: 10 Received Error: 1.357917309 OK Test truncation with triple matrix measure: Requested threshold: 0.009999999776 Received Error: 0.007639791816 Reported Error: 0.007729408331 OK Test timers in FileWritable: Initial values : Write : 0 s Read : 0 s Copy and assign : 0 s After 1st writeToFile : Write : 1.2e-06 s (MatrixSymmetric) = 1.2e-06 s Read : 0 s Copy and assign : 0 s After 1st readFromFile : Write : 1.2e-06 s (MatrixSymmetric) = 1.2e-06 s Read : 0 s (MatrixSymmetric) = 0 s Copy and assign : 0 s After 2nd writeToFile : Write : 1.2e-06 s (MatrixSymmetric) + 0 s (VectorGeneral) = 1.2e-06 s Read : 0 s (MatrixSymmetric) = 0 s Copy and assign : 0 s After 2nd readFromFile : Write : 1.2e-06 s (MatrixSymmetric) + 0 s (VectorGeneral) = 1.2e-06 s Read : 0 s (MatrixSymmetric) + 0 s (VectorGeneral) = 0 s Copy and assign : 0 s Total counts : Write : 1 (MatrixSymmetric) + 1 (VectorGeneral) = 2 Read : 1 (MatrixSymmetric) + 1 (VectorGeneral) = 2 Copy and assign : 0 Matrix library tests with single precision completed successfully! All matrix library tests OK Skipping matrix library benchmark To run benchmark, run check as: make check RUN_BENCHMARK=1 PASS: test.sh ============= 1 test passed ============= make[5]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/matrix' Making check in densfromf make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/densfromf' make[3]: Nothing to be done for `check'. make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/densfromf' Making check in dft make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/dft' make[3]: Nothing to be done for `check'. make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/dft' Making check in integrals make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/integrals' make[3]: Nothing to be done for `check'. make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/integrals' Making check in scf make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/scf' make[3]: Nothing to be done for `check'. make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/scf' Making check in utilities make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities' make[3]: Nothing to be done for `check'. make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities' Making check in utilities_basic make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities_basic' make[3]: Nothing to be done for `check'. make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/utilities_basic' Making check in . make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' Making check in tddft make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/tddft' make[3]: Nothing to be done for `check'. make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/tddft' Making check in test make[3]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/test' make check-TESTS make[4]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/source/test' machine_epsilon = 2.22045e-16 Run with env VERBOSE for more info. maxabsdiff for template_blas_sqrt: 0 template_blas_sqrt() accuracy OK. maxabsdiff for template_blas_exp: 1.77636e-15 template_blas_exp() accuracy OK. maxabsdiff for template_blas_log: 1.77636e-15 template_blas_log() accuracy OK. maxabsdiff for template_blas_erf: 4.44089e-16 template_blas_erf() accuracy OK. maxabsdiff for template_blas_erfc: 0 template_blas_erfc() accuracy OK. Basic math functions test succeeded. PASS: basicmath_test machine_epsilon = 2.22045e-16 Run with env VERBOSE for more info. Testing solution of a linear system of equations using routine template_lapack_gesv().. maxabsdiff for template_lapack_gesv: 4.31044e-14 template_lapack_gesv test OK. maxabsdiff for Cholesky decomposition template_lapack_potf2(): 4.44089e-16 maxabsdiff 1 for inverse template_lapack_trtri(): 1.11022e-16 maxabsdiff 2 for inverse template_lapack_trtri(): 1.11022e-16 Tests of potf2 and trtri finished OK. LAPACK test succeeded. PASS: lapack_test Default number of threads: 4Grid generation 