Diff of the two buildlogs: -- --- b1/build.log 2024-06-01 07:13:49.079496855 +0000 +++ b2/build.log 2024-06-01 07:22:20.005782384 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Fri May 31 17:28:49 -12 2024 -I: pbuilder-time-stamp: 1717219729 +I: Current time: Sat Jul 5 03:36:51 +14 2025 +I: pbuilder-time-stamp: 1751636211 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -26,52 +26,84 @@ dpkg-source: info: unpacking chemps2_1.8.12-3.1.debian.tar.xz I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/2537173/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/3508684/tmp/hooks/D01_modify_environment starting +debug: Running on ionos15-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 Jul 4 13:36 /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/3508684/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/3508684/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=20 ' - 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]="21" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.21(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=42 ' + 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='111a186641444e62b92bdebdf3d10ecc' - 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='2537173' - PS1='# ' - PS2='> ' + INVOCATION_ID=9206292986d343a1910cfe9dc54ab0c1 + 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=3508684 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.RDfJEYcC/pbuilderrc_c0Gt --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.RDfJEYcC/b1 --logfile b1/build.log chemps2_1.8.12-3.1.dsc' - SUDO_GID='110' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://46.16.76.132:3128' + 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.RDfJEYcC/pbuilderrc_rxHm --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.RDfJEYcC/b2 --logfile b2/build.log chemps2_1.8.12-3.1.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://213.165.73.152:3128 I: uname -a - Linux ionos1-amd64 6.1.0-21-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.90-1 (2024-05-03) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.7.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.7.12-1~bpo12+1 (2024-05-06) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 May 27 07:42 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/2537173/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Jun 30 14:05 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/3508684/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -272,7 +304,7 @@ Get: 133 http://deb.debian.org/debian unstable/main amd64 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 134 http://deb.debian.org/debian unstable/main amd64 sphinx-common all 7.2.6-8 [702 kB] Get: 135 http://deb.debian.org/debian unstable/main amd64 python3-sphinx all 7.2.6-8 [552 kB] -Fetched 99.9 MB in 5s (21.0 MB/s) +Fetched 99.9 MB in 5s (20.8 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.11-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 ... 19719 files and directories currently installed.) @@ -719,8 +751,8 @@ Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Sat Jun 1 05:32:20 UTC 2024. -Universal Time is now: Sat Jun 1 05:32:20 UTC 2024. +Local time is now: Fri Jul 4 13:37:28 UTC 2025. +Universal Time is now: Fri Jul 4 13:37:28 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -855,7 +887,11 @@ 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_1.8.12-3.1_source.changes +I: user script /srv/workspace/pbuilder/3508684/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/3508684/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_1.8.12-3.1_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.12-3.1 dpkg-buildpackage: info: source distribution unstable @@ -923,8 +959,8 @@ -- 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 1.10.10) (found version "1.10.10") -- Found Sphinx: /usr/bin/sphinx-build --- Configuring done (14.1s) --- Generating done (0.3s) +-- Configuring done (2.1s) +-- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -938,7 +974,7 @@ 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 -j20 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j42 "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 @@ -950,96 +986,96 @@ 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' -[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.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 -[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o +[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o [ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o +[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o +[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o +[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.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 +[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o +[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o +[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o +[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o +[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o +[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.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 +[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.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/CASSCF.cpp.o +[ 16%] 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/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 -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 -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.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 -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 -[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.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 -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -[ 9%] 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/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/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/Davidson.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 -[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o +[ 17%] 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/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 +[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o +[ 19%] 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/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 -[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o +[ 20%] 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/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 -[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.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/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 -[ 15%] 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/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 -[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -[ 17%] 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/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 -[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o +[ 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/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 -[ 19%] 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/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/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 -[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o +[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o +[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o +[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.