Diff of the two buildlogs: -- --- b1/build.log 2025-03-18 02:38:50.315964506 +0000 +++ b2/build.log 2025-03-18 04:08:28.300448578 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Apr 19 19:52:31 -12 2026 -I: pbuilder-time-stamp: 1776671551 +I: Current time: Tue Mar 18 16:38:53 +14 2025 +I: pbuilder-time-stamp: 1742265533 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -22,52 +22,84 @@ dpkg-source: info: unpacking chemps2_1.8.12-4.debian.tar.xz I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3247147/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2663524/tmp/hooks/D01_modify_environment starting +debug: Running on ionos1-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Mar 18 02:39 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/2663524/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2663524/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='f1718b2e865545598a2e178d240eefae' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='3247147' - PS1='# ' - PS2='> ' + INVOCATION_ID=644f190154174ed9b0ba15c213eb90ea + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=2663524 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Td5vXz7n/pbuilderrc_CLOO --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Td5vXz7n/b1 --logfile b1/build.log chemps2_1.8.12-4.dsc' - SUDO_GID='111' - SUDO_UID='106' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Td5vXz7n/pbuilderrc_OZ7n --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Td5vXz7n/b2 --logfile b2/build.log chemps2_1.8.12-4.dsc' + SUDO_GID=110 + SUDO_UID=105 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos15-amd64 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3247147/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2663524/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -307,7 +339,7 @@ Get: 172 http://deb.debian.org/debian unstable/main amd64 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 173 http://deb.debian.org/debian unstable/main amd64 sphinx-common all 8.1.3-5 [617 kB] Get: 174 http://deb.debian.org/debian unstable/main amd64 python3-sphinx all 8.1.3-5 [468 kB] -Fetched 110 MB in 1s (73.2 MB/s) +Fetched 110 MB in 3s (38.5 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19784 files and directories currently installed.) @@ -870,8 +902,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Mon Apr 20 07:53:45 UTC 2026. -Universal Time is now: Mon Apr 20 07:53:45 UTC 2026. +Local time is now: Tue Mar 18 02:42:39 UTC 2025. +Universal Time is now: Tue Mar 18 02:42:39 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -1045,7 +1077,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/chemps2-1.8.12/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../chemps2_1.8.12-4_source.changes +I: user script /srv/workspace/pbuilder/2663524/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/2663524/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/chemps2-1.8.12/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../chemps2_1.8.12-4_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.12-4 dpkg-buildpackage: info: source distribution unstable @@ -1114,8 +1150,8 @@ -- HDF5 detected. -- Found TargetHDF5: Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libcrypto.so;/usr/lib/x86_64-linux-gnu/libcurl.so;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so (found version 1.14.5) (found version "1.14.5") -- Found Sphinx: /usr/bin/sphinx-build --- Configuring done (6.4s) --- Generating done (0.1s) +-- Configuring done (19.8s) +-- Generating done (0.7s) CMake Warning: Manually-specified variables were not used by the project: @@ -1129,7 +1165,7 @@ debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12' dh_auto_build -- VERBOSE=1 - cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/chemps2-1.8.12 -B/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -1141,110 +1177,110 @@ make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -MF CMakeFiles/chemps2-base.dir/Correlations.cpp.o.d -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Correlations.cpp -[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -MF CMakeFiles/chemps2-base.dir/Cumulant.cpp.o.d -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Cumulant.cpp -[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASPT2.cpp +[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCF.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCF.cpp -[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFdebug.cpp -[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o +[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASPT2.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFnewtonraphson.cpp +[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFdebug.cpp +[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFpt2.cpp -[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o +[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o +[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -MF CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ConjugateGradient.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -MF CMakeFiles/chemps2-base.dir/Davidson.cpp.o.d -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Davidson.cpp -[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o +[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o +[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o +[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o +[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o +[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp +[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -MF CMakeFiles/chemps2-base.dir/Correlations.cpp.o.d -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Correlations.cpp +[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o +[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -MF CMakeFiles/chemps2-base.dir/DIIS.cpp.o.d -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DIIS.cpp +[ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRG.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRG.cpp -[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o -[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o -[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o +[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGfock.cpp -[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o +[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o +[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGmpsio.cpp +[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -MF CMakeFiles/chemps2-base.dir/Cumulant.cpp.o.d -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Cumulant.cpp +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -MF CMakeFiles/chemps2-base.dir/Davidson.cpp.o.d -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Davidson.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGoperators.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGoperators3RDM.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFindices.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFintegrals.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFmatrix.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFoptions.cpp +[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFrotations.cpp +[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFunitary.cpp +[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o +[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFwtilde.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGtechnics.cpp +[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o +[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -MF CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o.d -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/EdmistonRuedenberg.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o -MF CMakeFiles/chemps2-base.dir/Excitation.cpp.o.d -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Excitation.cpp +[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o -MF CMakeFiles/chemps2-base.dir/FCI.cpp.o.d -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/FCI.cpp +[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/FourIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/FourIndex.cpp -[ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams2.cpp -[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o -[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams1.cpp +[ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o [ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -[ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -MF CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o.d -o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Hamiltonian.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagonal.cpp -[ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o +[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o -MF CMakeFiles/chemps2-base.dir/Heff.cpp.o.d -o CMakeFiles/chemps2-base.dir/Heff.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Heff.cpp -[ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o -[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o +[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams1.cpp +[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o +[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o +[ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams2.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams3.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -MF CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o.d -o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Hamiltonian.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams4.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams5.cpp +[ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o -MF CMakeFiles/chemps2-base.dir/Initialize.cpp.o.d -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Initialize.cpp +[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o +[ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams5.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o -MF CMakeFiles/chemps2-base.dir/Irreps.cpp.o.d -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Irreps.cpp [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o -MF CMakeFiles/chemps2-base.dir/Molden.cpp.o.d -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Molden.cpp -[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o -MF CMakeFiles/chemps2-base.dir/Sobject.cpp.o.d -o CMakeFiles/chemps2-base.dir/Sobject.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Sobject.cpp -[ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o +[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -MF CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o.d -o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/PrintLicense.cpp +[ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o -MF CMakeFiles/chemps2-base.dir/Problem.cpp.o.d -o CMakeFiles/chemps2-base.dir/Problem.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Problem.cpp +[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o [ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o -MF CMakeFiles/chemps2-base.dir/Sobject.cpp.o.d -o CMakeFiles/chemps2-base.dir/Sobject.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Sobject.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -MF CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o.d -o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/SyBookkeeper.cpp [ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Tensor3RDM.cpp [ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Tensor3RDM.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorF0.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorF0.cpp [ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorF1.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorF1.cpp [ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorGYZ.cpp -[ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -[ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorL.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorL.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorL.cpp +[ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o +[ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorKM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorKM.cpp -[ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o -[ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorO.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorO.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorO.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorOperator.cpp -[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o +[ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorL.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorL.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorL.cpp +[ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorQ.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorQ.cpp +[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorOperator.cpp [ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorS0.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorS0.cpp [ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o @@ -1270,15 +1306,15 @@ make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build +make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build +make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 66%] Linking CXX static library libchemps2.a -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake -[ 67%] Linking CXX shared library libchemps2.so +[ 66%] Linking CXX shared library libchemps2.so cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 +[ 67%] Linking CXX static library libchemps2.a +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-static.dir/link.txt --verbose=1 /usr/bin/ar qc libchemps2.a "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o" /usr/bin/ranlib libchemps2.a @@ -1292,194 +1328,194 @@ make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake "--color=" make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake "--color=" +make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake "--color=" +make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color=" make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake "--color=" make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake "--color=" make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake "--color=" +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake "--color=" make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake "--color=" cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake "--color=" +make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake "--color=" +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 68%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test1.dir/tests/test1.cpp.o -MF CMakeFiles/test1.dir/tests/test1.cpp.o.d -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test1.cpp -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build -make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 69%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -[ 70%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test2.dir/tests/test2.cpp.o -MF CMakeFiles/test2.dir/tests/test2.cpp.o.d -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test2.cpp +make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build +make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/executable.cpp -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 71%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test3.dir/tests/test3.cpp.o -MF CMakeFiles/test3.dir/tests/test3.cpp.o.d -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test3.cpp make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 72%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test4.dir/tests/test4.cpp.o -MF CMakeFiles/test4.dir/tests/test4.cpp.o.d -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test4.cpp -[ 73%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test9.dir/tests/test9.cpp.o -MF CMakeFiles/test9.dir/tests/test9.cpp.o.d -o CMakeFiles/test9.dir/tests/test9.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test9.cpp -[ 75%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test13.dir/tests/test13.cpp.o -MF CMakeFiles/test13.dir/tests/test13.cpp.o.d -o CMakeFiles/test13.dir/tests/test13.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test13.cpp -[ 76%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o -[ 77%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test5.dir/tests/test5.cpp.o -MF CMakeFiles/test5.dir/tests/test5.cpp.o.d -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test5.cpp -[ 78%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +[ 70%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o +[ 77%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test1.dir/tests/test1.cpp.o -MF CMakeFiles/test1.dir/tests/test1.cpp.o.d -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test1.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test8.dir/tests/test8.cpp.o -MF CMakeFiles/test8.dir/tests/test8.cpp.o.d -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test8.cpp -[ 79%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o -[ 80%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o -[ 81%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test6.dir/tests/test6.cpp.o -MF CMakeFiles/test6.dir/tests/test6.cpp.o.d -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test6.