500 times succeeded. PASS: grid_test PASS: stream_test XC GC2 LDA/SVWN5 test OK XC Turbo LDA/SVWN5 test OK XC LMG LDA/SVWN5 test OK XC LMG GGA/BP86 test OK XC Turbo GGA/BP86 test OK XC LMG LDA/Combine Slater=1 PZ81=1 test OK XC LMG GGA/BLYP test OK PASS: xcmat_test Sparse XC BLYP (grid std ) test OK Sparse XC SVWN5 (grid std ) test OK Sparse XC BLYP (grid HiCu) test OK Sparse XC SVWN5 (grid HiCu) test OK Success: YES PASS: xcmat_sparse_test 0 0 OK 0 1 OK 1 0 OK 1 1 OK T test succeeded. PASS: tmat_test diff = 0.00020431877 S vs V comparison test OK. maxAbsDiff = 0.000000001432081 maxAbsDiff2 = 0.000000001432081 test_V_by_explicit_comparison OK. test_V_by_explicit_comparison_tight test repeated, 100 times, errorCount = 0 V matrix tests OK. PASS: vmat_test OpenMP is used, number of threads set to 1. Matrix parallel level: 1. A2 = 1.0 * A * A operation took 0.017 wall seconds. inch operation took 0.011 wall seconds. X = transpose(Z) * X * Z operation took 0.007 wall seconds. mat_thread_test finished OK. PASS: mat_thread_test OpenMP is used, number of threads set to 1. Matrix parallel level: 2. J test OK, diffNorm = 1.867e-06 PASS: jmat_test OpenMP is used, number of threads set to 1. Matrix parallel level: 2. Scan result: 1.3335e-08 5.5697e-06 1.9085e-06 8.0484e-07 1.7783e-08 8.6979e-06 3.2486e-06 1.0667e-06 2.3714e-08 1.4644e-05 5.8201e-06 1.7157e-06 3.1623e-08 2.1293e-05 7.7484e-06 2.0547e-06 J extrapolate test OK PASS: jmat_extrapolate_test OpenMP is used, number of threads set to 1. Matrix parallel level: 2. K test OK, diffNorm = 2.073e-07 PASS: kmat_test OpenMP is used, number of threads set to 1. Matrix parallel level: 2. K test OK, maxabsdiff_explicitcheck = 3.846e-08 PASS: kmat_symm_test OpenMP is used, number of threads set to 1. Matrix parallel level: 2. K nosymm test OK, maxabsdiff_explicitcheck = 3.916e-08 PASS: kmat_nosymm_test machine_epsilon = 2.2204e-16, using h = 2.2204e-12 try_integral_diffs finished OK, count = 560. PASS: explicit_integral_test OpenMP is used, number of threads set to 1. Matrix parallel level: 2. Matrix mem usage test OK PASS: matmem_test mmul_simple_test start, matrix size n = 500. random matrices A and B generated OK. do_naive_mmul took 0.286 wall seconds. verify_mmul_result, verified 212 elements, maxabsdiff = 0 BLAS gemm call took 0.068 wall seconds. Max abs diff (elementwise) between naive and BLAS gemm results: 2.84e-13 verify_mmul_result, verified 250 elements, maxabsdiff = 1.56319e-13 BLAS gemm call took 0.068 wall seconds. Max abs diff (elementwise) between naive and BLAS gemm results: 2.84e-13 verify_mmul_result, verified 251 elements, maxabsdiff = 1.7053e-13 mmul_simple_test finished OK. PASS: mmul_simple_test mmul_simple_many_test start, m = 10, matrix size n = 500. random matrix lists A and B generated OK. do_naive_mmul took 2.952 wall seconds. BLAS gemm call took 0.771 wall seconds. Max abs diff (elementwise) between naive and BLAS gemm results: 3.13e-13 BLAS gemm call took 0.745 wall seconds. Max abs diff (elementwise) between naive and BLAS gemm results: 0 mmul_simple_many_test finished OK. PASS: mmul_simple_many_test mmul_simple_test start, matrix sizes n = 500, m = 500, p = 500. random matrices A and B generated OK. do_naive_mmul took 0.296 wall seconds. verify_mmul_result, verified 212 elements, maxabsdiff = 0 BLAS gemm call took 0.074 wall seconds. Max abs diff (elementwise) between naive and BLAS gemm results: 2.84e-13 verify_mmul_result, verified 250 elements, maxabsdiff = 1.56319e-13 BLAS gemm call took 0.072 wall seconds. Max abs diff (elementwise) between naive and BLAS gemm results: 2.84e-13 verify_mmul_result, verified 251 elements, maxabsdiff = 1.7053e-13 mmul_simple_test finished OK. PASS: mmul_rectangular_test =================== All 19 tests passed =================== make[4]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/test' make[3]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source/test' make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/source' Making