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/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 +[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.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/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 -[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o +[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o +[ 29%] 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/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 +[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o +[ 31%] 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/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 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 -[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o +[ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.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/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 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 -[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o +[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o +[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.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/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 +[ 35%] 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/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/Hamiltonian.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 -[ 31%] 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 -[ 32%] 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 -[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.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 +[ 36%] 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/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 -[ 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 +[ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o +[ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o +[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o +[ 41%] 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/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 -[ 36%] 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/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 -[ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o +[ 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/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 -[ 39%] 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/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 -[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.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/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 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 -[ 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/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 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/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 +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 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 [ 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/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 +[ 47%] 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/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 +[ 48%] 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 [ 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 @@ -1050,46 +1086,46 @@ 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 [ 54%] 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/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 -[ 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/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 +[ 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 -[ 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 +[ 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/TensorS1.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/TensorS1.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorS1.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorS1.cpp +[ 58%] 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 [ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o -[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.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/TensorT.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorT.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorT.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorT.cpp +[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.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/TensorX.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorX.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorX.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorX.cpp [ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.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/ThreeDM.cpp.o -MF CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ThreeDM.cpp -[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o +[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o +[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o +[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.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/Wigner.cpp.o -MF CMakeFiles/chemps2-base.dir/Wigner.cpp.o.d -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Wigner.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/TwoDM.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TwoDM.cpp -[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.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/TwoIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TwoIndex.cpp -[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.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/Wigner.cpp.o -MF CMakeFiles/chemps2-base.dir/Wigner.cpp.o.d -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Wigner.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' [ 65%] Built target chemps2-base make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/depend -make[4]: Entering 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/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/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-shared.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/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-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]: 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[4]: Entering 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[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 static library libchemps2.a [ 67%] 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 -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 +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 /usr/bin/c++ -fPIC -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 -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 "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" -Wl,-rpath,/usr/lib/x86_64-linux-gnu/hdf5/serial: -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 +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 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' @@ -1102,197 +1138,197 @@ make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/depend 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 -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' 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=" -make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.