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test7.dir/tests/test7.cpp.o -MF CMakeFiles/test7.dir/tests/test7.cpp.o.d -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test7.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test14.dir/tests/test14.cpp.o -MF CMakeFiles/test14.dir/tests/test14.cpp.o.d -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test14.cpp +[ 83%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o +[ 83%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o +[ 83%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o +[ 78%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test10.dir/tests/test10.cpp.o -MF CMakeFiles/test10.dir/tests/test10.cpp.o.d -o CMakeFiles/test10.dir/tests/test10.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test10.cpp -[ 82%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong 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+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test4.dir/tests/test4.cpp.o -MF CMakeFiles/test4.dir/tests/test4.cpp.o.d -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test4.cpp +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test7.dir/tests/test7.cpp.o -MF CMakeFiles/test7.dir/tests/test7.cpp.o.d -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test7.cpp [ 84%] Linking CXX executable test10 +[ 86%] Linking CXX executable test9 +[ 86%] Linking CXX executable test8 cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 -[ 85%] Linking CXX executable test7 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test10.dir/link.d CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 85%] Built target test10 -[ 86%] Linking CXX executable test13 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test13.dir/link.txt --verbose=1 -[ 88%] Linking CXX executable test5 +cd 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executable test12 +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test13.dir/link.txt --verbose=1 +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 +[ 94%] Linking CXX executable test12 cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test12.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test5.dir/link.d CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 89%] Built target test5 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test7.dir/link.d CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 89%] Built target test7 -[ 90%] Linking CXX executable test4 +[ 95%] Linking CXX executable test4 +[ 97%] Linking CXX executable test14 +[ 97%] Linking CXX executable test6 cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 -[ 91%] Linking CXX executable test6 +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1 -[ 92%] Linking CXX executable test11 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 +[ 98%] Linking CXX executable test7 +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 +[100%] Linking CXX executable chemps2 +cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test12.dir/link.d CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 92%] Built target test12 -[ 93%] Linking CXX executable test9 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 -[ 94%] Linking CXX executable test3 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test6.dir/link.d CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test9.dir/link.d CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 94%] Built target test6 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test13.dir/link.d CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[100%] Built target test12 +[100%] Built target test9 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 94%] Built target test13 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test3.dir/link.d CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[100%] Built target test1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test10.dir/link.d CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 94%] Built target test3 -[ 95%] Linking CXX executable test1 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test4.dir/link.d CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test11.dir/link.d CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test8.dir/link.d CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 95%] Built target test4 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test14.dir/link.d CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 95%] Built target test1 -[ 96%] Linking CXX executable test2 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 -[ 97%] Linking CXX executable test8 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test8.dir/link.txt --verbose=1 +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test5.dir/link.d CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test2.dir/link.d CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 97%] Built target test2 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test11.dir/link.d CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test4.dir/link.d CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 97%] Built target test11 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test9.dir/link.d CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 97%] Built target test9 -[ 98%] Linking CXX executable test14 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 -[100%] Linking CXX executable chemps2 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test8.dir/link.d CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test13.dir/link.d CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[100%] Built target test8 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test14.dir/link.d CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[100%] Built target test10 +[100%] Built target test2 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test3.dir/link.d CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test6.dir/link.d CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +[100%] Built target test13 [100%] Built target test14 +[100%] Built target test11 +[100%] Built target test4 +[100%] Built target test8 +[100%] Built target test5 +[100%] Built target test6 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test7.dir/link.d CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +[100%] Built target test7 +[100%] Built target test3 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/chemps2-bin.dir/link.d "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' [100%] Built target chemps2-bin @@ -1535,11 +1571,11 @@ preparing documents... done copying assets... copying static files... -Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/documentation_options.js Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/language_data.js Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/basic.css -Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/classic.css +Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/documentation_options.js Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/sidebar.js +Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/classic.css copying static files: done copying extra files... copying extra files: done @@ -1587,15 +1623,15 @@ cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu Start 3: test3 -1/3 Test #3: test3 ............................ Passed 84.89 sec +1/3 Test #3: test3 ............................ Passed 410.72 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 17.98 sec +2/3 Test #5: test5 ............................ Passed 77.89 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 95.14 sec +3/3 Test #8: test8 ............................ Passed 493.78 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 198.02 sec +Total Test time (real) = 982.39 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-cpython-313:.. \ LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \ python3 test1.py @@ -1620,156 +1656,156 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 12 -Energy at sites (8, 9) is -100.278483574939 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (7, 8) is -106.851950260764 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (6, 7) is -106.875652263192 - Stats: nIt(DAVIDSON) = 70 -Energy at sites (5, 6) is -106.905827874988 - Stats: nIt(DAVIDSON) = 43 -Energy at sites (4, 5) is -107.637762227236 +Energy at sites (8, 9) is -100.259577535089 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (7, 8) is -106.852852164408 + Stats: nIt(DAVIDSON) = 63 +Energy at sites (6, 7) is -106.893942332875 + Stats: nIt(DAVIDSON) = 68 +Energy at sites (5, 6) is -106.907572302192 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (4, 5) is -107.634166865693 Stats: nIt(DAVIDSON) = 26 -Energy at sites (3, 4) is -107.647971098565 +Energy at sites (3, 4) is -107.648007553131 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647971098565 +Energy at sites (2, 3) is -107.64800755313 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647971098565 +Energy at sites (1, 2) is -107.64800755313 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.456485 seconds -*** |--> S.join = 0.027605 seconds -*** |--> S.solve = 2.179514 seconds -*** |--> S.split = 0.085603 seconds -*** |--> Tensor update = 0.161901 seconds -*** |--> create = 0.017889 seconds -*** |--> destroy = 0.001585 seconds -*** |--> disk write = 0.015704 seconds -*** |--> disk read = 0.008471 seconds -*** |--> calc = 0.118191 seconds -*** Disk write bandwidth = 37.312811269969 MB/s -*** Disk read bandwidth = 69.4066852510588 MB/s -*** Minimum energy = -107.647971098565 +*** Elapsed wall time = 10.124679 seconds +*** |--> S.join = 0.158987 seconds +*** |--> S.solve = 8.864732 seconds +*** |--> S.split = 0.385905 seconds +*** |--> Tensor update = 0.711637 seconds +*** |--> create = 0.038455 seconds +*** |--> destroy = 0.002212 seconds +*** |--> disk write = 0.035824 seconds +*** |--> disk read = 0.054603 seconds +*** |--> calc = 0.580432 seconds +*** Disk write bandwidth = 16.3566432610427 MB/s +*** Disk read bandwidth = 10.7676140644602 MB/s +*** Minimum energy = -107.648007553131 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.647971098565 +Energy at sites (0, 1) is -107.64800755313 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647971098565 +Energy at sites (1, 2) is -107.64800755313 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647971098565 +Energy at sites (2, 3) is -107.64800755313 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.647971098565 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.647985379945 +Energy at sites (3, 4) is -107.64800755313 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (4, 5) is -107.648022314296 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250374752 +Energy at sites (5, 6) is -107.648250451319 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250374752 +Energy at sites (6, 7) is -107.648250451319 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250374752 +Energy at sites (7, 8) is -107.648250451319 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.699701 seconds -*** |--> S.join = 0.035749 seconds -*** |--> S.solve = 0.372427 seconds -*** |--> S.split = 0.105977 seconds -*** |--> Tensor update = 0.183788 seconds -*** |--> create = 0.018931 seconds -*** |--> destroy = 0.001634 seconds -*** |--> disk write = 0.015403 seconds -*** |--> disk read = 0.00825 seconds -*** |--> calc = 0.139507 seconds -*** Disk write bandwidth = 38.1707479557047 MB/s -*** Disk read bandwidth = 71.0255015980114 MB/s -*** Minimum energy = -107.648250374752 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250374752 +*** Elapsed wall time = 3.078083 seconds +*** |--> S.join = 0.159729 seconds +*** |--> S.solve = 1.753746 seconds +*** |--> S.split = 0.435107 seconds +*** |--> Tensor update = 0.726287 seconds +*** |--> create = 0.030898 seconds +*** |--> destroy = 0.002535 seconds +*** |--> disk write = 0.021878 seconds +*** |--> disk read = 0.020248 seconds +*** |--> calc = 0.650633 seconds +*** Disk write bandwidth = 26.8737558625888 MB/s +*** Disk read bandwidth = 28.9391736558472 MB/s +*** Minimum energy = -107.648250451319 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.648250451319 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250374752 +Energy at sites (8, 9) is -107.648250451319 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250374752 +Energy at sites (7, 8) is -107.648250451319 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250374752 +Energy at sites (6, 7) is -107.648250451319 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250374752 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.64825085502 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.648250971985 +Energy at sites (5, 6) is -107.648250451319 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.648250895351 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.648250972567 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250971985 +Energy at sites (2, 3) is -107.648250972567 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250971985 +Energy at sites (1, 2) is -107.648250972567 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.754143 seconds -*** |--> S.join = 0.054647 seconds -*** |--> S.solve = 0.372654 seconds -*** |--> S.split = 0.120864 seconds -*** |--> Tensor update = 0.203518 seconds -*** |--> create = 0.019929 seconds -*** |--> destroy = 0.001526 seconds -*** |--> disk write = 0.015322 seconds -*** |--> disk read = 0.009558 seconds -*** |--> calc = 0.157128 seconds -*** Disk write bandwidth = 38.2430745453331 MB/s -*** Disk read bandwidth = 61.5132905170244 MB/s -*** Minimum energy = -107.648250971985 +*** Elapsed wall time = 2.820362 seconds +*** |--> S.join = 0.157112 seconds +*** |--> S.solve = 1.390407 seconds +*** |--> S.split = 0.450238 seconds +*** |--> Tensor update = 0.817373 seconds +*** |--> create = 0.02664 seconds +*** |--> destroy = 0.010754 seconds +*** |--> disk write = 0.066265 seconds +*** |--> disk read = 0.056437 seconds +*** |--> calc = 0.657154 seconds +*** Disk write bandwidth = 8.84268298775513 MB/s +*** Disk read bandwidth = 10.417705242336 MB/s +*** Minimum energy = -107.648250972567 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250971985 +Energy at sites (0, 1) is -107.648250972567 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250971985 +Energy at sites (1, 2) is -107.648250972567 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250971985 +Energy at sites (2, 3) is -107.648250972567 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250971985 +Energy at sites (3, 4) is -107.648250972567 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.648250972078 +Energy at sites (4, 5) is -107.648250972599 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250974 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250974 +Energy at sites (6, 7) is -107.648250974001 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250974 +Energy at sites (7, 8) is -107.648250974001 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.542882 seconds -*** |--> S.join = 0.035244 seconds -*** |--> S.solve = 0.251108 seconds -*** |--> S.split = 0.100142 seconds -*** |--> Tensor update = 0.154696 seconds -*** |--> create = 0.021098 seconds -*** |--> destroy = 0.002419 seconds -*** |--> disk write = 0.01646 seconds -*** |--> disk read = 0.010656 seconds -*** |--> calc = 0.103989 seconds -*** Disk write bandwidth = 35.7195644448189 MB/s -*** Disk read bandwidth = 54.9887751673793 MB/s -*** Minimum energy = -107.648250974 +*** Elapsed wall time = 2.521663 seconds +*** |--> S.join = 0.13384 seconds +*** |--> S.solve = 1.144209 seconds +*** |--> S.split = 0.451821 seconds +*** |--> Tensor update = 0.788312 seconds +*** |--> create = 0.025678 seconds +*** |--> destroy = 0.010985 seconds +*** |--> disk write = 0.171657 seconds +*** |--> disk read = 0.028567 seconds +*** |--> calc = 0.551298 seconds +*** Disk write bandwidth = 3.42510955429559 MB/s +*** Disk read bandwidth = 20.5117929143275 MB/s +*** Minimum energy = -107.648250974001 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.99248011212694e-07 +*** Energy difference with respect to previous leftright sweep = 5.22681347092657e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 1685 -*** Minimum energy encountered during all instructions = -107.648250974 -*** Minimum energy encountered during the last sweep = -107.648250974 +*** Minimum energy encountered during all instructions = -107.648250974001 +*** Minimum energy encountered during the last sweep = -107.648250974001 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 -Energy at sites (8, 9) is -107.648250974 +Energy at sites (8, 9) is -107.648250974001 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.648250974002 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250974004 Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.648250974004 +Energy at sites (6, 7) is -107.648250974002 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (5, 6) is -107.648250974002 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974008 +Energy at sites (4, 5) is -107.648250974007 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 @@ -1778,18 +1814,18 @@ Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.290113 seconds -*** |--> S.join = 0.037004 seconds -*** |--> S.solve = 0.750292 seconds -*** |--> S.split = 0.085197 seconds -*** |--> Tensor update = 0.41494 seconds -*** |--> create = 0.018614 seconds -*** |--> destroy = 0.002162 seconds -*** |--> disk