check in basis make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/basis' make[1]: Nothing to be done for `check'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/basis' Making check in params make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/params' make[1]: Nothing to be done for `check'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/params' Making check in mol make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/mol' make[1]: Nothing to be done for `check'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/mol' Making check in test make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/test' make check-TESTS make[2]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/test' Testing H2 HF/6-311++Gss followed by TDHF electron dynamics Inline main molecule with 2 atoms. computed -1.132507430 reference -1.132507400 Energy OK computed -0.000000010 reference 0.000000000 Dipole value at time 0 OK computed -0.110392771 reference -0.108660000 Dipole value at time 14 OK computed -0.137740590 reference -0.141730000 Dipole value at time 21 OK computed -0.068456590 reference -0.085040000 Dipole value at time 28 OK computed 0.347093635 reference 0.340160000 Dipole value at time 45 OK computed 0.375979852 reference 0.373230000 Dipole value at time 49 OK computed 0.318679243 reference 0.340160000 Dipole value at time 54 OK computed -0.476241727 reference -0.477170000 Dipole value at time 75 OK computed -0.494592325 reference -0.500790000 Dipole value at time 79 OK computed -0.450316908 reference -0.462990000 Dipole value at time 83 OK computed 0.467383468 reference 0.444090000 Dipole value at time 105 OK computed 0.473974635 reference 0.477170000 Dipole value at time 107 OK computed 0.462554057 reference 0.453540000 Dipole value at time 110 OK computed 0.484315926 reference 0.481890000 Dipole value at time 114 OK computed 0.434203010 reference 0.434650000 Dipole value at time 116 OK TDHF-dynamics tests completed successfully! PASS: test_tdhf_dynamics.sh Testing H UHF STO-3G computed -0.466581855 reference -0.466581900 OK Testing H UHF 6-31G** computed -0.498232518 reference -0.498232900 OK Testing H2[+] UHF STO-3G computed -0.538511301 reference -0.538511300 OK Testing h2o HF 6-31G** computed -76.022640894 reference -76.022643100 OK Testing Be[-] UHF STO-2G computed -13.662578151 reference -13.662579200 OK Testing Be[-] UHF 6-31G* computed -14.493898166 reference -14.493903900 OK Low accuracy tests completed successfully! PASS: test_lowacc.sh Testing h2o B3LYP/6-31G** using g03-style B3LYP computed -76.418054212 reference -76.418048700 OK Testing cnof B3LYP/6-31G using g03-style B3LYP computed -265.391322538 reference -265.391329000 OK Testing nh3[+] UB3LYP/6-31G** using g03-style B3LYP computed -56.163583557 reference -56.163575000 OK computed 0.752351760 reference 0.752352000 OK Hybrid DFT tests completed successfully! PASS: test_dft_hybrid.sh Testing cnof BLYP/STO-2G computed -253.073104481 reference -253.073095400 OK Testing h2o BLYP/6-31G** computed -76.396253202 reference -76.396247000 OK Testing cnof BLYP/6-31G computed -265.352225112 reference -265.352229094 OK Testing nh3[+] UBLYP/6-31G** computed -56.138236791 reference -56.138227200 OK computed 0.752002207 reference 0.752002000 OK Pure DFT tests completed successfully! PASS: test_dft_pure.sh Testing twisted h2o BLYP/6-31G** with HiCu grid computed -76.347433146 reference -76.347465600 OK Testing H4 BHandHLYP/cc-pVDZ with HiCu grid computed -0.261445007 reference -0.261429400 OK Testing H2 BPW91/cc-pVTZ with HiCu grid computed -0.704247412 reference -0.704259300 OK Testing c2h8 LDA/4-31G with sparse XC and HiCu grid computed -80.097355915 reference -80.097373423 OK DFT HiCu grid tests completed successfully! PASS: test_dft_hicu.sh Testing c2h8 LDA/6-31G* computed -80.097376765 reference -80.097373423 OK Testing h2o BLYP/6-31G** computed -76.396253202 reference -76.396247000 OK Sparse DFT tests