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/test1.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend +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/test5.dir/build.make tests/CMakeFiles/test5.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/test3.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend +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' 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/test7.dir/build.make tests/CMakeFiles/test7.dir/depend +make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.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 -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 -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.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/test6.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend -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 -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[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/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/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' -make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build +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' +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[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 -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build 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[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]: 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/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]: Leaving 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/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]: Leaving 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[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/test6.dir/build.make tests/CMakeFiles/test6.dir/build make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build -[ 68%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 69%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.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 -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/test8.dir/build.make tests/CMakeFiles/test8.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/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]: 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 -[ 70%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o -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/depend -[ 71%] 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/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/test11.dir/build.make tests/CMakeFiles/test11.dir/depend -[ 73%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o -[ 72%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.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 -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/test10.dir/DependInfo.cmake "--color=" -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 -[ 75%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o -make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend -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 -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 -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 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/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 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 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/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 -[ 78%] 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 make[4]: Leaving 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[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 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' 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 -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/test13.dir/build.make tests/CMakeFiles/test13.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 -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' -[ 79%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o -cd 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'/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' +[ 71%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o +[ 71%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o +[ 71%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o +[ 71%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o +[ 72%] 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 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/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 +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 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/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 +[ 79%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o +[ 80%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.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 +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 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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 [ 83%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.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 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--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 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 +[ 92%] 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/test6.dir/link.txt --verbose=1 [ 93%] Linking CXX executable test3 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong 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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 -/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 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 -[ 96%] 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 -[ 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/test6.