write = 0.241362 seconds -*** |--> disk read = 0.016473 seconds -*** |--> calc = 0.136231 seconds -*** Disk write bandwidth = 2.42772428213055 MB/s -*** Disk read bandwidth = 35.6913756305299 MB/s +*** Elapsed wall time = 4.970169 seconds +*** |--> S.join = 0.137526 seconds +*** |--> S.solve = 3.411947 seconds +*** |--> S.split = 0.49868 seconds +*** |--> Tensor update = 0.916824 seconds +*** |--> create = 0.042749 seconds +*** |--> destroy = 0.00298 seconds +*** |--> disk write = 0.099336 seconds +*** |--> disk read = 0.070566 seconds +*** |--> calc = 0.701052 seconds +*** Disk write bandwidth = 5.89877172609722 MB/s +*** Disk read bandwidth = 8.33183162942095 MB/s *** Minimum energy = -107.648250974013 *** Maximum discarded weight = 0 ****************************************************************** @@ -1800,32 +1836,32 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250974013 +Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.648250974014 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250974013 +Energy at sites (6, 7) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250974013 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.467612 seconds -*** |--> S.join = 0.045059 seconds -*** |--> S.solve = 0.37711 seconds -*** |--> S.split = 0.105088 seconds -*** |--> Tensor update = 0.937223 seconds -*** |--> create = 0.018444 seconds -*** |--> destroy = 0.002108 seconds -*** |--> disk write = 0.406476 seconds -*** |--> disk read = 0.38109 seconds -*** |--> calc = 0.129016 seconds -*** Disk write bandwidth = 1.4464421780418 MB/s -*** Disk read bandwidth = 1.53759056439055 MB/s +*** Elapsed wall time = 3.459817 seconds +*** |--> S.join = 0.199216 seconds +*** |--> S.solve = 1.855147 seconds +*** |--> S.split = 0.525106 seconds +*** |--> Tensor update = 0.87745 seconds +*** |--> create = 0.038685 seconds +*** |--> destroy = 0.014572 seconds +*** |--> disk write = 0.058284 seconds +*** |--> disk read = 0.051035 seconds +*** |--> calc = 0.714745 seconds +*** Disk write bandwidth = 10.0875717308647 MB/s +*** Disk read bandwidth = 11.4815398879905 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.35003119794419e-11 +*** Energy difference with respect to previous leftright sweep = 1.29318777908338e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1839,54 +1875,54 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 - NOON of irrep Ag = [ 1.99999530444304 , 1.99487994122697 , 1.98267954070188 ]. - NOON of irrep B2g = [ 0.0748715523733496 ]. - NOON of irrep B3g = [ 0.0748715521654469 ]. - NOON of irrep B1u = [ 1.99999681839219 , 1.98658242714213 , 0.0188079712527693 ]. - NOON of irrep B2u = [ 1.9336574461216 ]. - NOON of irrep B3u = [ 1.93365744618062 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009425882233 , 0.0515866772373655 , 0.0764971087618207 , 0.257716819043767 , 0.257716818732858 , 8.47155300583777e-05 , 0.0462800403866724 , 0.100736303588294 , 0.241506019767354 , 0.241506019581197 ]. - Idistance(0) = 1.30939331144901 - Idistance(1) = 5.42402999228165 - Idistance(2) = 26.7355487845539 + Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014 + NOON of irrep Ag = [ 1.9999953044428 , 1.9948799413131 , 1.9826795406683 ]. + NOON of irrep B2g = [ 0.0748715523857515 ]. + NOON of irrep B3g = [ 0.0748715521366044 ]. + NOON of irrep B1u = [ 1.9999968183922 , 1.98658242710928 , 0.0188079712851263 ]. + NOON of irrep B2u = [ 1.93365744609477 ]. + NOON of irrep B3u = [ 1.93365744617206 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00013100942804465 , 0.0515866770653607 , 0.0764971086523293 , 0.257716819058541 , 0.257716818686176 , 8.47155300472328e-05 , 0.0462800404909506 , 0.100736303638554 , 0.241506019826197 , 0.241506019590083 ]. + Idistance(0) = 1.30939331105243 + Idistance(1) = 5.42402999052265 + Idistance(2) = 26.7355487736655 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 2.132751 seconds -*** |--> MPS gauge change = 0.270869 seconds -*** |--> Diagram calc = 0.060401 seconds -*** |--> Tensor update = 1.800129 seconds -*** |--> create = 0.038967 seconds -*** |--> destroy = 0.008056 seconds -*** |--> disk write = 1.319638 seconds -*** |--> disk read = 0.020003 seconds -*** |--> calc = 0.41319 seconds -*** Disk write bandwidth = 0.902238380342042 MB/s -*** Disk read bandwidth = 59.5224742167581 MB/s +*** Elapsed wall time = 3.165927 seconds +*** |--> MPS gauge change = 0.994305 seconds +*** |--> Diagram calc = 0.21334 seconds +*** |--> Tensor update = 1.956121 seconds +*** |--> create = 0.133666 seconds +*** |--> destroy = 0.018095 seconds +*** |--> disk write = 0.197386 seconds +*** |--> disk read = 0.066597 seconds +*** |--> calc = 1.540046 seconds +*** Disk write bandwidth = 6.03197821404665 MB/s +*** Disk read bandwidth = 17.8781033944144 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1824 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0625 MB memory. -FCI::matvec : Wall time = 9.680321 seconds -FCI::matvec : Wall time = 10.8897 seconds -FCI::matvec : Wall time = 10.075654 seconds -FCI::matvec : Wall time = 10.593827 seconds -FCI::matvec : Wall time = 9.609712 seconds -FCI::matvec : Wall time = 11.17766 seconds -FCI::matvec : Wall time = 11.525373 seconds -FCI::matvec : Wall time = 12.084176 seconds -FCI::matvec : Wall time = 9.885092 seconds -FCI::matvec : Wall time = 11.131468 seconds -FCI::matvec : Wall time = 9.226951 seconds -FCI::matvec : Wall time = 9.62181 seconds -FCI::matvec : Wall time = 10.143675 seconds -FCI::matvec : Wall time = 9.651516 seconds -FCI::matvec : Wall time = 9.873855 seconds -FCI::matvec : Wall time = 8.940854 seconds -FCI::matvec : Wall time = 9.148727 seconds -FCI::matvec : Wall time = 9.220943 seconds +FCI::matvec : Wall time = 63.159925 seconds +FCI::matvec : Wall time = 59.243585 seconds +FCI::matvec : Wall time = 50.20376 seconds +FCI::matvec : Wall time = 41.232403 seconds +FCI::matvec : Wall time = 48.654654 seconds +FCI::matvec : Wall time = 44.363583 seconds +FCI::matvec : Wall time = 43.56739 seconds +FCI::matvec : Wall time = 43.031447 seconds +FCI::matvec : Wall time = 38.204166 seconds +FCI::matvec : Wall time = 38.791684 seconds +FCI::matvec : Wall time = 33.759493 seconds +FCI::matvec : Wall time = 27.119652 seconds +FCI::matvec : Wall time = 26.675295 seconds +FCI::matvec : Wall time = 26.652065 seconds +FCI::matvec : Wall time = 32.526608 seconds +FCI::matvec : Wall time = 28.327271 seconds +FCI::matvec : Wall time = 35.839817 seconds +FCI::matvec : Wall time = 30.386755 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 -FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 5.44460298139991e-18 and intended S(S+1) = 0 +FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 4.6903078392749e-18 and intended S(S+1) = 0 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry @@ -1906,114 +1942,114 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 13 -Energy at sites (8, 9) is -102.874093615721 - Stats: nIt(DAVIDSON) = 60 -Energy at sites (7, 8) is -105.581152410892 - Stats: nIt(DAVIDSON) = 62 -Energy at sites (6, 7) is -106.372672330174 - Stats: nIt(DAVIDSON) = 61 -Energy at sites (5, 6) is -107.317898865963 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (8, 9) is -103.261949215442 Stats: nIt(DAVIDSON) = 46 -Energy at sites (4, 5) is -107.325602819343 - Stats: nIt(DAVIDSON) = 25 -Energy at sites (3, 4) is -107.328763285507 +Energy at sites (7, 8) is -106.323146131781 + Stats: nIt(DAVIDSON) = 40 +Energy at sites (6, 7) is -106.38454521401 + Stats: nIt(DAVIDSON) = 58 +Energy at sites (5, 6) is -107.317940730653 + Stats: nIt(DAVIDSON) = 48 +Energy at sites (4, 5) is -107.32561526817 + Stats: nIt(DAVIDSON) = 22 +Energy at sites (3, 4) is -107.328762989053 Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.328764721977 +Energy at sites (2, 3) is -107.328764764111 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764721977 +Energy at sites (1, 2) is -107.328764764111 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.734774 seconds -*** |--> S.join = 0.027148 seconds -*** |--> S.solve = 2.47411 seconds -*** |--> S.split = 0.084664 seconds -*** |--> Tensor update = 0.148111 seconds -*** |--> create = 0.021441 seconds -*** |--> destroy = 0.00191 seconds -*** |--> disk write = 0.015492 seconds -*** |--> disk read = 0.0081 seconds -*** |--> calc = 0.101102 seconds -*** Disk write bandwidth = 54.5330328317135 MB/s -*** Disk read bandwidth = 103.852071879823 MB/s -*** Minimum energy = -107.328764721977 +*** Elapsed wall time = 12.599728 seconds +*** |--> S.join = 0.155378 seconds +*** |--> S.solve = 11.162981 seconds +*** |--> S.split = 0.494729 seconds +*** |--> Tensor update = 0.780617 seconds +*** |--> create = 0.075944 seconds +*** |--> destroy = 0.010836 seconds +*** |--> disk write = 0.033511 seconds +*** |--> disk read = 0.038777 seconds +*** |--> calc = 0.621428 seconds +*** Disk write bandwidth = 25.2104009020592 MB/s +*** Disk read bandwidth = 21.6933177457401 MB/s +*** Minimum energy = -107.328764764111 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328764721977 +Energy at sites (0, 1) is -107.328764764111 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764721977 +Energy at sites (1, 2) is -107.328764764111 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328764721977 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.328764723336 +Energy at sites (2, 3) is -107.328764764111 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.328764766436 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328767002443 +Energy at sites (4, 5) is -107.328767234446 Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.328768891774 +Energy at sites (5, 6) is -107.328768891131 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891774 +Energy at sites (6, 7) is -107.328768891131 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891774 +Energy at sites (7, 8) is -107.32876889113 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.608257 seconds -*** |--> S.join = 0.023376 seconds -*** |--> S.solve = 0.312694 seconds -*** |--> S.split = 0.091859 seconds -*** |--> Tensor update = 0.17768 seconds -*** |--> create = 0.019396 seconds -*** |--> destroy = 0.001708 seconds -*** |--> disk write = 0.014389 seconds -*** |--> disk read = 0.008914 seconds -*** |--> calc = 0.133216 seconds -*** Disk write bandwidth = 58.4614484833249 MB/s -*** Disk read bandwidth = 94.7751564537701 MB/s -*** Minimum energy = -107.328768891774 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768891774 +*** Elapsed wall time = 3.884722 seconds +*** |--> S.join = 0.138714 seconds +*** |--> S.solve = 2.023185 seconds +*** |--> S.split = 0.509588 seconds +*** |--> Tensor update = 1.20935 seconds +*** |--> create = 0.040611 seconds +*** |--> destroy = 0.00525 seconds +*** |--> disk write = 0.395494 seconds +*** |--> disk read = 0.04632 seconds +*** |--> calc = 0.721483 seconds +*** Disk write bandwidth = 2.12696471305902 MB/s +*** Disk read bandwidth = 18.238897768327 MB/s +*** Minimum energy = -107.328768891131 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.32876889113 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768891774 +Energy at sites (8, 9) is -107.32876889113 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891774 +Energy at sites (7, 8) is -107.32876889113 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891774 +Energy at sites (6, 7) is -107.32876889113 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768891774 +Energy at sites (5, 6) is -107.328768891131 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768892222 +Energy at sites (4, 5) is -107.32876889157 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.328768897992 +Energy at sites (3, 4) is -107.328768897991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897992 +Energy at sites (2, 3) is -107.328768897991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897992 +Energy at sites (1, 2) is -107.328768897991 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.513592 seconds -*** |--> S.join = 0.025806 seconds -*** |--> S.solve = 0.246608 seconds -*** |--> S.split = 0.082385 seconds -*** |--> Tensor update = 0.157244 seconds -*** |--> create = 0.022024 seconds -*** |--> destroy = 0.002025 seconds -*** |--> disk write = 0.016852 seconds -*** |--> disk read = 0.010803 seconds -*** |--> calc = 0.105476 seconds -*** Disk write bandwidth = 50.1320759926956 MB/s -*** Disk read bandwidth = 77.8674240698475 MB/s -*** Minimum energy = -107.328768897992 +*** Elapsed wall time = 3.420611 seconds +*** |--> S.join = 0.183949 seconds +*** |--> S.solve = 1.321535 seconds +*** |--> S.split = 0.553469 seconds +*** |--> Tensor update = 1.358313 seconds +*** |--> create = 0.02229 seconds +*** |--> destroy = 0.003595 seconds +*** |--> disk write = 0.545208 seconds +*** |--> disk read = 0.066964 seconds +*** |--> calc = 0.720105 seconds +*** Disk write bandwidth = 1.54954759399882 MB/s +*** Disk read bandwidth = 12.5620002124509 MB/s +*** Minimum energy = -107.328768897991 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897992 +Energy at sites (0, 1) is -107.328768897991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897992 +Energy at sites (1, 2) is -107.328768897991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897992 +Energy at sites (2, 3) is -107.328768897991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897992 +Energy at sites (3, 4) is -107.328768897991 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.328768898017 Stats: nIt(DAVIDSON) = 1 @@ -2024,21 +2060,21 @@ Energy at sites (7, 8) is -107.328768898017 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.456522 seconds -*** |--> S.join = 0.024234 seconds -*** |--> S.solve = 0.18348 seconds -*** |--> S.split = 0.086826 seconds -*** |--> Tensor update = 0.160539 seconds -*** |--> create = 0.021614 seconds -*** |--> destroy = 0.002089 seconds -*** |--> disk write = 0.016719 seconds -*** |--> disk read = 0.008335 seconds -*** |--> calc = 0.111721 seconds -*** Disk write bandwidth = 50.3141205949257 MB/s -*** Disk read bandwidth = 101.35881759195 MB/s +*** Elapsed wall time = 4.768594 seconds +*** |--> S.join = 0.110353 seconds +*** |--> S.solve = 1.082894 seconds +*** |--> S.split = 0.368515 seconds +*** |--> Tensor update = 3.204443 seconds +*** |--> create = 0.037329 seconds +*** |--> destroy = 0.003473 seconds +*** |--> disk write = 2.214866 seconds +*** |--> disk read = 0.471124 seconds +*** |--> calc = 0.477087 seconds +*** Disk write bandwidth = 0.379798047478521 MB/s +*** Disk read bandwidth = 1.79321313418316 MB/s *** Minimum energy = -107.328768898017 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.24342533228628e-09 +*** Energy difference with respect to previous leftright sweep = 6.88672230353404e-09 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 @@ -2048,15 +2084,15 @@ *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.32876889802 +Energy at sites (8, 9) is -107.328768898018 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.328768898026 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (6, 7) is -107.32876889803 +Energy at sites (7, 8) is -107.328768898024 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (6, 7) is -107.328768898031 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.32876889803 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -107.32876889803 +Energy at sites (5, 6) is -107.328768898031 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.328768898031 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.328768898031 Stats: nIt(DAVIDSON) = 10 @@ -2065,18 +2101,18 @@ Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 2.537885 seconds -*** |--> S.join = 0.02711 seconds -*** |--> S.solve = 2.23343 seconds -*** |--> S.split = 0.097997 seconds -*** |--> Tensor update = 0.175529 seconds -*** |--> create = 0.025331 seconds -*** |--> destroy = 0.001988 seconds -*** |--> disk write = 0.013299 seconds -*** |--> disk read = 0.007313 seconds -*** |--> calc = 0.127538 seconds -*** Disk write bandwidth = 63.5255090329278 MB/s -*** Disk read bandwidth = 115.028275977925 MB/s +*** Elapsed wall time = 4.991335 seconds +*** |--> S.join = 0.132896 seconds +*** |--> S.solve = 3.427908 seconds +*** |--> S.split = 0.356294 seconds +*** |--> Tensor update = 1.071016 seconds +*** |--> create = 0.020865 seconds +*** |--> destroy = 0.003154 seconds +*** |--> disk write = 0.313983 seconds +*** |--> disk read = 0.25017 seconds +*** |--> calc = 0.482719 seconds +*** Disk write bandwidth = 2.69067352254392 MB/s +*** Disk read bandwidth = 3.36252061488813 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -2086,9 +2122,9 @@ Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 10 Energy at sites (3, 4) is -107.328768898033 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.328768898033 @@ -2098,21 +2134,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.674251 seconds -*** |--> S.join = 0.023901 seconds -*** |--> S.solve = 0.392582 seconds -*** |--> S.split = 0.082856 seconds -*** |--> Tensor update = 0.172277 seconds -*** |--> create = 0.024247 seconds -*** |--> destroy = 0.002188 seconds -*** |--> disk write = 0.015467 seconds -*** |--> disk read = 0.009524 seconds -*** |--> calc = 0.12079 seconds -*** Disk write bandwidth = 54.3868741337404 MB/s -*** Disk read bandwidth = 88.7049290874534 MB/s +*** Elapsed wall time = 2.874194 seconds +*** |--> S.join = 0.103453 seconds +*** |--> S.solve = 1.654624 seconds +*** |--> S.split = 0.409941 seconds +*** |--> Tensor update = 0.699405 seconds +*** |--> create = 0.040589 seconds +*** |--> destroy = 0.011021 seconds +*** |--> disk write = 0.095873 seconds +*** |--> disk read = 0.024828 seconds +*** |--> calc = 0.526983 seconds +*** Disk write bandwidth = 8.77412600238401 MB/s +*** Disk read bandwidth = 34.0271364841673 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.53477230924182e-11 +*** Energy difference with respect to previous leftright sweep = 1.54614099301398e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2126,51 +2162,51 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 - NOON of irrep Ag = [ 1.99999672241031 , 1.99571463015423 , 1.98497373603995 ]. - NOON of irrep B2g = [ 0.538989905111168 ]. - NOON of irrep B3g = [ 0.53898990496526 ]. - NOON of irrep B1u = [ 1.99999702947249 , 1.99149890562601 , 0.019469066839115 ]. - NOON of irrep B2u = [ 1.46518504976436 ]. - NOON of irrep B3u = [ 1.4651850496171 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862742401849 , 0.0587089373831539 , 0.0554792810141924 , 1.11957630007225 , 1.11957629999396 , 8.52797481884572e-05 , 0.042171862134407 , 0.105000352899758 , 1.11261995848554 , 1.11261995856581 ]. - Idistance(0) = 4.60188108188888 - Idistance(1) = 17.7825010796419 - Idistance(2) = 85.6947708210919 + Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 + NOON of irrep Ag = [ 1.99999672241074 , 1.99571463016286 , 1.98497373602403 ]. + NOON of irrep B2g = [ 0.538989905059237 ]. + NOON of irrep B3g = [ 0.538989905016177 ]. + NOON of irrep B1u = [ 1.99999702947247 , 1.99149890562596 , 0.0194690668466575 ]. + NOON of irrep B2u = [ 1.46518504971292 ]. + NOON of irrep B3u = [ 1.46518504966895 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862739612132 , 0.058708937383387 , 0.0554792810703498 , 1.11957630004333 , 1.11957630002339 , 8.52797482476634e-05 , 0.042171862138186 , 0.105000352918961 , 1.11261995851587 , 1.11261995853708 ]. + Idistance(0) = 4.60188108195047 + Idistance(1) = 17.7825010796503 + Idistance(2) = 85.694770820281 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.684824 seconds -*** |--> MPS gauge change = 0.215053 seconds -*** |--> Diagram calc = 0.047534 seconds -*** |--> Tensor update = 0.421014 seconds -*** |--> create = 0.046077 seconds -*** |--> destroy = 0.00506000000000001 seconds -*** |--> disk write = 0.032752 seconds -*** |--> disk read = 0.018151 seconds -*** |--> calc = 0.318738 seconds -*** Disk write bandwidth = 52.3004406070383 MB/s -*** Disk read bandwidth = 94.3718820319387 MB/s +*** Elapsed wall time = 3.571991 seconds +*** |--> MPS gauge change = 0.875908 seconds +*** |--> Diagram calc = 0.211985 seconds +*** |--> Tensor update = 2.477542 seconds +*** |--> create = 0.120926 seconds +*** |--> destroy = 0.008055 seconds +*** |--> disk write = 0.671738 seconds +*** |--> disk read = 0.255895 seconds +*** |--> calc = 1.420504 seconds +*** Disk write bandwidth = 2.55001805876952 MB/s +*** Disk read bandwidth = 6.69393317869329 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1160 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0751953125 MB memory. -FCI::matvec : Wall time = 9.966259 seconds -FCI::matvec : Wall time = 8.613632 seconds -FCI::matvec : Wall time = 8.815806 seconds -FCI::matvec : Wall time = 9.525128 seconds -FCI::matvec : Wall time = 8.64692 seconds -FCI::matvec : Wall time = 8.940358 seconds -FCI::matvec : Wall time = 8.253007 seconds -FCI::matvec : Wall time = 9.129802 seconds -FCI::matvec : Wall time = 9.149566 seconds -FCI::matvec : Wall time = 8.673906 seconds -FCI::matvec : Wall time = 9.797653 seconds -FCI::matvec : Wall time = 9.367966 seconds -FCI::matvec : Wall time = 9.074292 seconds -FCI::matvec : Wall time = 9.850848 seconds -FCI::matvec : Wall time = 10.184899 seconds -FCI::matvec : Wall time = 9.683708 seconds -FCI::matvec : Wall time = 10.705758 seconds +FCI::matvec : Wall time = 44.860175 seconds +FCI::matvec : Wall time = 44.087342 seconds +FCI::matvec : Wall time = 37.895219 seconds +FCI::matvec : Wall time = 42.563771 seconds +FCI::matvec : Wall time = 37.895513 seconds +FCI::matvec : Wall time = 26.399432 seconds +FCI::matvec : Wall time = 26.675558 seconds +FCI::matvec : Wall time = 26.855544 seconds +FCI::matvec : Wall time = 26.983766 seconds +FCI::matvec : Wall time = 27.552576 seconds +FCI::matvec : Wall time = 27.174969 seconds +FCI::matvec : Wall time = 29.079536 seconds +FCI::matvec : Wall time = 38.895696 seconds +FCI::matvec : Wall time = 44.903733 seconds +FCI::matvec : Wall time = 41.035343 seconds +FCI::matvec : Wall time = 33.89149 seconds +FCI::matvec : Wall time = 32.979446 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898033 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -2192,177 +2228,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 14 -Energy at sites (8, 9) is -102.105363934157 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (7, 8) is -106.983138175864 Stats: nIt(DAVIDSON) = 15 -Energy at sites (6, 7) is -106.994516381999 +Energy at sites (8, 9) is -103.121054436992 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (7, 8) is -105.670265113603 + Stats: nIt(DAVIDSON) = 30 +Energy at sites (6, 7) is -106.994642554342 Stats: nIt(DAVIDSON) = 17 -Energy at sites (5, 6) is -106.994974709059 +Energy at sites (5, 6) is -106.995301222645 Stats: nIt(DAVIDSON) = 16 -Energy at sites (4, 5) is -106.996961764762 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -106.999478013075 +Energy at sites (4, 5) is -106.996926473641 + Stats: nIt(DAVIDSON) = 22 +Energy at sites (3, 4) is -106.999863089966 Stats: nIt(DAVIDSON) = 14 -Energy at sites (2, 3) is -107.007869830356 +Energy at sites (2, 3) is -107.007877546334 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007869830356 +Energy at sites (1, 2) is -107.007877546334 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.505669 seconds -*** |--> S.join = 0.032247 seconds -*** |--> S.solve = 1.228957 seconds -*** |--> S.split = 0.08766 seconds -*** |--> Tensor update = 0.155151 seconds -*** |--> create = 0.017394 seconds -*** |--> destroy = 0.00214 seconds -*** |--> disk write = 0.014434 seconds -*** |--> disk read = 0.008983 seconds -*** |--> calc = 0.112134 seconds -*** Disk write bandwidth = 13.5298331589584 MB/s -*** Disk read bandwidth = 21.6193073352965 MB/s -*** Minimum energy = -107.007869830356 +*** Elapsed wall time = 5.14719 seconds +*** |--> S.join = 0.090458 seconds +*** |--> S.solve = 4.240777 seconds +*** |--> S.split = 0.315388 seconds +*** |--> Tensor update = 0.50004 seconds +*** |--> create = 0.015762 seconds +*** |--> destroy = 0.002489 seconds +*** |--> disk write = 0.042959 seconds +*** |--> disk read = 0.014226 seconds +*** |--> calc = 0.424516 seconds +*** Disk write bandwidth = 4.54595339315176 MB/s +*** Disk read bandwidth = 13.6514999151532 MB/s +*** Minimum energy = -107.007877546334 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007869830356 +Energy at sites (0, 1) is -107.007877546334 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007869830356 +Energy at sites (1, 2) is -107.007877546334 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007869830356 +Energy at sites (2, 3) is -107.007877546334 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007870282756 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -107.007874660721 +Energy at sites (3, 4) is -107.007878016033 Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -107.007920325407 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -107.007920328753 +Energy at sites (4, 5) is -107.007882473311 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (5, 6) is -107.007920272091 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (6, 7) is -107.007920281072 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920328753 +Energy at sites (7, 8) is -107.007920281072 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.786131 seconds -*** |--> S.join = 0.03719 seconds -*** |--> S.solve = 0.432362 seconds -*** |--> S.split = 0.097014 seconds -*** |--> Tensor update = 0.217321 seconds -*** |--> create = 0.018726 seconds -*** |--> destroy = 0.002314 seconds -*** |--> disk write = 0.018208 seconds -*** |--> disk read = 0.011939 seconds -*** |--> calc = 0.166064 seconds -*** Disk write bandwidth = 10.6659840615646 MB/s -*** Disk read bandwidth = 16.3572838442421 MB/s -*** Minimum energy = -107.007920328753 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920328753 +*** Elapsed wall time = 2.454456 seconds +*** |--> S.join = 0.113242 seconds +*** |--> S.solve = 1.451753 seconds +*** |--> S.split = 0.335436 seconds +*** |--> Tensor update = 0.553474 seconds +*** |--> create = 0.017515 seconds +*** |--> destroy = 0.003253 seconds +*** |--> disk write = 0.031379 seconds +*** |--> disk read = 0.0264 seconds +*** |--> calc = 0.474846 seconds +*** Disk write bandwidth = 6.18905120599665 MB/s +*** Disk read bandwidth = 7.39733378092448 MB/s +*** Minimum energy = -107.007920281072 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.007920281072 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920328753 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920328753 +Energy at sites (8, 9) is -107.007920281072 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920328753 +Energy at sites (7, 8) is -107.007920281072 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.007920328753 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920355952 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007920411926 +Energy at sites (6, 7) is -107.007920281072 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (5, 6) is -107.007920281216 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -107.007920596862 +Energy at sites (4, 5) is -107.007920316339 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.007920366614 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -107.007920596039 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596862 +Energy at sites (1, 2) is -107.007920596039 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.574564 seconds -*** |--> S.join = 0.034157 seconds -*** |--> S.solve = 0.273996 seconds -*** |--> S.split = 0.09649 seconds -*** |--> Tensor update = 0.163851 seconds -*** |--> create = 0.016938 seconds -*** |--> destroy = 0.001984 seconds -*** |--> disk write = 0.012722 seconds -*** |--> disk read = 0.007667 seconds -*** |--> calc = 0.12448 seconds -*** Disk write bandwidth = 15.350543296369 MB/s -*** Disk read bandwidth = 25.3301470970352 MB/s -*** Minimum energy = -107.007920596862 +*** Elapsed wall time = 2.523557 seconds +*** |--> S.join = 0.124359 seconds +*** |--> S.solve = 1.289086 seconds +*** |--> S.split = 0.379039 seconds +*** |--> Tensor update = 0.730197 seconds +*** |--> create = 0.015367 seconds +*** |--> destroy = 0.026699 seconds +*** |--> disk write = 0.043384 seconds +*** |--> disk read = 0.041952 seconds +*** |--> calc = 0.602669 seconds +*** Disk write bandwidth = 4.50142015066398 MB/s +*** Disk read bandwidth = 4.62924861253263 MB/s +*** Minimum energy = -107.007920596039 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596862 +Energy at sites (0, 1) is -107.007920596039 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596862 +Energy at sites (1, 2) is -107.007920596039 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596862 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.00792059697 +Energy at sites (2, 3) is -107.007920596039 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920597008 +Energy at sites (3, 4) is -107.007920596162 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.007920599376 +Energy at sites (4, 5) is -107.007920596192 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (5, 6) is -107.007920599382 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920599376 +Energy at sites (6, 7) is -107.007920599382 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920599377 +Energy at sites (7, 8) is -107.007920599382 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.558644 seconds -*** |--> S.join = 0.034232 seconds -*** |--> S.solve = 0.234371 seconds -*** |--> S.split = 0.100023 seconds -*** |--> Tensor update = 0.187277 seconds -*** |--> create = 0.016511 seconds -*** |--> destroy = 0.001794 seconds -*** |--> disk write = 0.012447 seconds -*** |--> disk read = 0.007003 seconds -*** |--> calc = 0.149473 seconds -*** Disk write bandwidth = 15.6026542775744 MB/s -*** Disk read bandwidth = 27.8865645889485 MB/s -*** Minimum energy = -107.007920599377 +*** Elapsed wall time = 2.699873 seconds +*** |--> S.join = 0.144743 seconds +*** |--> S.solve = 1.262476 seconds +*** |--> S.split = 0.446513 seconds +*** |--> Tensor update = 0.845495 seconds +*** |--> create = 0.032569 seconds +*** |--> destroy = 0.007615 seconds +*** |--> disk write = 0.042134 seconds +*** |--> disk read = 0.074519 seconds +*** |--> calc = 0.688529 seconds +*** Disk write bandwidth = 4.60925233286583 MB/s +*** Disk read bandwidth = 2.62066871289747 MB/s +*** Minimum energy = -107.007920599382 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.70623701226214e-07 +*** Energy difference with respect to previous leftright sweep = 3.18309787417093e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 631 -*** Minimum energy encountered during all instructions = -107.007920599377 -*** Minimum energy encountered during the last sweep = -107.007920599377 +*** Minimum energy encountered during all instructions = -107.007920599382 +*** Minimum energy encountered during the last sweep = -107.007920599382 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.007920599381 +Energy at sites (8, 9) is -107.007920599384 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599399 +Energy at sites (7, 8) is -107.007920599387 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.007920599403 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (5, 6) is -107.007920599406 +Energy at sites (6, 7) is -107.007920599391 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.007920599407 +Energy at sites (5, 6) is -107.007920599391 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -107.007920599391 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599407 +Energy at sites (3, 4) is -107.007920599392 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.164087 seconds -*** |--> S.join = 0.030723 seconds -*** |--> S.solve = 0.849173 seconds -*** |--> S.split = 0.084457 seconds -*** |--> Tensor update = 0.198405 seconds -*** |--> create = 0.016598 seconds -*** |--> destroy = 0.001896 seconds -*** |--> disk write = 0.048558 seconds -*** |--> disk read = 0.0082 seconds -*** |--> calc = 0.123091 seconds -*** Disk write bandwidth = 4.02178038256119 MB/s -*** Disk read bandwidth = 23.6836875357279 MB/s +*** Elapsed wall time = 5.438771 seconds +*** |--> S.join = 0.146898 seconds +*** |--> S.solve = 3.948535 seconds +*** |--> S.split = 0.428161 seconds +*** |--> Tensor update = 0.914311 seconds +*** |--> create = 0.032313 seconds +*** |--> destroy = 0.003153 seconds +*** |--> disk write = 0.189447 seconds +*** |--> disk read = 0.051285 seconds +*** |--> calc = 0.637977 seconds +*** Disk write bandwidth = 1.03084035015812 MB/s +*** Disk read bandwidth = 3.78680389573889 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2374,31 +2410,31 @@ Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 - Stats: nIt(DAVIDSON) = 11 + Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.007920599438 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -107.007920599438 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (5, 6) is -107.007920599439 + Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.007920599439 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.778604 seconds -*** |--> S.join = 0.037551 seconds -*** |--> S.solve = 0.488946 seconds -*** |--> S.split = 0.086234 seconds -*** |--> Tensor update = 0.164518 seconds -*** |--> create = 0.016832 seconds -*** |--> destroy = 0.002135 seconds -*** |--> disk write = 0.013191 seconds -*** |--> disk read = 0.008092 seconds -*** |--> calc = 0.124206 seconds -*** Disk write bandwidth = 14.7226319303289 MB/s -*** Disk read bandwidth = 24.1336643371733 MB/s +*** Elapsed wall time = 4.204642 seconds +*** |--> S.join = 0.184364 seconds +*** |--> S.solve = 2.515886 seconds +*** |--> S.split = 0.410887 seconds +*** |--> Tensor update = 1.092702 seconds +*** |--> create = 0.033147 seconds +*** |--> destroy = 0.011281 seconds +*** |--> disk write = 0.373427 seconds +*** |--> disk read = 0.046245 seconds +*** |--> calc = 0.628434 seconds +*** Disk write bandwidth = 0.520064799259209 MB/s +*** Disk read bandwidth = 4.22293462680087 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.21014351054328e-11 +*** Energy difference with respect to previous leftright sweep = 5.698552740796e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2413,45 +2449,45 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599438 - NOON of irrep Ag = [ 1.99999761728647 , 1.99817458665293 , 1.99099529649592 ]. - NOON of irrep B2g = [ 0.999157310970461 ]. - NOON of irrep B3g = [ 0.999157311001815 ]. - NOON of irrep B1u = [ 1.99999763398147 , 1.99356772578623 , 0.0151843205934362 ]. - NOON of irrep B2u = [ 1.00188409860029 ]. - NOON of irrep B3u = [ 1.00188409863096 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.8562490727242e-05 , 0.0439795106359559 , 0.0191227067293556 , 0.71007326327747 , 0.710073263103033 , 0.000114194275525259 , 0.0501988281237684 , 0.0847680579756075 , 0.709393186288483 , 0.70939318645466 ]. - Idistance(0) = 1.96740724191512 - Idistance(1) = 7.24682977232761 - Idistance(2) = 34.6048710016147 + NOON of