completed successfully! PASS: test_dft_sparse.sh Testing cnof BHANDHLYP/6-31G computed -265.266735806 reference -265.266739400 Energy OK computed 0.010086800 reference 0.010101500 Dipole X OK computed -0.016956000 reference -0.016942400 Dipole Y OK computed -0.503510800 reference -0.503515700 Dipole Z OK computed -0.068199800 reference -0.068157000 Mulliken charge OK computed 0.579865400 reference 0.579839000 Mulliken charge OK computed -0.321492100 reference -0.321502000 Mulliken charge OK computed -0.190173500 reference -0.190181000 Mulliken charge OK Testing nh3-triplet BHANDHLYP/6-31G** computed -56.244489193 reference -56.244485400 OK computed 2.001894127 reference 2.001894000 OK computed -0.069203000 reference -0.069211200 Dipole X OK computed -0.106022800 reference -0.106011100 Dipole Y OK computed -0.051484600 reference -0.051525700 Dipole Z OK computed 0.087433500 reference 0.087443000 Mulliken charge OK computed -0.029128500 reference -0.029146000 Mulliken charge OK computed -0.029148900 reference -0.029148000 Mulliken charge OK computed -0.029156100 reference -0.029149000 Mulliken charge OK computed 0.744608500 reference 0.744599000 Mulliken spin density OK computed 0.418440900 reference 0.418462000 Mulliken spin density OK computed 0.418477100 reference 0.418473000 Mulliken spin density OK computed 0.418473500 reference 0.418465000 Mulliken spin density OK Dipole moment and Mulliken pop tests completed successfully! PASS: test_dipole_moment.sh Testing cnof HF/STO-3G, no field computed -260.048429469 reference -260.048429600 OK Testing cnof HF/STO-3G, field in X direction computed -260.052282132 reference -260.052282300 OK Testing cnof HF/STO-3G, field in Y direction computed -260.044512598 reference -260.044512700 OK Testing cnof HF/STO-3G, field in Z direction computed -260.049829286 reference -260.049829400 OK External electric field tests completed successfully! PASS: test_ext_elec_field.sh Testing four_h2o HF/6-31G using FMM computed -303.760652168 reference -303.760652100 OK Testing four_h2o HF/6-31G* using FMM computed -303.835270364 reference -303.835270400 OK FMM tests completed successfully! PASS: test_fmm.sh Testing four_h2o B3LYP/6-31G using FMM and g03-style B3LYP computed -305.389363916 reference -305.389359800 OK FMM B3LYP tests completed successfully! PASS: test_fmm_b3lyp.sh Testing four_h2o CAMB3LYP/6-31G using FMM computed -305.279056048 reference -305.279060700 OK Testing cnof CAMB3LYP/6-31G using FMM computed -265.311289973 reference -265.311290620 OK Testing h2o CAMB3LYP/cc-pVDZ using FMM computed -76.391781792 reference -76.391777086 OK FMM CAMB3LYP tests completed successfully! PASS: test_fmm_camb3lyp.sh Testing h2o HF/6-31G** with extra basis funcs from ghost molecule computed -76.025973510 reference -76.025973506 OK Ghost-molecule tests completed successfully! PASS: test_ghost.sh Testing h2 with bond distance 1 au, HF/STO-3G computed -1.065999459 reference -1.065999500 OK Testing h2o HF/6-31G** computed -76.022643114 reference -76.022643100 OK Testing h2o HF/6-31++G** computed -76.030489134 reference -76.030489100 OK Testing h2o HF/cc-pVTZ computed -76.057163033 reference -76.057163000 OK Testing cnof HF/6-31G computed -264.054267894 reference -264.054268200 OK Testing nh3[+] UHF/6-31G** computed -55.854623576 reference -55.854623500 OK computed 0.757013227 reference 0.757013000 OK Hartree-Fock tests completed successfully! PASS: test_hf.sh Testing h2o HF/6-31G** with 6 d-functions computed -76.023158691 reference -76.023158700 OK Testing h2o HF/6-31++G** with 6 d-functions computed -76.030771898 reference -76.030771900 OK Testing nh3[+] UHF/6-31G** with 6 d-functions computed -55.854792516 reference -55.854792400 OK computed 0.757024841 reference 0.757025000 OK 6-d-function tests completed successfully! PASS: test_6_d_funcs.sh Testing h2o HF/6-31G** with matrix blocksize = 1 computed -76.022643114 reference -76.022643100 OK Testing cnof HF/6-31G with matrix blocksize = 1 computed -264.054267894 reference -264.054268200 OK Testing nh3[+] UHF/6-31G** with matrix blocksize = 1 computed -55.854623576 reference -55.854623500 OK computed 0.757013227 reference 0.757013000 OK Block size 1 tests completed successfully! PASS: test_hf_blsz1.sh Testing h2o HF/6-31G** with matrix blocksize = 2 computed -76.022643114 reference -76.022643100 OK Testing cnof HF/6-31G with matrix blocksize = 2 computed -264.054267894 reference -264.054268200 OK Testing nh3[+] UHF/6-31G** with matrix blocksize = 2 computed -55.854623576 reference -55.854623500 OK computed 0.757013227 reference 0.757013000 OK Block size 2 tests completed successfully! PASS: test_hf_blsz2.sh Testing h2o HF/Ahlrichs-VTZ with Fermi-Dirac smearing at T=20000K computed -76.008385779 reference -76.008385440 OK Testing cnof HF/6-31G with Fermi-Dirac smearing at T=20000K computed -264.029586865 reference -264.029586180 OK Hartree-Fock Fermi-Dirac T tests completed successfully! PASS: test_hf_fd.sh Testing CO PBE/6-31Gss Inline main molecule with 2 atoms. Step 1: ssize: 8 |r|= 0.203653 shift= 0.296593 Step 2: ssize: 16 |r|= 0.0429662 shift= 0.282297 Step 3: ssize: 24 |r|= 0.0082135 shift= 0.281877 Step 4: ssize: 32 |r|= 0.000828507 shift= 0.281849 Step 5: ssize: 40 |r|= 4.57534e-05 shift= 0.281849 Step 6: ssize: 48 |r|= 0.000581063 shift= 0.323975 Step 7: ssize: 50 |r|= 2.94867e-05 shift= 0.323975 STATE 1 TRANSITION MOMENT: 0.480542 ENERGY 7.669318 eV STATE 2 TRANSITION MOMENT: 0.0723364 ENERGY 7.669318 eV STATE 3 TRANSITION MOMENT: 5.10285e-16 ENERGY 8.420662 eV STATE 4 TRANSITION MOMENT: -1.14664e-16 ENERGY 8.815585 eV STATE 1 TRANSITION MOMENT: 0.0640297 ENERGY 7.669318 eV STATE 2 TRANSITION MOMENT: -0.479362 ENERGY 7.669318 eV STATE 3 TRANSITION MOMENT: 7.25009e-16 ENERGY 8.420662 eV STATE 4 TRANSITION MOMENT: 8.52905e-16 ENERGY 8.815585 eV STATE 1 TRANSITION MOMENT: 4.56165e-16 ENERGY 7.669318 eV STATE 2 TRANSITION MOMENT: 8.12298e-16 ENERGY 7.669318 eV STATE 3 TRANSITION MOMENT: 1.16317e-07 ENERGY 8.420662 eV STATE 4 TRANSITION MOMENT: -4.46733e-08 ENERGY 8.815585 eV Eigenvalue 1: 0.281848988 Tran.Mom.: 0.484789256 Eigenvalue 2: 0.281848988 Tran.Mom.: 0.484789256 Eigenvalue 3: 0.309461005 Tran.Mom.: 1.163174e-07 Eigenvalue 4: 0.323974518 Tran.Mom.: 4.46732514e-08 computed -113.172411039 reference -113.172417359 Energy OK computed 0.281848988 reference 0.281814700 Eigenvalue 1 OK computed 0.281848988 reference 0.281814700 Eigenvalue 2 OK computed 0.309461005 reference 0.309447904 Eigenvalue 3 OK Pure TD-DFT tests completed successfully! PASS: test_lr_exc.sh Testing CNOF HF/STO-2G Inline main molecule with 4 atoms. Step 1: ssize: 8 |r|= 0.179368 shift= 0.131918 Step 2: ssize: 16 |r|= 0.044901 shift= 0.114581 Step 3: ssize: 24 |r|= 0.00853825 shift= 0.113678 Step 4: ssize: 32 |r|= 0.00237298 shift= 0.113642 Step 5: ssize: 40 |r|= 0.000390658 shift= 0.113641 Step 6: ssize: 48 |r|= 5.06271e-05 shift= 0.113641 Step 7: ssize: 56 |r|= 5.10004e-05 shift= 0.239561 Step 8: ssize: 62 |r|= 2.34438e-05 shift= 0.313192 Step 9: ssize: 66 |r|= 2.34496e-05 shift= 0.378067 STATE 1 TRANSITION MOMENT: 0.132348 ENERGY 3.092263 eV STATE 2 TRANSITION MOMENT: 0.246215 ENERGY 6.518643 eV STATE 3 TRANSITION MOMENT: -0.219893 ENERGY 8.522195 eV STATE 4 TRANSITION MOMENT: 0.394737 ENERGY 10.287478 eV STATE 1 TRANSITION MOMENT: -0.183985 ENERGY 3.092263 eV STATE 2 TRANSITION MOMENT: 0.0709556 ENERGY 6.518643 eV STATE 3 TRANSITION MOMENT: -0.144949 ENERGY 8.522195 eV STATE 4 TRANSITION MOMENT: 0.0830352 ENERGY 10.287478 eV STATE 1 TRANSITION MOMENT: 0.0275899 ENERGY 3.092263 eV STATE 2 TRANSITION MOMENT: -0.110648 ENERGY 6.518643 eV STATE 3 TRANSITION MOMENT: 0.213145 ENERGY 8.522195 eV STATE 4 TRANSITION MOMENT: 0.42368 ENERGY 10.287478 eV Eigenvalue 1: 0.113641288 Tran.Mom.: 0.228314985 Eigenvalue 2: 0.239561431 Tran.Mom.: 0.279104885 Eigenvalue 3: 0.313192384 Tran.Mom.: 0.338813081 Eigenvalue 4: 0.378066892 Tran.Mom.: 0.584993537 computed -252.028041451 reference -252.028041455 Energy OK computed 0.113641288 reference 0.113641340 Eigenvalue 1 OK computed 0.239561431 reference 0.239561530 Eigenvalue 2 OK computed 0.313192384 reference 0.313192480 Eigenvalue 3 OK TD-HF tests completed successfully! PASS: test_lr_exc_hf.sh Testing CO SVWN5/4-31G polarizability Inline main molecule with 4 atoms. Step 1: ssize: 2 |r|= 0.665646 shift= 0.000000 Step 2: ssize: 4 |r|= 0.0353372 shift= 0.000000 Step 3: ssize: 6 |r|= 0.00129968 shift= 0.000000 Step 4: ssize: 8 |r|= 9.22839e-05 shift= 0.000000 Response << X | X >> at freq 0.000000000: -7.877236203 Response << Y | X >> at freq 0.000000000: -3.783260563e-14 Response << Z | X >> at freq 0.000000000: 4.643949572e-14 Step 1: ssize: 2 |r|= 0.683934 shift= 0.000000 Step 2: ssize: 4 |r|= 0.188612 shift= 0.000000 Step 3: ssize: 6 |r|= 0.0206612 shift= 0.000000 Step 4: ssize: 8 |r|= 0.000508812 shift= 0.000000 Step 5: ssize: 10 |r|= 3.88773e-05 shift= 0.000000 Response << X | Y >> at freq 0.000000000: 9.486360524e-14 Response << Y | Y >> at freq 0.000000000: -7.936293526 Response << Z | Y >> at freq 0.000000000: 0.2016009547 Step 1: ssize: 2 |r|= 0.125831 shift= 0.000000 Step 2: ssize: 4 |r|= 0.0534551 shift= 0.000000 Step 3: ssize: 6 |r|= 0.00714745 shift= 0.000000 Step 4: ssize: 8 |r|= 0.000178387 shift= 0.000000 Step 5: ssize: 10 |r|= 2.50874e-05 shift= 0.000000 Response << X | Z >> at freq 0.000000000: 2.686776783e-12 Response << Y | Z >> at freq 0.000000000: 0.2016010497 Response << Z | Z >> at freq 0.000000000: -2.458870529 Step 1: ssize: 2 |r|= 1.05538 shift= 0.200000 Step 2: ssize: 4 |r|= 0.0871235 shift= 0.200000 Step 3: ssize: 6 |r|= 0.00750815 shift= 0.200000 Step 4: ssize: 8 |r|= 0.000760225 shift= 0.200000 Step 5: ssize: 10 |r|= 8.60762e-05 shift= 0.200000 Step 6: ssize: 12 |r|= 1.02508e-05 shift= 0.200000 Response << X | X >> at freq 0.200000000: -8.774082774 Response << Y | X >> at freq 0.200000000: -4.577352897e-13 Response << Z | X >> at freq 0.200000000: 2.057053623e-14 Step 1: ssize: 2 |r|= 1.12037 shift= 0.200000 Step 2: ssize: 4 |r|= 0.304967 shift= 0.200000 Step 3: ssize: 6 |r|= 0.0441749 shift= 0.200000 Step 4: ssize: 8 |r|= 0.00474827 shift= 0.200000 Step 5: ssize: 10 |r|= 0.00141248 shift= 0.200000 Step 6: ssize: 12 |r|= 0.000547612 shift= 0.200000 Step 7: ssize: 14 |r|= 7.72445e-05 shift= 0.200000 Response << X | Y >> at freq 0.200000000: 2.487214339e-15 Response << Y | Y >> at freq 0.200000000: -8.880467471 Response << Z | Y >> at freq 0.200000000: 0.2234719348 Step 1: ssize: 2 |r|= 1.70255 shift= 0.200000 Step 2: ssize: 4 |r|= 0.129137 shift= 0.200000 Step 3: ssize: 6 |r|= 0.030532 shift= 0.200000 Step 4: ssize: 8 |r|= 0.00885443 shift= 0.200000 Step 5: ssize: 10 |r|= 0.000751002 shift= 0.200000 Step 6: ssize: 12 |r|= 0.000214355 shift= 0.200000 Step 7: ssize: 14 |r|= 4.44382e-05 shift= 0.200000 Response << X | Z >> at freq 0.200000000: -6.906551877e-15 Response << Y | Z >> at freq 0.200000000: 0.2234696162 Response << Z | Z >> at freq 0.200000000: -2.849382703 computed -55.985633367 reference -55.985633009 Energy OK Polarisability X X at frequency 0.0 OK Polarisability Y X at frequency 0.0 OK Polarisability Z X at frequency 0.0 OK Polarisability X Y at frequency 0.0 OK Polarisability Y Y at frequency 0.0 OK Polarisability Z Y at frequency 0.0 OK Polarisability X Z at frequency 0.0 OK Polarisability Y Z at frequency 0.0 OK Polarisability Z Z at frequency 0.0 OK Polarisability X X at frequency 0.2 OK Polarisability Y X at frequency 0.2 OK Polarisability Z X at frequency 0.2 OK Polarisability X Y at frequency 0.2 OK Polarisability Y Y at frequency 0.2 OK Polarisability Z Y at frequency 0.2 OK Polarisability X Z at frequency 0.2 OK Polarisability Y Z at frequency 0.2 OK Polarisability Z Z at frequency 0.2 OK Testing HF CAM-B3LYP/aug-cc-pVDZ polarizability Inline main molecule with 2 atoms. Step 1: ssize: 2 |r|= 0.773554 shift= 0.000000 Step 2: ssize: 4 |r|= 0.195947 shift= 0.000000 Step 3: ssize: 6 |r|= 0.0167043 