irrep Ag = [ 1.9999976172853 , 1.99817458750342 , 1.99099529616207 ]. + NOON of irrep B2g = [ 0.999157310998736 ]. + NOON of irrep B3g = [ 0.999157310947565 ]. + NOON of irrep B1u = [ 1.99999763398156 , 1.99356772574033 , 0.0151843201472289 ]. + NOON of irrep B2u = [ 1.00188409864834 ]. + NOON of irrep B3u = [ 1.00188409858545 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624958036251e-05 , 0.0439795144395426 , 0.0191227032263773 , 0.710073263040809 , 0.710073263445548 , 0.000114194275625608 , 0.050198827594556 , 0.084768056104319 , 0.709393186624502 , 0.709393186238713 ]. + Idistance(0) = 1.96740723874618 + Idistance(1) = 7.24682975868063 + Idistance(2) = 34.6048709619615 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.699663 seconds -*** |--> MPS gauge change = 0.213733 seconds -*** |--> Diagram calc = 0.056244 seconds -*** |--> Tensor update = 0.428749 seconds -*** |--> create = 0.041073 seconds -*** |--> destroy = 0.00824500000000001 seconds -*** |--> disk write = 0.035312 seconds -*** |--> disk read = 0.022005 seconds -*** |--> calc = 0.32189 seconds -*** Disk write bandwidth = 11.5882016222132 MB/s -*** Disk read bandwidth = 18.595890737723 MB/s +*** Elapsed wall time = 2.451089 seconds +*** |--> MPS gauge change = 0.762566 seconds +*** |--> Diagram calc = 0.204095 seconds +*** |--> Tensor update = 1.483199 seconds +*** |--> create = 0.064356 seconds +*** |--> destroy = 0.006929 seconds +*** |--> disk write = 0.072309 seconds +*** |--> disk read = 0.0386 seconds +*** |--> calc = 1.300638 seconds +*** Disk write bandwidth = 5.65908221222246 MB/s +*** Disk read bandwidth = 10.6011029969843 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory. -FCI::matvec : Wall time = 7.565622 seconds -FCI::matvec : Wall time = 7.665868 seconds -FCI::matvec : Wall time = 7.519401 seconds -FCI::matvec : Wall time = 8.14447 seconds -FCI::matvec : Wall time = 7.868748 seconds -FCI::matvec : Wall time = 8.288512 seconds -FCI::matvec : Wall time = 7.382695 seconds -FCI::matvec : Wall time = 7.799991 seconds -FCI::matvec : Wall time = 7.875704 seconds -FCI::matvec : Wall time = 8.065425 seconds -FCI::matvec : Wall time = 8.009378 seconds -FCI::matvec : Wall time = 6.201124 seconds +FCI::matvec : Wall time = 23.019884 seconds +FCI::matvec : Wall time = 37.451863 seconds +FCI::matvec : Wall time = 49.295771 seconds +FCI::matvec : Wall time = 46.775768 seconds +FCI::matvec : Wall time = 50.095738 seconds +FCI::matvec : Wall time = 58.231735 seconds +FCI::matvec : Wall time = 57.307657 seconds +FCI::matvec : Wall time = 60.551707 seconds +FCI::matvec : Wall time = 48.187679 seconds +FCI::matvec : Wall time = 46.511784 seconds +FCI::matvec : Wall time = 41.763716 seconds +FCI::matvec : Wall time = 43.031737 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 @@ -2473,292 +2509,292 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 10 -Energy at sites (8, 9) is -101.74642961856 - Stats: nIt(DAVIDSON) = 25 -Energy at sites (7, 8) is -105.793608897719 - Stats: nIt(DAVIDSON) = 49 -Energy at sites (6, 7) is -105.9037028634 - Stats: nIt(DAVIDSON) = 56 -Energy at sites (5, 6) is -105.907425064461 - Stats: nIt(DAVIDSON) = 38 -Energy at sites (4, 5) is -106.143787190262 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (8, 9) is -102.684451931452 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (7, 8) is -105.79149245554 + Stats: nIt(DAVIDSON) = 55 +Energy at sites (6, 7) is -105.903327462882 + Stats: nIt(DAVIDSON) = 31 +Energy at sites (5, 6) is -106.010118768204 + Stats: nIt(DAVIDSON) = 31 +Energy at sites (4, 5) is -106.155803197233 Stats: nIt(DAVIDSON) = 38 -Energy at sites (3, 4) is -106.161143808283 +Energy at sites (3, 4) is -106.170696472619 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.161143842011 +Energy at sites (2, 3) is -106.170696534723 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.161143842011 +Energy at sites (1, 2) is -106.170696534723 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.701133 seconds -*** |--> S.join = 0.035408 seconds -*** |--> S.solve = 2.392507 seconds -*** |--> S.split = 0.091848 seconds -*** |--> Tensor update = 0.180032 seconds -*** |--> create = 0.018241 seconds -*** |--> destroy = 0.002066 seconds -*** |--> disk write = 0.015817 seconds -*** |--> disk read = 0.010265 seconds -*** |--> calc = 0.133568 seconds -*** Disk write bandwidth = 12.7621243287483 MB/s -*** Disk read bandwidth = 19.5591959556137 MB/s -*** Minimum energy = -106.161143842011 +*** Elapsed wall time = 14.024666 seconds +*** |--> S.join = 0.185168 seconds +*** |--> S.solve = 12.053762 seconds +*** |--> S.split = 0.611737 seconds +*** |--> Tensor update = 1.173157 seconds +*** |--> create = 0.048139 seconds +*** |--> destroy = 0.019322 seconds +*** |--> disk write = 0.160407 seconds +*** |--> disk read = 0.059152 seconds +*** |--> calc = 0.885972 seconds +*** Disk write bandwidth = 1.25841466088021 MB/s +*** Disk read bandwidth = 3.39422414262197 MB/s +*** Minimum energy = -106.170696534723 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.161143842011 +Energy at sites (0, 1) is -106.170696534723 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.161143842011 +Energy at sites (1, 2) is -106.170696534723 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.161143842011 +Energy at sites (2, 3) is -106.170696534723 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.161143842011 +Energy at sites (3, 4) is -106.170696534723 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.161362908088 +Energy at sites (4, 5) is -106.170729074067 Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -106.190900951588 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.190900951889 +Energy at sites (5, 6) is -106.191084074746 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (6, 7) is -106.191084074746 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.190900951889 +Energy at sites (7, 8) is -106.191084074746 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.575216 seconds -*** |--> S.join = 0.025907 seconds -*** |--> S.solve = 0.320904 seconds -*** |--> S.split = 0.073381 seconds -*** |--> Tensor update = 0.152949 seconds -*** |--> create = 0.019726 seconds -*** |--> destroy = 0.00232 seconds -*** |--> disk write = 0.017673 seconds -*** |--> disk read = 0.011515 seconds -*** |--> calc = 0.101633 seconds -*** Disk write bandwidth = 11.3605582801095 MB/s -*** Disk read bandwidth = 17.5300495447514 MB/s -*** Minimum energy = -106.190900951889 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.190900951889 +*** Elapsed wall time = 5.027081 seconds +*** |--> S.join = 0.220927 seconds +*** |--> S.solve = 2.873916 seconds +*** |--> S.split = 0.658983 seconds +*** |--> Tensor update = 1.272306 seconds +*** |--> create = 0.061235 seconds +*** |--> destroy = 0.002451 seconds +*** |--> disk write = 0.202882 seconds +*** |--> disk read = 0.028696 seconds +*** |--> calc = 0.976894 seconds +*** Disk write bandwidth = 0.989615374869998 MB/s +*** Disk read bandwidth = 7.03437832826221 MB/s +*** Minimum energy = -106.191084074746 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191084074746 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.190900951889 +Energy at sites (8, 9) is -106.191084074746 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.190900951889 +Energy at sites (7, 8) is -106.191084074746 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.190900951889 +Energy at sites (6, 7) is -106.191084074746 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.190900951889 +Energy at sites (5, 6) is -106.191084074746 Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -106.191208591733 +Energy at sites (4, 5) is -106.19141779829 Stats: nIt(DAVIDSON) = 10 -Energy at sites (3, 4) is -106.19145540035 +Energy at sites (3, 4) is -106.191461445759 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -106.191455402955 +Energy at sites (2, 3) is -106.191461446293 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191455402955 +Energy at sites (1, 2) is -106.191461446293 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.63465 seconds -*** |--> S.join = 0.032803 seconds -*** |--> S.solve = 0.33607 seconds -*** |--> S.split = 0.0901400000000001 seconds -*** |--> Tensor update = 0.175063 seconds -*** |--> create = 0.017179 seconds -*** |--> destroy = 0.004436 seconds -*** |--> disk write = 0.017965 seconds -*** |--> disk read = 0.010328 seconds -*** |--> calc = 0.125092 seconds -*** Disk write bandwidth = 11.2362104373956 MB/s -*** Disk read bandwidth = 19.4398863753268 MB/s -*** Minimum energy = -106.191455402955 +*** Elapsed wall time = 5.213248 seconds +*** |--> S.join = 0.221715 seconds +*** |--> S.solve = 2.824153 seconds +*** |--> S.split = 0.679685 seconds +*** |--> Tensor update = 1.486472 seconds +*** |--> create = 0.053216 seconds +*** |--> destroy = 0.00301 seconds +*** |--> disk write = 0.333697 seconds +*** |--> disk read = 0.043465 seconds +*** |--> calc = 1.052874 seconds +*** Disk write bandwidth = 0.604915598605359 MB/s +*** Disk read bandwidth = 4.61923723649776 MB/s +*** Minimum energy = -106.191461446293 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191455402955 +Energy at sites (0, 1) is -106.191461446293 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191455402955 +Energy at sites (1, 2) is -106.191461446293 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191455402955 +Energy at sites (2, 3) is -106.191461446293 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191455402955 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -106.191455735762 +Energy at sites (3, 4) is -106.191461446293 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -106.191461468325 Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -106.191466464162 +Energy at sites (5, 6) is -106.191466453528 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191466464189 +Energy at sites (6, 7) is -106.191466453566 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466464189 +Energy at sites (7, 8) is -106.191466453566 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.543126 seconds -*** |--> S.join = 0.02347 seconds -*** |--> S.solve = 0.28641 seconds -*** |--> S.split = 0.075418 seconds -*** |--> Tensor update = 0.156453 seconds -*** |--> create = 0.018602 seconds -*** |--> destroy = 0.002203 seconds -*** |--> disk write = 0.02986 seconds -*** |--> disk read = 0.010908 seconds -*** |--> calc = 0.094811 seconds -*** Disk write bandwidth = 6.72388300349548 MB/s -*** Disk read bandwidth = 18.505548268043 MB/s -*** Minimum energy = -106.191466464189 +*** Elapsed wall time = 4.863114 seconds +*** |--> S.join = 0.232359 seconds +*** |--> S.solve = 2.393528 seconds +*** |--> S.split = 0.658936 seconds +*** |--> Tensor update = 1.577113 seconds +*** |--> create = 0.059511 seconds +*** |--> destroy = 0.032094 seconds +*** |--> disk write = 0.258385 seconds +*** |--> disk read = 0.159308 seconds +*** |--> calc = 1.067564 seconds +*** Disk write bandwidth = 0.777038707681851 MB/s +*** Disk read bandwidth = 1.26709594312786 MB/s +*** Minimum energy = -106.191466453566 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 0.000565512300454429 +*** Energy difference with respect to previous leftright sweep = 0.000382378820489748 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 621 -*** Minimum energy encountered during all instructions = -106.191466464189 -*** Minimum energy encountered during the last sweep = -106.191466464189 +*** Minimum energy encountered during all instructions = -106.191466453566 +*** Minimum energy encountered during the last sweep = -106.191466453566 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -106.19146646419 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (8, 9) is -106.191466453567 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -106.19146646419 +Energy at sites (7, 8) is -106.191466453567 Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -106.191466464191 +Energy at sites (6, 7) is -106.191466453567 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.191466464197 +Energy at sites (5, 6) is -106.19146645357 Stats: nIt(DAVIDSON) = 17 -Energy at sites (4, 5) is -106.191466500652 - Stats: nIt(DAVIDSON) = 19 -Energy at sites (3, 4) is -106.191466570803 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -106.191466570819 +Energy at sites (4, 5) is -106.19146654329 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (3, 4) is -106.19146656856 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -106.191466568561 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466570819 +Energy at sites (1, 2) is -106.191466568561 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.047171 seconds -*** |--> S.join = 0.028095 seconds -*** |--> S.solve = 0.798749 seconds -*** |--> S.split = 0.071257 seconds -*** |--> Tensor update = 0.14825 seconds -*** |--> create = 0.017658 seconds -*** |--> destroy = 0.00189 seconds -*** |--> disk write = 0.0238140000000001 seconds -*** |--> disk read = 0.00758 seconds -*** |--> calc = 0.09724 seconds -*** Disk write bandwidth = 8.47646428604233 MB/s -*** Disk read bandwidth = 26.4874863435851 MB/s -*** Minimum energy = -106.191466570819 +*** Elapsed wall time = 8.345446 seconds +*** |--> S.join = 0.200084 seconds +*** |--> S.solve = 6.157806 seconds +*** |--> S.split = 0.698133 seconds +*** |--> Tensor update = 1.28833 seconds +*** |--> create = 0.053543 seconds +*** |--> destroy = 0.002791 seconds +*** |--> disk write = 0.066122 seconds +*** |--> disk read = 0.14966 seconds +*** |--> calc = 1.016049 seconds +*** Disk write bandwidth = 3.05281934163837 MB/s +*** Disk read bandwidth = 1.34154180465305 MB/s +*** Minimum energy = -106.191466568561 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.19146657082 +Energy at sites (0, 1) is -106.191466568561 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466570819 +Energy at sites (1, 2) is -106.191466568561 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466570819 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (3, 4) is -106.191466570819 +Energy at sites (2, 3) is -106.191466568561 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -106.191466568561 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.191466570845 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (5, 6) is -106.191466575664 +Energy at sites (4, 5) is -106.19146656857 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -106.191466575467 Stats: nIt(DAVIDSON) = 4 -Energy at sites (6, 7) is -106.191466575664 +Energy at sites (6, 7) is -106.191466575467 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575664 +Energy at sites (7, 8) is -106.191466575467 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.778935 seconds -*** |--> S.join = 0.025316 seconds -*** |--> S.solve = 0.516024 seconds -*** |--> S.split = 0.080762 seconds -*** |--> Tensor update = 0.153914 seconds -*** |--> create = 0.017835 seconds -*** |--> destroy = 0.003675 seconds -*** |--> disk write = 0.013655 seconds -*** |--> disk read = 0.007619 seconds -*** |--> calc = 0.111065 seconds -*** Disk write bandwidth = 14.7034160735536 MB/s -*** Disk read bandwidth = 26.4940964047529 MB/s -*** Minimum energy = -106.191466575664 +*** Elapsed wall time = 5.069209 seconds +*** |--> S.join = 0.193919 seconds +*** |--> S.solve = 3.140643 seconds +*** |--> S.split = 0.598278 seconds +*** |--> Tensor update = 1.127825 seconds +*** |--> create = 0.016658 seconds +*** |--> destroy = 0.00287 seconds +*** |--> disk write = 0.192265 seconds +*** |--> disk read = 0.057573 seconds +*** |--> calc = 0.858298 seconds +*** Disk write bandwidth = 1.04426258801329 MB/s +*** Disk read bandwidth = 3.50613170249618 MB/s +*** Minimum energy = -106.191466575467 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.11475088715451e-07 +*** Energy difference with respect to previous leftright sweep = 1.21900711747003e-07 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575664 +Energy at sites (8, 9) is -106.191466575467 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575664 +Energy at sites (7, 8) is -106.191466575467 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575664 +Energy at sites (6, 7) is -106.191466575467 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -106.191466575665 +Energy at sites (5, 6) is -106.191466575467 Stats: nIt(DAVIDSON) = 15 -Energy at sites (4, 5) is -106.19146657577 +Energy at sites (4, 5) is -106.191466575835 Stats: nIt(DAVIDSON) = 15 -Energy at sites (3, 4) is -106.191466575933 +Energy at sites (3, 4) is -106.191466575918 Stats: nIt(DAVIDSON) = 5 -Energy at sites (2, 3) is -106.191466575934 +Energy at sites (2, 3) is -106.191466575918 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575933 +Energy at sites (1, 2) is -106.191466575918 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.660145 seconds -*** |--> S.join = 0.021808 seconds -*** |--> S.solve = 0.411141 seconds -*** |--> S.split = 0.077447 seconds -*** |--> Tensor update = 0.146649 seconds -*** |--> create = 0.017714 seconds -*** |--> destroy = 0.002263 seconds -*** |--> disk write = 0.016107 seconds -*** |--> disk read = 0.010949 seconds -*** |--> calc = 0.0995470000000001 seconds -*** Disk write bandwidth = 12.5323474581122 MB/s -*** Disk read bandwidth = 18.337304455601 MB/s -*** Minimum energy = -106.191466575934 +*** Elapsed wall time = 4.627916 seconds +*** |--> S.join = 0.181733 seconds +*** |--> S.solve = 2.896667 seconds +*** |--> S.split = 0.595829 seconds +*** |--> Tensor update = 0.952819 seconds +*** |--> create = 0.030489 seconds +*** |--> destroy = 0.023225 seconds +*** |--> disk write = 0.140398 seconds +*** |--> disk read = 0.035143 seconds +*** |--> calc = 0.723407 seconds +*** Disk write bandwidth = 1.43775923095637 MB/s +*** Disk read bandwidth = 5.7130907004062 MB/s +*** Minimum energy = -106.191466575918 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575934 +Energy at sites (0, 1) is -106.191466575918 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575933 +Energy at sites (1, 2) is -106.191466575918 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575934 +Energy at sites (2, 3) is -106.191466575918 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575934 +Energy at sites (3, 4) is -106.191466575918 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191466575934 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -106.191466575949 +Energy at sites (4, 5) is -106.191466575918 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (5, 6) is -106.191466575948 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466575949 +Energy at sites (6, 7) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575949 +Energy at sites (7, 8) is -106.191466575948 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.669446 seconds -*** |--> S.join = 0.02876 seconds -*** |--> S.solve = 0.399131 seconds -*** |--> S.split = 0.078143 seconds -*** |--> Tensor update = 0.162392 seconds -*** |--> create = 0.01566 seconds -*** |--> destroy = 0.001938 seconds -*** |--> disk write = 0.012811 seconds -*** |--> disk read = 0.008373 seconds -*** |--> calc = 0.123548 seconds -*** Disk write bandwidth = 15.6720901166478 MB/s -*** Disk read bandwidth = 24.1082671094963 MB/s -*** Minimum energy = -106.191466575949 +*** Elapsed wall time = 3.60806 seconds +*** |--> S.join = 0.180203 seconds +*** |--> S.solve = 2.15781 seconds +*** |--> S.split = 0.453907 seconds +*** |--> Tensor update = 0.815361 seconds +*** |--> create = 0.0499 seconds +*** |--> destroy = 0.014709 seconds +*** |--> disk write = 0.021904 seconds +*** |--> disk read = 0.042727 seconds +*** |--> calc = 0.686021 seconds +*** Disk write bandwidth = 9.16614072700762 MB/s +*** Disk read bandwidth = 4.724378507918 MB/s +*** Minimum energy = -106.191466575948 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.84586576526635e-10 +*** Energy difference with respect to previous leftright sweep = 4.80724793305853e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575949 +Energy at sites (8, 9) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575949 +Energy at sites (7, 8) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575949 +Energy at sites (6, 7) is -106.191466575948 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.191466575949 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -106.19146657595 +Energy at sites (5, 6) is -106.191466575948 Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -106.19146657595 + Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.19146657595 @@ -2766,18 +2802,18 @@ Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 0.658211 seconds -*** |--> S.join = 0.025343 seconds -*** |--> S.solve = 0.396393 seconds -*** |--> S.split = 0.08573 seconds -*** |--> Tensor update = 0.149317 seconds -*** |--> create = 0.016537 seconds -*** |--> destroy = 0.002101 seconds -*** |--> disk write = 0.013804 seconds -*** |--> disk read = 0.008834 seconds -*** |--> calc = 0.107968 seconds -*** Disk write bandwidth = 14.6231904163875 MB/s -*** Disk read bandwidth = 22.7275465796214 MB/s +*** Elapsed wall time = 3.24296 seconds +*** |--> S.join = 0.129871 seconds +*** |--> S.solve = 1.988677 seconds +*** |--> S.split = 0.387484 seconds +*** |--> Tensor update = 0.736177 seconds +*** |--> create = 0.037364 seconds +*** |--> destroy = 0.002688 seconds +*** |--> disk write = 0.047297 seconds +*** |--> disk read = 0.026106 seconds +*** |--> calc = 0.622617 seconds +*** Disk write bandwidth = 4.26789268891922 MB/s +*** Disk read bandwidth = 7.69076635579465 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** @@ -2789,7 +2825,7 @@ Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 @@ -2799,21 +2835,21 @@ Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 0.639571 seconds -*** |--> S.join = 0.035786 seconds -*** |--> S.solve = 0.353609 seconds -*** |--> S.split = 0.089514 seconds -*** |--> Tensor update = 0.160342 seconds -*** |--> create = 0.020698 seconds -*** |--> destroy = 0.00178 seconds -*** |--> disk write = 0.011528 seconds -*** |--> disk read = 0.007031 seconds -*** |--> calc = 0.11925 seconds -*** Disk write bandwidth = 17.4163034771318 MB/s -*** Disk read bandwidth = 28.7097881535788 MB/s +*** Elapsed wall time = 2.6676 seconds +*** |--> S.join = 0.12815 seconds +*** |--> S.solve = 1.505395 seconds +*** |--> S.split = 0.348491 seconds +*** |--> Tensor update = 0.684614 seconds +*** |--> create = 0.037884 seconds +*** |--> destroy = 0.00352 seconds +*** |--> disk write = 0.042566 seconds +*** |--> disk read = 0.044644 seconds +*** |--> calc = 0.555857 seconds +*** Disk write bandwidth = 4.71679618673061 MB/s +*** Disk read bandwidth = 4.52151510858822 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.10844666778576e-12 +*** Energy difference with respect to previous leftright sweep = 2.33058017329313e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2828,51 +2864,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.9999939965971 , 1.99366325649633 , 1.87190049165223 ]. - NOON of irrep B2g = [ 0.584814290228286 ]. - NOON of irrep B3g = [ 0.584814274571545 ]. - NOON of irrep B1u = [ 1.99999783389178 , 1.12096429161999 , 1.00219410742354 ]. - NOON of irrep B2u = [ 1.42082874198506 ]. - NOON of irrep B3u = [ 1.42082871553414 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128193711881e-05 , 0.0722109534396487 , 0.460791909126024 , 1.13075779150705 , 1.13075779806673 , 6.17502955134291e-05 , 0.977139014585495 , 0.735936481631523 , 1.12042722640346 , 1.12042723921986 ]. - Idistance(0) = 5.65234392894281 - Idistance(1) = 19.8382957234617 - Idistance(2) = 88.8195409116109 + NOON of irrep Ag = [ 1.99999399659725 , 1.99366325671099 , 1.8719004925133 ]. + NOON of irrep B2g = [ 0.584814266314677 ]. + NOON of irrep B3g = [ 0.584814297562027 ]. + NOON of irrep B1u = [ 1.99999783389177 , 1.1209642913357 , 1.00219410767584 ]. + NOON of irrep B2u = [ 1.4208287144546 ]. + NOON of irrep B3u = [ 1.42082874294385 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.1712817470574e-05 , 0.0722109527151816 , 0.460791906428443 , 1.13075778452227 , 1.13075780346943 , 6.17502956686397e-05 , 0.977139014225631 , 0.735936480324983 , 1.12042724017609 , 1.12042722573083 ]. + Idistance(0) = 5.65234392172021 + Idistance(1) = 19.8382955819658 + Idistance(2) = 88.8195398691129 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.614722 seconds -*** |--> MPS gauge change = 0.176553 seconds -*** |--> Diagram calc = 0.04113 seconds -*** |--> Tensor update = 0.396037 seconds -*** |--> create = 0.042652 seconds -*** |--> destroy = 0.00677100000000001 seconds -*** |--> disk write = 0.034685 seconds -*** |--> disk read = 0.024193 seconds -*** |--> calc = 0.2875 seconds -*** Disk write bandwidth = 12.1764564816608 MB/s -*** Disk read bandwidth = 17.4571319417355 MB/s +*** Elapsed wall time = 2.600488 seconds +*** |--> MPS gauge change = 0.896463 seconds +*** |--> Diagram calc = 0.155147 seconds +*** |--> Tensor update = 1.547718 seconds +*** |--> create = 0.0852540000000001 seconds +*** |--> destroy = 0.007191 seconds +*** |--> disk write = 0.109925 seconds +*** |--> disk read = 0.084095 seconds +*** |--> calc = 1.260794 seconds +*** Disk write bandwidth = 3.84207771722908 MB/s +*** Disk read bandwidth = 5.02218197355855 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory. -FCI::matvec : Wall time = 7.731954 seconds -FCI::matvec : Wall time = 8.053206 seconds -FCI::matvec : Wall time = 8.467339 seconds -FCI::matvec : Wall time = 8.027038 seconds -FCI::matvec : Wall time = 7.971436 seconds -FCI::matvec : Wall time = 7.301475 seconds -FCI::matvec : Wall time = 6.490425 seconds -FCI::matvec : Wall time = 7.695801 seconds -FCI::matvec : Wall time = 7.111 seconds -FCI::matvec : Wall time = 7.297763 seconds -FCI::matvec : Wall time = 6.3263 seconds -FCI::matvec : Wall time = 7.826405 seconds -FCI::matvec : Wall time = 8.148626 seconds -FCI::matvec : Wall time = 7.386427 seconds -FCI::matvec : Wall time = 7.581387 seconds -FCI::matvec : Wall time = 7.837971 seconds -FCI::matvec : Wall time = 6.301767 seconds -FCI::matvec : Wall time = 6.837273 seconds +FCI::matvec : Wall time = 35.43188 seconds +FCI::matvec : Wall time = 45.520579 seconds +FCI::matvec : Wall time = 41.174743 seconds +FCI::matvec : Wall time = 34.907753 seconds +FCI::matvec : Wall time = 35.227628 seconds +FCI::matvec : Wall time = 30.36382 seconds +FCI::matvec : Wall time = 31.107875 seconds +FCI::matvec : Wall time = 31.947514 seconds +FCI::matvec : Wall time = 22.399647 seconds +FCI::matvec : Wall time = 25.611622 seconds +FCI::matvec : Wall time = 21.355513 seconds +FCI::matvec : Wall time = 19.099428 seconds +FCI::matvec : Wall time = 19.915614 seconds +FCI::matvec : Wall time = 24.503739 seconds +FCI::matvec : Wall time = 22.64739 seconds +FCI::matvec : Wall time = 20.283553 seconds +FCI::matvec : Wall time = 21.295862 seconds +FCI::matvec : Wall time = 23.875566 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 @@ -2894,177 +2930,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 19 -Energy at sites (8, 9) is -104.780724593904 - Stats: nIt(DAVIDSON) = 27 -Energy at sites (7, 8) is -106.588162742291 - Stats: nIt(DAVIDSON) = 30 -Energy at sites (6, 7) is -106.778219510724 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (5, 6) is -107.325013702051 - Stats: nIt(DAVIDSON) = 27 -Energy at sites (4, 5) is -107.346080154848 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (3, 4) is -107.346200722366 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (2, 3) is -107.346202242314 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (8, 9) is -102.560794299581 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (7, 8) is -106.65228768532 + Stats: nIt(DAVIDSON) = 42 +Energy at sites (6, 7) is -106.77981051735 + Stats: nIt(DAVIDSON) = 53 +Energy at sites (5, 6) is -107.234314774233 + Stats: nIt(DAVIDSON) = 28 +Energy at sites (4, 5) is -107.345460157961 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (3, 4) is -107.345529519037 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -107.3455312044 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346202242314 +Energy at sites (1, 2) is -107.3455312044 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.910778 seconds -*** |--> S.join = 0.031951 seconds -*** |--> S.solve = 1.643548 seconds -*** |--> S.split = 0.069956 seconds -*** |--> Tensor update = 0.162378 seconds -*** |--> create = 0.027224 seconds -*** |--> destroy = 0.002253 seconds -*** |--> disk write = 0.014921 seconds -*** |--> disk read = 0.00944 seconds -*** |--> calc = 0.108477 seconds -*** Disk write bandwidth = 54.8747819243851 MB/s -*** Disk read bandwidth = 86.3519765562931 MB/s -*** Minimum energy = -107.346202242314 +*** Elapsed wall time = 6.128235 seconds +*** |--> S.join = 0.084799 seconds +*** |--> S.solve = 5.342637 seconds +*** |--> S.split = 0.266352 seconds +*** |--> Tensor update = 0.432457 seconds +*** |--> create = 0.026713 seconds +*** |--> destroy = 0.002239 seconds +*** |--> disk write = 0.018964 seconds +*** |--> disk read = 0.024913 seconds +*** |--> calc = 0.359565 seconds +*** Disk write bandwidth = 43.1758395430157 MB/s +*** Disk read bandwidth = 32.7203732465543 MB/s +*** Minimum energy = -107.3455312044 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346202242314 +Energy at sites (0, 1) is -107.3455312044 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346202242314 +Energy at sites (1, 2) is -107.3455312044 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346202242314 +Energy at sites (2, 3) is -107.3455312044 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346202244421 +Energy at sites (3, 4) is -107.345531206953 Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -107.346202291173 +Energy at sites (4, 5) is -107.345531243385 Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -107.346320866493 +Energy at sites (5, 6) is -107.346318586661 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346325823714 +Energy at sites (6, 7) is -107.346323501441 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325823714 +Energy at sites (7, 8) is -107.346323501441 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.721456 seconds -*** |--> S.join = 0.03687 seconds -*** |--> S.solve = 0.392473 seconds -*** |--> S.split = 0.0993210000000001 seconds -*** |--> Tensor update = 0.189993 seconds -*** |--> create = 0.022754 seconds -*** |--> destroy = 0.002867 seconds -*** |--> disk write = 0.017063 seconds -*** |--> disk read = 0.009944 seconds -*** |--> calc = 0.137303 seconds -*** Disk write bandwidth = 47.7737009137553 MB/s -*** Disk read bandwidth = 82.3397647922114 MB/s -*** Minimum energy = -107.346325823714 +*** Elapsed wall time = 1.818838 seconds +*** |--> S.join = 0.083551 seconds +*** |--> S.solve = 1.058567 seconds +*** |--> S.split = 0.253652 seconds +*** |--> Tensor update = 0.421975 seconds +*** |--> create = 0.017799 seconds +*** |--> destroy = 0.002253 seconds +*** |--> disk write = 0.023895 seconds +*** |--> disk read = 0.012287 seconds +*** |--> calc = 0.365684 seconds +*** Disk write bandwidth = 34.114361108659 MB/s +*** Disk read bandwidth = 66.6384488560063 MB/s +*** Minimum energy = -107.346323501441 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346325823714 +*** Energy difference with respect to previous leftright sweep = 107.346323501441 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346325823714 +Energy at sites (8, 9) is -107.346323501441 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325823714 +Energy at sites (7, 8) is -107.346323501441 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346325823714 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (5, 6) is -107.34632582858 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.346326097663 +Energy at sites (6, 7) is -107.346323501441 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346326110614 +Energy at sites (5, 6) is -107.346323505765 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.346326060478 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.34632609648 Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.346326110629 +Energy at sites (2, 3) is -107.346326096496 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326110629 +Energy at sites (1, 2) is -107.346326096496 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 4.227224 seconds -*** |--> S.join = 0.107735 seconds -*** |--> S.solve = 1.039911 seconds -*** |--> S.split = 0.303087 seconds -*** |--> Tensor update = 2.769542 seconds -*** |--> create = 0.042623 seconds -*** |--> destroy = 0.00288 seconds -*** |--> disk write = 0.020381 seconds -*** |--> disk read = 0.026995 seconds -*** |--> calc = 2.676552 seconds -*** Disk write bandwidth = 40.1740160489549 MB/s -*** Disk read bandwidth = 30.1968015814561 MB/s -*** Minimum energy = -107.346326110629 +*** Elapsed wall time = 1.558608 seconds +*** |--> S.join = 0.077253 seconds +*** |--> S.solve = 0.835674 seconds +*** |--> S.split = 0.235006 seconds +*** |--> Tensor update = 0.40966 seconds +*** |--> create = 0.023923 seconds +*** |--> destroy = 0.002475 seconds +*** |--> disk write = 0.019439 seconds +*** |--> disk read = 0.011817 seconds +*** |--> calc = 0.351958 seconds +*** Disk write bandwidth = 42.1208200572946 MB/s +*** Disk read bandwidth = 68.9822001092838 MB/s +*** Minimum energy = -107.346326096496 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326110629 +Energy at sites (0, 1) is -107.346326096496 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326110629 +Energy at sites (1, 2) is -107.346326096496 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326110629 +Energy at sites (2, 3) is -107.346326096496 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326110629 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (4, 5) is -107.346326110629 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.346326114905 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346326114905 +Energy at sites (3, 4) is -107.346326096496 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (4, 5) is -107.346326096505 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (5, 6) is -107.346326113763 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -107.346326114865 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114905 +Energy at sites (7, 8) is -107.346326114865 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.035064 seconds -*** |--> S.join = 0.07567 seconds -*** |--> S.solve = 0.473382 seconds -*** |--> S.split = 0.157592 seconds -*** |--> Tensor update = 0.323339 seconds -*** |--> create = 0.027694 seconds -*** |--> destroy = 0.004257 seconds -*** |--> disk write = 0.017678 seconds -*** |--> disk read = 0.012662 seconds -*** |--> calc = 0.260958 seconds -*** Disk write bandwidth = 46.1117014759252 MB/s -*** Disk read bandwidth = 64.6648729342718 MB/s -*** Minimum energy = -107.346326114905 +*** Elapsed wall time = 1.706833 seconds +*** |--> S.join = 0.085824 seconds +*** |--> S.solve = 0.828606 seconds +*** |--> S.split = 0.287479 seconds +*** |--> Tensor update = 0.503522 seconds +*** |--> create = 