shift= 0.000000 Step 4: ssize: 8 |r|= 0.00223267 shift= 0.000000 Step 5: ssize: 10 |r|= 0.000285376 shift= 0.000000 Step 6: ssize: 12 |r|= 1.62208e-05 shift= 0.000000 Response << X | X >> at freq 0.000000000: -4.458511951 Response << Y | X >> at freq 0.000000000: -1.125702947e-14 Response << Z | X >> at freq 0.000000000: 5.870209099e-16 Step 1: ssize: 2 |r|= 0.773554 shift= 0.000000 Step 2: ssize: 4 |r|= 0.195947 shift= 0.000000 Step 3: ssize: 6 |r|= 0.0167043 shift= 0.000000 Step 4: ssize: 8 |r|= 0.00223267 shift= 0.000000 Step 5: ssize: 10 |r|= 0.000285376 shift= 0.000000 Step 6: ssize: 12 |r|= 1.62208e-05 shift= 0.000000 Response << X | Y >> at freq 0.000000000: -1.124788638e-14 Response << Y | Y >> at freq 0.000000000: -4.458511951 Response << Z | Y >> at freq 0.000000000: -1.776679503e-13 Step 1: ssize: 2 |r|= 1.7161 shift= 0.000000 Step 2: ssize: 4 |r|= 0.476422 shift= 0.000000 Step 3: ssize: 6 |r|= 0.0973386 shift= 0.000000 Step 4: ssize: 8 |r|= 0.00800128 shift= 0.000000 Step 5: ssize: 10 |r|= 0.000902639 shift= 0.000000 Step 6: ssize: 12 |r|= 5.64239e-05 shift= 0.000000 Response << X | Z >> at freq 0.000000000: 7.812698584e-16 Response << Y | Z >> at freq 0.000000000: 3.995665097e-16 Response << Z | Z >> at freq 0.000000000: -6.444213289 Step 1: ssize: 2 |r|= 1.18922 shift= 0.100000 Step 2: ssize: 4 |r|= 0.2247 shift= 0.100000 Step 3: ssize: 6 |r|= 0.0201179 shift= 0.100000 Step 4: ssize: 8 |r|= 0.00200545 shift= 0.100000 Step 5: ssize: 10 |r|= 0.000281116 shift= 0.100000 Step 6: ssize: 12 |r|= 4.22725e-05 shift= 0.100000 Response << X | X >> at freq 0.100000000: -4.583028294 Response << Y | X >> at freq 0.100000000: 5.517593395e-15 Response << Z | X >> at freq 0.100000000: -3.029098536e-13 Step 1: ssize: 2 |r|= 1.18922 shift= 0.100000 Step 2: ssize: 4 |r|= 0.2247 shift= 0.100000 Step 3: ssize: 6 |r|= 0.0201179 shift= 0.100000 Step 4: ssize: 8 |r|= 0.00200545 shift= 0.100000 Step 5: ssize: 10 |r|= 0.000281116 shift= 0.100000 Step 6: ssize: 12 |r|= 4.22725e-05 shift= 0.100000 Response << X | Y >> at freq 0.100000000: 6.248184978e-15 Response << Y | Y >> at freq 0.100000000: -4.583028294 Response << Z | Y >> at freq 0.100000000: -1.420585687e-13 Step 1: ssize: 2 |r|= 2.01393 shift= 0.100000 Step 2: ssize: 4 |r|= 0.346064 shift= 0.100000 Step 3: ssize: 6 |r|= 0.0285336 shift= 0.100000 Step 4: ssize: 8 |r|= 0.00521687 shift= 0.100000 Step 5: ssize: 10 |r|= 0.000647897 shift= 0.100000 Step 6: ssize: 12 |r|= 7.11544e-05 shift= 0.100000 Response << X | Z >> at freq 0.100000000: 2.774020968e-16 Response << Y | Z >> at freq 0.100000000: -3.719714592e-16 Response << Z | Z >> at freq 0.100000000: -6.584667899 computed -100.435402198 reference -100.435400640 Energy OK Polarisability X X at frequency 0.000000000 OK Polarisability Y X at frequency 0.000000000 OK Polarisability Z X at frequency 0.000000000 OK Polarisability X Y at frequency 0.000000000 OK Polarisability Y Y at frequency 0.000000000 OK Polarisability Z Y at frequency 0.000000000 OK Polarisability X Z at frequency 0.000000000 OK Polarisability Y Z at frequency 0.000000000 OK Polarisability Z Z at frequency 0.000000000 OK Polarisability X X at frequency 0.100000000 OK Polarisability Y X at frequency 0.100000000 OK Polarisability Z X at frequency 0.100000000 OK Polarisability X Y at frequency 0.100000000 OK Polarisability Y Y at frequency 0.100000000 OK Polarisability Z Y at frequency 0.100000000 OK Polarisability X Z at frequency 0.100000000 OK Polarisability Y Z at frequency 0.100000000 OK Polarisability Z Z at frequency 0.100000000 OK LR polarizability tests completed successfully! PASS: test_lr_pol.sh Testing three h2o with HF and mixed basis 6-31G 6-31G* 6-31G** Inline main molecule with 9 atoms. Assigning range MAIN 0 [0:2] = 6-31G Assigning range MAIN 1 [3:5] = 6-31Gs computed -228.016771306 reference -228.016771000 OK Mixed basis set tests completed successfully! PASS: test_mixedbasis.sh Testing Li ROHF 3-21G computed -7.381510983 reference -7.381510983 OK Testing O2 SVWN5/6-31Gss computed -149.250773842 reference -149.250773843 OK Testing H2O[+] B3LYP/6-31Gss computed -75.860561653 reference -75.860561961 OK Restricted Open-shell tests completed successfully! PASS: test_roks.sh Testing H UHF STO-3G computed -0.466581855 reference -0.466581900 OK Testing H UHF 6-31G** computed -0.498232911 reference -0.498232900 OK Testing H2[+] UHF STO-3G computed -0.538511345 reference -0.538511300 OK Testing Be[-] UHF STO-2G computed -13.662578159 reference -13.662579200 OK Testing Be[-] UHF 6-31G* computed -14.493903834 reference -14.493903900 OK computed 0.752685357 reference 0.752685000 OK Unrestricted Hartree-Fock tests completed successfully! PASS: test_uhf.sh Testing h2 FCI 6-31G** computed -0.033869092 reference -0.033870000 OK Testing h2o FCI STO-3G computed -75.012425819 reference -75.012425800 OK Testing h2o[+] FCI STO-3G computed -74.694771329 reference -74.694771300 OK Configuration Interaction [CI] tests completed successfully! PASS: test_ci.sh =================== All 24 tests passed =================== make[2]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/test' make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/test' Making check in documentation/source make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1/documentation/source' make[1]: Nothing to be done for `check'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1/documentation/source' make[1]: Entering directory `/builddir/build/BUILD/ergo-3.2.1' make[1]: Nothing to be done for `check-am'. make[1]: Leaving directory `/builddir/build/BUILD/ergo-3.2.1' + exit 0 Processing files: ergo-3.2.1-1.fc18.x86_64 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.zPb039 + umask 022 + cd /builddir/build/BUILD + cd ergo-3.2.1 + DOCDIR=/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/doc/ergo-3.2.1 + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/doc/ergo-3.2.1 + cp -pr ChangeLog COPYING README ergo_license_long.txt ergo_release_notes_3_1.txt ergo_release_notes_3_2.txt ergo_release_notes_3_2_1.txt /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/doc/ergo-3.2.1 + exit 0 Provides: ergo = 3.2.1-1.fc18 ergo(x86-64) = 3.2.1-1.fc18 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libatlas.so.3()(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_2.7)(64bit) libf77blas.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) liblapack.so.3()(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libpthread.so.0()(64bit) libpthread.so.0(GLIBC_2.2.5)(64bit) libpthread.so.0(GLIBC_2.3.2)(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH) Processing files: ergo-doc-3.2.1-1.fc18.noarch Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.fc4Ep9 + umask 022 + cd /builddir/build/BUILD + cd ergo-3.2.1 + DOCDIR=/builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/doc/ergo-doc-3.2.1 + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64/usr/share/doc/ergo-doc-3.2.1 + cp -pr COPYING documentation/html/API__test_8cc.html documentation/html/API__test_8cc.js documentation/html/DebugPolicies_8h.html documentation/html/DebugPolicies_8h.js documentation/html/DebugPolicies_8h_source.html documentation/html/Failure_8h.html documentation/html/Failure_8h_source.html documentation/html/FileWritable_8cc.html documentation/html/FileWritable_8cc.js documentation/html/FileWritable_8h.html 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rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 rpmlib(CompressedFileNames) <= 3.0.4-1 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64 Wrote: /builddir/build/RPMS/ergo-3.2.1-1.fc18.x86_64.rpm Wrote: /builddir/build/RPMS/ergo-doc-3.2.1-1.fc18.noarch.rpm Wrote: /builddir/build/RPMS/ergo-debuginfo-3.2.1-1.fc18.x86_64.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.94YK12 + umask 022 + cd /builddir/build/BUILD + cd ergo-3.2.1 + rm -rf /builddir/build/BUILDROOT/ergo-3.2.1-1.fc18.x86_64 + exit 0 Child return code was: 0 LEAVE do -->