0.031519 seconds +*** |--> destroy = 0.002223 seconds +*** |--> disk write = 0.083746 seconds +*** |--> disk read = 0.01341 seconds +*** |--> calc = 0.372547 seconds +*** Disk write bandwidth = 9.73375037245249 MB/s +*** Disk read bandwidth = 61.0579135789523 MB/s +*** Minimum energy = -107.346326114865 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.91191554424586e-07 +*** Energy difference with respect to previous leftright sweep = 2.61342387375407e-06 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2128 -*** Minimum energy encountered during all instructions = -107.346326114905 -*** Minimum energy encountered during the last sweep = -107.346326114905 +*** Minimum energy encountered during all instructions = -107.346326114865 +*** Minimum energy encountered during the last sweep = -107.346326114865 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.346326114908 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.346326114927 +Energy at sites (8, 9) is -107.346326114868 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (7, 8) is -107.346326114876 Stats: nIt(DAVIDSON) = 13 -Energy at sites (6, 7) is -107.346326114933 +Energy at sites (6, 7) is -107.346326114881 Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -107.346326114936 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.346326115022 +Energy at sites (5, 6) is -107.346326114883 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -107.346326115021 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.346326115022 - Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -107.346326115023 + Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115023 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 2.152136 seconds -*** |--> S.join = 0.053834 seconds -*** |--> S.solve = 1.618817 seconds -*** |--> S.split = 0.170367 seconds -*** |--> Tensor update = 0.301508 seconds -*** |--> create = 0.031882 seconds -*** |--> destroy = 0.002389 seconds -*** |--> disk write = 0.017546 seconds -*** |--> disk read = 0.01411 seconds -*** |--> calc = 0.235498 seconds -*** Disk write bandwidth = 46.6651442547447 MB/s -*** Disk read bandwidth = 57.77198148061 MB/s +*** Elapsed wall time = 3.189717 seconds +*** |--> S.join = 0.084247 seconds +*** |--> S.solve = 2.293269 seconds +*** |--> S.split = 0.247706 seconds +*** |--> Tensor update = 0.563282 seconds +*** |--> create = 0.021444 seconds +*** |--> destroy = 0.002383 seconds +*** |--> disk write = 0.155087 seconds +*** |--> disk read = 0.016232 seconds +*** |--> calc = 0.368076 seconds +*** Disk write bandwidth = 5.27953097999026 MB/s +*** Disk read bandwidth = 50.2194836552123 MB/s *** Minimum energy = -107.346326115023 *** Maximum discarded weight = 0 ****************************************************************** @@ -3075,32 +3111,32 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.346326115022 +Energy at sites (3, 4) is -107.346326115023 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.346326115023 Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -107.346326115025 - Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -107.346326115024 + Stats: nIt(DAVIDSON) = 9 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115024 +Energy at sites (7, 8) is -107.346326115025 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.402426 seconds -*** |--> S.join = 0.045243 seconds -*** |--> S.solve = 0.755369 seconds -*** |--> S.split = 0.146021 seconds -*** |--> Tensor update = 0.450712 seconds -*** |--> create = 0.023088 seconds -*** |--> destroy = 0.002272 seconds -*** |--> disk write = 0.216436 seconds -*** |--> disk read = 0.010733 seconds -*** |--> calc = 0.198104 seconds -*** Disk write bandwidth = 3.76629885366301 MB/s -*** Disk read bandwidth = 76.2868369601929 MB/s +*** Elapsed wall time = 2.110649 seconds +*** |--> S.join = 0.076991 seconds +*** |--> S.solve = 1.357909 seconds +*** |--> S.split = 0.258241 seconds +*** |--> Tensor update = 0.416563 seconds +*** |--> create = 0.020437 seconds +*** |--> destroy = 0.002116 seconds +*** |--> disk write = 0.017948 seconds +*** |--> disk read = 0.011296 seconds +*** |--> calc = 0.364724 seconds +*** Disk write bandwidth = 45.4180219908294 MB/s +*** Disk read bandwidth = 72.4846513007923 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.19001697385102e-10 +*** Energy difference with respect to previous leftright sweep = 1.59786850417731e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115025 @@ -3108,7 +3144,7 @@ Energy at sites (7, 8) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 - Stats: nIt(DAVIDSON) = 6 + Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.346326115024 @@ -3117,21 +3153,21 @@ Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115024 +Energy at sites (1, 2) is -107.346326115025 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 2.086364 seconds -*** |--> S.join = 0.036326 seconds -*** |--> S.solve = 0.531614 seconds -*** |--> S.split = 0.126899 seconds -*** |--> Tensor update = 1.386418 seconds -*** |--> create = 0.018063 seconds -*** |--> destroy = 0.001975 seconds -*** |--> disk write = 0.016423 seconds -*** |--> disk read = 0.009945 seconds -*** |--> calc = 1.339944 seconds -*** Disk write bandwidth = 49.856093350408 MB/s -*** Disk read bandwidth = 81.9670848357372 MB/s +*** Elapsed wall time = 2.147137 seconds +*** |--> S.join = 0.110166 seconds +*** |--> S.solve = 1.279056 seconds +*** |--> S.split = 0.265917 seconds +*** |--> Tensor update = 0.486202 seconds +*** |--> create = 0.029052 seconds +*** |--> destroy = 0.00207 seconds +*** |--> disk write = 0.023161 seconds +*** |--> disk read = 0.016808 seconds +*** |--> calc = 0.415046 seconds +*** Disk write bandwidth = 35.3519546260416 MB/s +*** Disk read bandwidth = 48.4984923067234 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** @@ -3140,34 +3176,34 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115025 +Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326115025 - Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.346326115024 + Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 3 + Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.712277 seconds -*** |--> S.join = 0.043735 seconds -*** |--> S.solve = 0.356098 seconds -*** |--> S.split = 0.103895 seconds -*** |--> Tensor update = 0.207711 seconds -*** |--> create = 0.021663 seconds -*** |--> destroy = 0.001935 seconds -*** |--> disk write = 0.015357 seconds -*** |--> disk read = 0.007517 seconds -*** |--> calc = 0.161184 seconds -*** Disk write bandwidth = 53.0808529459794 MB/s -*** Disk read bandwidth = 108.924653597679 MB/s +*** Elapsed wall time = 2.21864 seconds +*** |--> S.join = 0.102317 seconds +*** |--> S.solve = 1.170383 seconds +*** |--> S.split = 0.365717 seconds +*** |--> Tensor update = 0.576941 seconds +*** |--> create = 0.048406 seconds +*** |--> destroy = 0.006462 seconds +*** |--> disk write = 0.022348 seconds +*** |--> disk read = 0.023099 seconds +*** |--> calc = 0.476533 seconds +*** Disk write bandwidth = 36.475866238205 MB/s +*** Disk read bandwidth = 35.4468427678146 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.98951966012828e-13 +*** Energy difference with respect to previous leftright sweep = 2.27373675443232e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3182,51 +3218,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 - NOON of irrep Ag = [ 1.99999018535373 , 1.99292175278877 , 1.03221285676834 ]. - NOON of irrep B2g = [ 1.02415310259346 ]. - NOON of irrep B3g = [ 0.0896934287804602 ]. - NOON of irrep B1u = [ 1.99999295584654 , 1.95039154289446 , 0.0159495095233102 ]. - NOON of irrep B2u = [ 1.91962159296545 ]. - NOON of irrep B3u = [ 1.97507307248548 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322991475708 , 0.0447141466143432 , 0.838966994399456 , 0.790658960224671 , 0.317368561178491 , 9.24989500839711e-05 , 0.227634117125772 , 0.0907424584575448 , 0.299652804879252 , 0.133979296991476 ]. - Idistance(0) = 1.57215407908712 - Idistance(1) = 5.15805448326681 - Idistance(2) = 21.9866409877836 + NOON of irrep Ag = [ 1.99999018535382 , 1.99292175285686 , 1.0322128566204 ]. + NOON of irrep B2g = [ 1.02415310261325 ]. + NOON of irrep B3g = [ 0.0896934287769243 ]. + NOON of irrep B1u = [ 1.99999295584655 , 1.95039154293312 , 0.0159495095352078 ]. + NOON of irrep B2u = [ 1.91962159297221 ]. + NOON of irrep B3u = [ 1.97507307249164 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322990039918 , 0.0447141462149302 , 0.838966994793746 , 0.790658960122697 , 0.317368561212846 , 9.2498950050008e-05 , 0.227634116986971 , 0.0907424585418445 , 0.299652804904547 , 0.133979296964553 ]. + Idistance(0) = 1.57215407918258 + Idistance(1) = 5.15805448296606 + Idistance(2) = 21.9866409822075 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.818591 seconds -*** |--> MPS gauge change = 0.256178 seconds -*** |--> Diagram calc = 0.05308 seconds -*** |--> Tensor update = 0.508506 seconds -*** |--> create = 0.05082 seconds -*** |--> destroy = 0.00672900000000001 seconds -*** |--> disk write = 0.041308 seconds -*** |--> disk read = 0.026728 seconds -*** |--> calc = 0.382685 seconds -*** Disk write bandwidth = 40.2068796284353 MB/s -*** Disk read bandwidth = 62.1395459327823 MB/s +*** Elapsed wall time = 2.314308 seconds +*** |--> MPS gauge change = 0.713442 seconds +*** |--> Diagram calc = 0.145911 seconds +*** |--> Tensor update = 1.445259 seconds +*** |--> create = 0.103647 seconds +*** |--> destroy = 0.030718 seconds +*** |--> disk write = 0.074797 seconds +*** |--> disk read = 0.054676 seconds +*** |--> calc = 1.181048 seconds +*** Disk write bandwidth = 22.2049785912725 MB/s +*** Disk read bandwidth = 30.3765049325372 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory. -FCI::matvec : Wall time = 11.615705 seconds -FCI::matvec : Wall time = 10.531395 seconds -FCI::matvec : Wall time = 9.371465 seconds -FCI::matvec : Wall time = 8.628575 seconds -FCI::matvec : Wall time = 8.287814 seconds -FCI::matvec : Wall time = 9.13385 seconds -FCI::matvec : Wall time = 9.786655 seconds -FCI::matvec : Wall time = 9.711206 seconds -FCI::matvec : Wall time = 9.204346 seconds -FCI::matvec : Wall time = 8.009159 seconds -FCI::matvec : Wall time = 8.180686 seconds -FCI::matvec : Wall time = 9.306859 seconds -FCI::matvec : Wall time = 16.167377 seconds -FCI::matvec : Wall time = 10.355833 seconds -FCI::matvec : Wall time = 7.543723 seconds -FCI::matvec : Wall time = 6.721987 seconds -FCI::matvec : Wall time = 7.342929 seconds -FCI::matvec : Wall time = 7.829526 seconds +FCI::matvec : Wall time = 34.751932 seconds +FCI::matvec : Wall time = 27.599894 seconds +FCI::matvec : Wall time = 26.123635 seconds +FCI::matvec : Wall time = 25.063773 seconds +FCI::matvec : Wall time = 26.987668 seconds +FCI::matvec : Wall time = 28.299539 seconds +FCI::matvec : Wall time = 29.57571 seconds +FCI::matvec : Wall time = 28.675837 seconds +FCI::matvec : Wall time = 30.451388 seconds +FCI::matvec : Wall time = 28.01537 seconds +FCI::matvec : Wall time = 27.331454 seconds +FCI::matvec : Wall time = 33.323392 seconds +FCI::matvec : Wall time = 31.511662 seconds +FCI::matvec : Wall time = 29.834995 seconds +FCI::matvec : Wall time = 28.82377 seconds +FCI::matvec : Wall time = 27.067758 seconds +FCI::matvec : Wall time = 27.271488 seconds +FCI::matvec : Wall time = 30.803323 seconds FCI::GSDavidson : Converged ground state energy = -107.346326115024 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -3248,177 +3284,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 18 -Energy at sites (8, 9) is -104.390163525271 - Stats: nIt(DAVIDSON) = 30 -Energy at sites (7, 8) is -106.366277463546 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (8, 9) is -98.6135194294781 + Stats: nIt(DAVIDSON) = 29 +Energy at sites (7, 8) is -106.247651157595 Stats: nIt(DAVIDSON) = 47 -Energy at sites (6, 7) is -106.951498597454 - Stats: nIt(DAVIDSON) = 63 -Energy at sites (5, 6) is -107.183808743679 - Stats: nIt(DAVIDSON) = 39 -Energy at sites (4, 5) is -107.190012371874 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (3, 4) is -107.199518330451 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (2, 3) is -107.199538910194 +Energy at sites (6, 7) is -106.950810572052 + Stats: nIt(DAVIDSON) = 58 +Energy at sites (5, 6) is -107.177494656016 + Stats: nIt(DAVIDSON) = 43 +Energy at sites (4, 5) is -107.188474518453 + Stats: nIt(DAVIDSON) = 26 +Energy at sites (3, 4) is -107.199436803356 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (2, 3) is -107.199459139449 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199538910194 +Energy at sites (1, 2) is -107.199459139449 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.92401 seconds -*** |--> S.join = 0.020408 seconds -*** |--> S.solve = 1.698939 seconds -*** |--> S.split = 0.068785 seconds -*** |--> Tensor update = 0.134736 seconds -*** |--> create = 0.021159 seconds -*** |--> destroy = 0.001853 seconds -*** |--> disk write = 0.012698 seconds -*** |--> disk read = 0.006685 seconds -*** |--> calc = 0.092285 seconds -*** Disk write bandwidth = 66.244990868087 MB/s -*** Disk read bandwidth = 125.288695832554 MB/s -*** Minimum energy = -107.199538910194 +*** Elapsed wall time = 9.375461 seconds +*** |--> S.join = 0.128788 seconds +*** |--> S.solve = 7.989276 seconds +*** |--> S.split = 0.299103 seconds +*** |--> Tensor update = 0.955653 seconds +*** |--> create = 0.024925 seconds +*** |--> destroy = 0.00248 seconds +*** |--> disk write = 0.451064 seconds +*** |--> disk read = 0.023455 seconds +*** |--> calc = 0.453648 seconds +*** Disk write bandwidth = 1.86487703306619 MB/s +*** Disk read bandwidth = 35.7090143526167 MB/s +*** Minimum energy = -107.199459139449 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199538910194 +Energy at sites (0, 1) is -107.199459139449 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199538910194 +Energy at sites (1, 2) is -107.199459139449 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199538910194 +Energy at sites (2, 3) is -107.199459139449 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199538917391 +Energy at sites (3, 4) is -107.199459143555 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.19955111141 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (5, 6) is -107.199614602534 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -107.199617291562 +Energy at sites (4, 5) is -107.199475218712 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (5, 6) is -107.199614965785 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (6, 7) is -107.19961704436 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617291562 +Energy at sites (7, 8) is -107.19961704436 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.683191 seconds -*** |--> S.join = 0.018242 seconds -*** |--> S.solve = 0.455568 seconds -*** |--> S.split = 0.073407 seconds -*** |--> Tensor update = 0.135494 seconds -*** |--> create = 0.018104 seconds -*** |--> destroy = 0.001793 seconds -*** |--> disk write = 0.01369 seconds -*** |--> disk read = 0.007693 seconds -*** |--> calc = 0.094158 seconds -*** Disk write bandwidth = 61.180053443435 MB/s -*** Disk read bandwidth = 109.343415318207 MB/s -*** Minimum energy = -107.199617291562 +*** Elapsed wall time = 2.993696 seconds +*** |--> S.join = 0.111237 seconds +*** |--> S.solve = 1.860157 seconds +*** |--> S.split = 0.341208 seconds +*** |--> Tensor update = 0.674539 seconds +*** |--> create = 0.029168 seconds +*** |--> destroy = 0.002409 seconds +*** |--> disk write = 0.107428 seconds +*** |--> disk read = 0.036864 seconds +*** |--> calc = 0.498554 seconds +*** Disk write bandwidth = 7.7964304617104 MB/s +*** Disk read bandwidth = 22.8184378809399 MB/s +*** Minimum energy = -107.19961704436 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617291562 +*** Energy difference with respect to previous leftright sweep = 107.19961704436 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617291562 +Energy at sites (8, 9) is -107.19961704436 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617291562 +Energy at sites (7, 8) is -107.19961704436 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617291562 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.199617299496 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.199617383611 +Energy at sites (6, 7) is -107.19961704436 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (5, 6) is -107.19961704794 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.199617363111 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199617419383 +Energy at sites (3, 4) is -107.199617419489 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.199617421478 +Energy at sites (2, 3) is -107.199617420287 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421478 +Energy at sites (1, 2) is -107.199617420286 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.527971 seconds -*** |--> S.join = 0.023041 seconds -*** |--> S.solve = 0.309313 seconds -*** |--> S.split = 0.064552 seconds -*** |--> Tensor update = 0.130371 seconds -*** |--> create = 0.020331 seconds -*** |--> destroy = 0.001739 seconds -*** |--> disk write = 0.012757 seconds -*** |--> disk read = 0.007753 seconds -*** |--> calc = 0.0877470000000001 seconds -*** Disk write bandwidth = 65.938613627261 MB/s -*** Disk read bandwidth = 108.029786100945 MB/s -*** Minimum energy = -107.199617421478 +*** Elapsed wall time = 2.476803 seconds +*** |--> S.join = 0.084605 seconds +*** |--> S.solve = 1.367133 seconds +*** |--> S.split = 0.367853 seconds +*** |--> Tensor update = 0.654162 seconds +*** |--> create = 0.0328 seconds +*** |--> destroy = 0.006759 seconds +*** |--> disk write = 0.141154 seconds +*** |--> disk read = 0.034624 seconds +*** |--> calc = 0.438723 seconds +*** Disk write bandwidth = 5.9592990212319 MB/s +*** Disk read bandwidth = 24.1900107336132 MB/s +*** Minimum energy = -107.199617420287 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617421478 +Energy at sites (0, 1) is -107.199617420286 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421478 +Energy at sites (1, 2) is -107.199617420287 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421478 +Energy at sites (2, 3) is -107.199617420286 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617421478 +Energy at sites (3, 4) is -107.199617420286 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617421535 +Energy at sites (4, 5) is -107.199617420338 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (5, 6) is -107.199617421831 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.199617421874 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617421874 +Energy at sites (6, 7) is -107.199617421881 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421874 +Energy at sites (7, 8) is -107.199617421881 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.391523 seconds -*** |--> S.join = 0.0181 seconds -*** |--> S.solve = 0.168441 seconds -*** |--> S.split = 0.069314 seconds -*** |--> Tensor update = 0.134964 seconds -*** |--> create = 0.019629 seconds -*** |--> destroy = 0.001694 seconds -*** |--> disk write = 0.012524 seconds -*** |--> disk read = 0.007132 seconds -*** |--> calc = 0.093945 seconds -*** Disk write bandwidth = 66.8759926254092 MB/s -*** Disk read bandwidth = 117.944320533226 MB/s -*** Minimum energy = -107.199617421874 +*** Elapsed wall time = 1.62665 seconds +*** |--> S.join = 0.0846290000000001 seconds +*** |--> S.solve = 0.767126 seconds +*** |--> S.split = 0.283956 seconds +*** |--> Tensor update = 0.484592 seconds +*** |--> create = 0.033315 seconds +*** |--> destroy = 0.002489 seconds +*** |--> disk write = 0.055174 seconds +*** |--> disk read = 0.027147 seconds +*** |--> calc = 0.366378 seconds +*** Disk write bandwidth = 15.1802467038936 MB/s +*** Disk read bandwidth = 30.9860719063973 MB/s +*** Minimum energy = -107.199617421881 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.3031166190558e-07 +*** Energy difference with respect to previous leftright sweep = 3.77521359951061e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2254 -*** Minimum energy encountered during all instructions = -107.199617421874 -*** Minimum energy encountered during the last sweep = -107.199617421874 +*** Minimum energy encountered during all instructions = -107.199617421881 +*** Minimum energy encountered during the last sweep = -107.199617421881 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.199617421885 +Energy at sites (8, 9) is -107.199617421891 Stats: nIt(DAVIDSON) = 11 -Energy at sites (7, 8) is -107.199617421892 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (6, 7) is -107.199617421906 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (5, 6) is -107.199617421915 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.199617421917 +Energy at sites (7, 8) is -107.199617421901 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (6, 7) is -107.199617421907 + Stats: nIt(DAVIDSON) = 23 +Energy at sites (5, 6) is -107.199617421909 Stats: nIt(DAVIDSON) = 14 +Energy at sites (4, 5) is -107.199617421917 + Stats: nIt(DAVIDSON) = 13 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.934278 seconds -*** |--> S.join = 0.017838 seconds -*** |--> S.solve = 0.717045 seconds -*** |--> S.split = 0.069721 seconds -*** |--> Tensor update = 0.128806 seconds -*** |--> create = 0.018633 seconds -*** |--> destroy = 0.001672 seconds -*** |--> disk write = 0.013873 seconds -*** |--> disk read = 0.00731 seconds -*** |--> calc = 0.087271 seconds -*** Disk write bandwidth = 60.6342459484588 MB/s -*** Disk read bandwidth = 114.576598035653 MB/s +*** Elapsed wall time = 4.695713 seconds +*** |--> S.join = 0.106306 seconds +*** |--> S.solve = 3.350583 seconds +*** |--> S.split = 0.278704 seconds +*** |--> Tensor update = 0.952312 seconds +*** |--> create = 0.030414 seconds +*** |--> destroy = 0.007409 seconds +*** |--> disk write = 0.447327 seconds +*** |--> disk read = 0.115088 seconds +*** |--> calc = 0.351956 seconds +*** Disk write bandwidth = 1.88045634187735 MB/s +*** Disk read bandwidth = 7.27751747915182 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3428,7 +3464,7 @@ Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 - Stats: nIt(DAVIDSON) = 5 + Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199617421919 @@ -3440,21 +3476,21 @@ Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.610245 seconds -*** |--> S.join = 0.022578 seconds -*** |--> S.solve = 0.39299 seconds -*** |--> S.split = 0.063706 seconds -*** |--> Tensor update = 0.130477 seconds -*** |--> create = 0.023412 seconds -*** |--> destroy = 0.001878 seconds -*** |--> disk write = 0.014015 seconds -*** |--> disk read = 0.00726 seconds -*** |--> calc = 0.083869 seconds -*** Disk write bandwidth = 59.7613222718962 MB/s -*** Disk read bandwidth = 115.864861438425 MB/s +*** Elapsed wall time = 4.014796 seconds +*** |--> S.join = 0.089367 seconds +*** |--> S.solve = 1.812412 seconds +*** |--> S.split = 0.28524 seconds +*** |--> Tensor update = 1.821111 seconds +*** |--> create = 0.020613 seconds +*** |--> destroy = 0.003118 seconds +*** |--> disk write = 1.161287 seconds +*** |--> disk read = 0.198625 seconds +*** |--> calc = 0.437331 seconds +*** Disk write bandwidth = 0.721229921320591 MB/s +*** Disk read bandwidth = 4.23501016509991 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.49631443188991e-11 +*** Energy difference with respect to previous leftright sweep = 3.74598130292725e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3469,54 +3505,54 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 - NOON of irrep Ag = [ 1.99998814651069 , 1.98924041566456 , 1.87687857990737 ]. - NOON of irrep B2g = [ 0.139387811522232 ]. - NOON of irrep B3g = [ 1.03112739693564 ]. - NOON of irrep B1u = [ 1.99999431244152 , 1.10839164073196 , 0.0211636956582522 ]. - NOON of irrep B2u = [ 1.96715797358965 ]. - NOON of irrep B3u = [ 1.86667002703813 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980007164278 , 0.0818410215007836 , 0.449623198297426 , 0.486645056196596 , 0.811029482057917 , 6.68868114987706e-05 , 0.962046613708124 , 0.112095070252395 , 0.167176150303233 , 0.47508246171237 ]. - Idistance(0) = 2.38445939459432 - Idistance(1) = 9.57998274921204 - Idistance(2) = 47.8783647310541 + NOON of irrep Ag = [ 1.99998814651135 , 1.98924041563224 , 1.87687858065587 ]. + NOON of irrep B2g = [ 0.139387810994996 ]. + NOON of irrep B3g = [ 1.03112739655139 ]. + NOON of irrep B1u = [ 1.99999431244148 , 1.10839163991349 , 0.0211636956626467 ]. + NOON of irrep B2u = [ 1.96715797413678 ]. + NOON of irrep B3u = [ 1.86667002749978 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149979997692517 , 0.0818410216964655 , 0.449623196181212 , 0.48664505489674 , 0.811029480048881 , 6.68868118806956e-05 , 0.962046612585731 , 0.112095070329949 , 0.167176148045209 , 0.475082460521693 ]. + Idistance(0) = 2.3844593880935 + Idistance(1) = 9.5799827204738 + Idistance(2) = 47.8783645919627 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.474975 seconds -*** |--> MPS gauge change = 0.14911 seconds -*** |--> Diagram calc = 0.025996 seconds -*** |--> Tensor update = 0.298548 seconds -*** |--> create = 0.043448 seconds -*** |--> destroy = 0.003357 seconds -*** |--> disk write = 0.029945 seconds -*** |--> disk read = 0.015098 seconds -*** |--> calc = 0.206544 seconds -*** Disk write bandwidth = 56.9594366201317 MB/s -*** Disk read bandwidth = 112.971938640207 MB/s +*** Elapsed wall time = 3.352813 seconds +*** |--> MPS gauge change = 0.762981 seconds +*** |--> Diagram calc = 0.137375 seconds +*** |--> Tensor update = 2.45063 seconds +*** |--> create = 0.079335 seconds +*** |--> destroy = 0.006008 seconds +*** |--> disk write = 0.702867 seconds +*** |--> disk read = 0.488035 seconds +*** |--> calc = 1.173825 seconds +*** Disk write bandwidth = 2.42670424075941 MB/s +*** Disk read bandwidth = 3.49493444033695 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory. -FCI::matvec : Wall time = 7.465901 seconds -FCI::matvec : Wall time = 7.54346 seconds -FCI::matvec : Wall time = 7.780751 seconds -FCI::matvec : Wall time = 7.736222 seconds -FCI::matvec : Wall time = 6.703764 seconds -FCI::matvec : Wall time = 7.375665 seconds -FCI::matvec : Wall time = 7.754449 seconds -FCI::matvec : Wall time = 7.934539 seconds -FCI::matvec : Wall time = 7.916054 seconds -FCI::matvec : Wall time = 6.771541 seconds -FCI::matvec : Wall time = 8.213333 seconds -FCI::matvec : Wall time = 7.216448 seconds -FCI::matvec : Wall time = 7.224578 seconds -FCI::matvec : Wall time = 6.780194 seconds -FCI::matvec : Wall time = 7.622849 seconds -FCI::matvec : Wall time = 7.969903 seconds -FCI::matvec : Wall time = 7.74258 seconds -FCI::matvec : Wall time = 8.05 seconds -FCI::matvec : Wall time = 6.878952 seconds -FCI::matvec : Wall time = 7.602296 seconds -FCI::matvec : Wall time = 7.353465 seconds +FCI::matvec : Wall time = 28.167912 seconds +FCI::matvec : Wall time = 25.627929 seconds +FCI::matvec : Wall time = 28.059398 seconds +FCI::matvec : Wall time = 27.271721 seconds +FCI::matvec : Wall time = 40.523697 seconds +FCI::matvec : Wall time = 44.695462 seconds +FCI::matvec : Wall time = 35.047668 seconds +FCI::matvec : Wall time = 28.507353 seconds +FCI::matvec : Wall time = 56.091501 seconds +FCI::matvec : Wall time = 63.155392 seconds +FCI::matvec : Wall time = 55.35963 seconds +FCI::matvec : Wall time = 56.087633 seconds +FCI::matvec : Wall time = 41.590918 seconds +FCI::matvec : Wall time = 50.567361 seconds +FCI::matvec : Wall time = 41.879445 seconds +FCI::matvec : Wall time = 34.187183 seconds +FCI::matvec : Wall time = 34.981369 seconds +FCI::matvec : Wall time = 38.123666 seconds +FCI::matvec : Wall time = 32.603397 seconds +FCI::matvec : Wall time = 28.907093 seconds +FCI::matvec : Wall time = 27.443438 seconds FCI::GSDavidson : Converged ground state energy = -107.199617421919 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -3533,7 +3569,7 @@ debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12' dh_auto_install - cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/chemps2-1.8.12/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/chemps2-1.8.12/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' Install the project... -- Install configuration: "release" @@ -3548,56 +3584,56 @@ -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.a -- Up-to-date: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/bin/chemps2 -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2 --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASPT2.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Options.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Special.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConjugateGradient.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFindices.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorX.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FCI.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Initialize.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorKM.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Irreps.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/MPIchemps2.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorT.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorL.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF1.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF0.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Correlations.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Lapack.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoDM.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorQ.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ThreeDM.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorOperator.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Problem.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Heff.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FourIndex.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConvergenceScheme.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorO.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRG.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorGYZ.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor3RDM.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Cumulant.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoIndex.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFindices.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoDM.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Excitation.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASPT2.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Special.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorGYZ.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/SyBookkeeper.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Correlations.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorX.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Lapack.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Heff.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Hamiltonian.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorL.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DIIS.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Wigner.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Molden.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/SyBookkeeper.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS0.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF0.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorKM.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Sobject.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorT.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorQ.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Hamiltonian.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Excitation.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FCI.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConvergenceScheme.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS1.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS0.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF1.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Initialize.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASSCF.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FourIndex.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Sobject.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Cumulant.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Irreps.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/MPIchemps2.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ThreeDM.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Options.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoIndex.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS1.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorOperator.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Molden.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConjugateGradient.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake @@ -3654,7 +3690,7 @@ dpkg-gensymbols: warning: some new symbols appeared in the symbols file: see diff output below dpkg-gensymbols: warning: debian/libchemps2-3t64/DEBIAN/symbols doesn't match completely debian/libchemps2-3t64.symbols --- debian/libchemps2-3t64.symbols (libchemps2-3t64_1.8.12-4_amd64) -+++ dpkg-gensymbolsyeBilN 2026-04-19 21:00:57.768396804 -1200 ++++ dpkg-gensymbolsw6r6Yu 2025-03-18 18:08:19.359907982 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3709,18 +3745,18 @@ dh_shlibdeps -a dh_installdeb dh_gencontrol -dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined +dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dh_md5sums dh_builddeb -dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-4_amd64.deb'. -dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-4_amd64.deb'. -dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-4_amd64.deb'. +dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-4_amd64.deb'. dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-4_amd64.deb'. +dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-4_amd64.deb'. -dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-4_amd64.deb'. +dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-4_amd64.deb'. dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-4_amd64.deb'. +dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-4_amd64.deb'. dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-4_amd64.buildinfo dpkg-genchanges --build=binary -O../chemps2_1.8.12-4_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -3728,12 +3764,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/2663524/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2663524/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/3247147 and its subdirectories -I: Current time: Sun Apr 19 21:01:42 -12 2026 -I: pbuilder-time-stamp: 1776675702 +I: removing directory /srv/workspace/pbuilder/2663524 and its subdirectories +I: Current time: Tue Mar 18 18:08:27 +14 2025 +I: pbuilder-time-stamp: 1742270907