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 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 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 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 -[ 98%] Linking CXX executable test5 -cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 +[ 94%] 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 +[ 95%] 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 /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 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 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 -[ 98%] Built target test13 -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 98%] Built target test14 -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' -[ 98%] Built target test11 -[ 98%] Built target test10 +/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 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 +/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 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 +[ 96%] 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++ 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-Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic 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 +/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 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 +[ 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 +/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 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' -[ 98%] Built target test3 +[ 98%] Built target test12 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[ 98%] Built target test2 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +[ 98%] Built target test5 [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 [100%] Built target test4 -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 "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 -[100%] Built target test7 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' -[100%] Built target test9 -[100%] Built target test6 +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' [100%] Built target test8 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' -[100%] Built target test12 +[100%] Built target test6 +[100%] Built target test9 +[100%] Built target test13 +[100%] Built target test3 +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +[100%] Built target test14 +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' -[100%] Built target test5 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' [100%] Built target test1 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' +[100%] Built target test10 +[100%] Built target test2 +[100%] Built target test11 +[100%] Built target test7 +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' [100%] Built target chemps2-bin make[3]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CMakeFiles 0 @@ -1354,15 +1390,15 @@ 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 556.68 sec +1/3 Test #3: test3 ............................ Passed 67.60 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 90.13 sec +2/3 Test #5: test5 ............................ Passed 12.86 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 606.06 sec +3/3 Test #8: test8 ............................ Passed 67.76 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 1252.91 sec +Total Test time (real) = 148.22 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-cpython-311:.. \ LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \ python3 test1.py @@ -1386,213 +1422,213 @@ 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) = 11 -Energy at sites (8, 9) is -101.857255274095 - Stats: nIt(DAVIDSON) = 23 -Energy at sites (7, 8) is -106.852612395566 - Stats: nIt(DAVIDSON) = 56 -Energy at sites (6, 7) is -106.871794333809 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -100.037674033372 + Stats: nIt(DAVIDSON) = 21 +Energy at sites (7, 8) is -106.852503386521 Stats: nIt(DAVIDSON) = 61 -Energy at sites (5, 6) is -106.906298999487 - Stats: nIt(DAVIDSON) = 40 -Energy at sites (4, 5) is -107.634681464843 - Stats: nIt(DAVIDSON) = 25 -Energy at sites (3, 4) is -107.647971457173 +Energy at sites (6, 7) is -106.880661013866 + Stats: nIt(DAVIDSON) = 61 +Energy at sites (5, 6) is -106.90609705386 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (4, 5) is -107.633570924123 + Stats: nIt(DAVIDSON) = 28 +Energy at sites (3, 4) is -107.648034048811 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647971457173 +Energy at sites (2, 3) is -107.648034048811 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647971457173 +Energy at sites (1, 2) is -107.648034048811 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 25.128336 seconds -*** |--> S.join = 0.351754 seconds -*** |--> S.solve = 22.322995 seconds -*** |--> S.split = 0.86101 seconds -*** |--> Tensor update = 1.582781 seconds -*** |--> create = 0.053533 seconds -*** |--> destroy = 0.034581 seconds -*** |--> disk write = 0.020312 seconds -*** |--> disk read = 0.073011 seconds -*** |--> calc = 1.40118 seconds -*** Disk write bandwidth = 28.8479907534262 MB/s -*** Disk read bandwidth = 8.05281438087026 MB/s -*** Minimum energy = -107.647971457173 +*** Elapsed wall time = 3.677827 seconds +*** |--> S.join = 0.049626 seconds +*** |--> S.solve = 3.034135 seconds +*** |--> S.split = 0.101767 seconds +*** |--> Tensor update = 0.491137 seconds +*** |--> create = 0.020524 seconds +*** |--> destroy = 0.001401 seconds +*** |--> disk write = 0.314019 seconds +*** |--> disk read = 0.008626 seconds +*** |--> calc = 0.14649 seconds +*** Disk write bandwidth = 1.86600297492698 MB/s +*** Disk read bandwidth = 68.1595213032366 MB/s +*** Minimum energy = -107.648034048811 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.647971457173 +Energy at sites (0, 1) is -107.648034048811 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647971457173 +Energy at sites (1, 2) is -107.648034048811 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647971457173 +Energy at sites (2, 3) is -107.648034048811 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.647971457173 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.647996451843 +Energy at sites (3, 4) is -107.648034048811 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -107.648053035491 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250426109 +Energy at sites (5, 6) is -107.648250604205 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250426109 +Energy at sites (6, 7) is -107.648250604205 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250426109 +Energy at sites (7, 8) is -107.648250604205 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 6.198741 seconds -*** |--> S.join = 0.420938 seconds -*** |--> S.solve = 3.498835 seconds -*** |--> S.split = 0.861756 seconds -*** |--> Tensor update = 1.414142 seconds -*** |--> create = 0.075643 seconds -*** |--> destroy = 0.002453 seconds -*** |--> disk write = 0.064264 seconds -*** |--> disk read = 0.077483 seconds -*** |--> calc = 1.194 seconds -*** Disk write bandwidth = 9.14888632456304 MB/s -*** Disk read bandwidth = 7.5624380597498 MB/s -*** Minimum energy = -107.648250426109 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250426109 +*** Elapsed wall time = 1.047687 seconds +*** |--> S.join = 0.033076 seconds +*** |--> S.solve = 0.272369 seconds +*** |--> S.split = 0.064915 seconds +*** |--> Tensor update = 0.67478 seconds +*** |--> create = 0.018106 seconds +*** |--> destroy = 0.001508 seconds +*** |--> disk write = 0.558032 seconds +*** |--> disk read = 0.009821 seconds +*** |--> calc = 0.087221 seconds +*** Disk write bandwidth = 1.05360271590468 MB/s +*** Disk read bandwidth = 59.6640248634145 MB/s +*** Minimum energy = -107.648250604205 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.648250604205 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250426109 +Energy at sites (8, 9) is -107.648250604205 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250426109 +Energy at sites (7, 8) is -107.648250604205 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250426109 +Energy at sites (6, 7) is -107.648250604206 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250426109 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.648250850658 +Energy at sites (5, 6) is -107.648250604205 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.648250862996 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.648250972044 +Energy at sites (3, 4) is -107.648250972642 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972044 +Energy at sites (2, 3) is -107.648250972642 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972044 +Energy at sites (1, 2) is -107.648250972642 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 4.972414 seconds -*** |--> S.join = 0.260891 seconds -*** |--> S.solve = 2.417521 seconds -*** |--> S.split = 0.786751 seconds -*** |--> Tensor update = 1.505702 seconds -*** |--> create = 0.042346 seconds -*** |--> destroy = 0.002535 seconds -*** |--> disk write = 0.334529 seconds -*** |--> disk read = 0.089599 seconds -*** |--> calc = 1.036549 seconds -*** Disk write bandwidth = 1.7515981818724 MB/s -*** Disk read bandwidth = 6.56194857935601 MB/s -*** Minimum energy = -107.648250972044 +*** Elapsed wall time = 1.268703 seconds +*** |--> S.join = 0.033629 seconds +*** |--> S.solve = 0.204354 seconds +*** |--> S.split = 0.0719230000000001 seconds +*** |--> Tensor update = 0.957854 seconds +*** |--> create = 0.015852 seconds +*** |--> destroy = 0.001448 seconds +*** |--> disk write = 0.647523 seconds +*** |--> disk read = 0.20896 seconds +*** |--> calc = 0.083991 seconds +*** Disk write bandwidth = 0.90492598437985 MB/s +*** Disk read bandwidth = 2.81366783480914 MB/s +*** Minimum energy = -107.648250972642 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250972044 +Energy at sites (0, 1) is -107.648250972642 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972044 +Energy at sites (1, 2) is -107.648250972642 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972044 +Energy at sites (2, 3) is -107.648250972642 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250972044 +Energy at sites (3, 4) is -107.648250972642 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.64825097213 +Energy at sites (4, 5) is -107.648250972746 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.648250973996 +Energy at sites (5, 6) is -107.648250973998 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250973996 +Energy at sites (6, 7) is -107.648250973998 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250973996 +Energy at sites (7, 8) is -107.648250973998 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 4.998361 seconds -*** |--> S.join = 0.243409 seconds -*** |--> S.solve = 2.178263 seconds -*** |--> S.split = 0.806514 seconds -*** |--> Tensor update = 1.762763 seconds -*** |--> create = 0.032149 seconds -*** |--> destroy = 0.003172 seconds -*** |--> disk write = 0.41322 seconds -*** |--> disk read = 0.150333 seconds -*** |--> calc = 1.163633 seconds -*** Disk write bandwidth = 1.42283536799216 MB/s -*** Disk read bandwidth = 3.89774958381456 MB/s -*** Minimum energy = -107.648250973996 +*** Elapsed wall time = 1.21646 seconds +*** |--> S.join = 0.029001 seconds +*** |--> S.solve = 0.158948 seconds +*** |--> S.split = 0.060852 seconds +*** |--> Tensor update = 0.96695 seconds +*** |--> create = 0.017203 seconds +*** |--> destroy = 0.001657 seconds +*** |--> disk write = 0.674781 seconds +*** |--> disk read = 0.182142 seconds +*** |--> calc = 0.091089 seconds +*** Disk write bandwidth = 0.871310885697313 MB/s +*** Disk read bandwidth = 3.21705256439258 MB/s +*** Minimum energy = -107.648250973998 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.47887111679302e-07 +*** Energy difference with respect to previous leftright sweep = 3.69792843457617e-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 = -107.648250973996 -*** Minimum energy encountered during the last sweep = -107.648250973996 +*** Minimum energy encountered during all instructions = -107.648250973998 +*** Minimum energy encountered during the last sweep = -107.648250973998 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 -Energy at sites (8, 9) is -107.648250973998 +Energy at sites (8, 9) is -107.648250973999 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.648250973999 +Energy at sites (7, 8) is -107.648250974 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.648250974001 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974001 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.648250974004 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.648250974013 +Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974013 +Energy at sites (1, 2) is -107.648250974014 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 10.211306 seconds -*** |--> S.join = 0.248346 seconds -*** |--> S.solve = 6.160647 seconds -*** |--> S.split = 0.831185 seconds -*** |--> Tensor update = 2.957836 seconds -*** |--> create = 0.059094 seconds -*** |--> destroy = 0.018915 seconds -*** |--> disk write = 1.53422 seconds -*** |--> disk read = 0.115382 seconds -*** |--> calc = 1.227626 seconds -*** Disk write bandwidth = 0.381927225680537 MB/s -*** Disk read bandwidth = 5.09563043422474 MB/s -*** Minimum energy = -107.648250974013 +*** Elapsed wall time = 0.844183 seconds +*** |--> S.join = 0.020452 seconds +*** |--> S.solve = 0.472209 seconds +*** |--> S.split = 0.058875 seconds +*** |--> Tensor update = 0.290433 seconds +*** |--> create = 0.015512 seconds +*** |--> destroy = 0.001317 seconds +*** |--> disk write = 0.174038 seconds +*** |--> disk read = 0.006605 seconds +*** |--> calc = 0.092911 seconds +*** Disk write bandwidth = 3.36685314806878 MB/s +*** Disk read bandwidth = 89.0149933023041 MB/s +*** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250974014 +Energy at sites (0, 1) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974013 +Energy at sites (1, 2) is -107.648250974014 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 -107.648250974013 +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 -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250974014 +Energy at sites (7, 8) is -107.648250974013 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 6.945553 seconds -*** |--> S.join = 0.328725 seconds -*** |--> S.solve = 3.690347 seconds -*** |--> S.split = 1.050012 seconds -*** |--> Tensor update = 1.866218 seconds -*** |--> create = 0.142856 seconds -*** |--> destroy = 0.002296 seconds -*** |--> disk write = 0.297525 seconds -*** |--> disk read = 0.114991 seconds -*** |--> calc = 1.308398 seconds -*** Disk write bandwidth = 1.97611639614056 MB/s -*** Disk read bandwidth = 5.09570651775873 MB/s +*** Elapsed wall time = 0.441907 seconds +*** |--> S.join = 0.023897 seconds +*** |--> S.solve = 0.226489 seconds +*** |--> S.split = 0.068113 seconds +*** |--> Tensor update = 0.122862 seconds +*** |--> create = 0.015838 seconds +*** |--> destroy = 0.001319 seconds +*** |--> disk write = 0.011539 seconds +*** |--> disk read = 0.005829 seconds +*** |--> calc = 0.088297 seconds +*** Disk write bandwidth = 50.9527715366772 MB/s +*** Disk read bandwidth = 100.525027995127 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.77067249751417e-11 +*** Energy difference with respect to previous leftright sweep = 1.51771928358357e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1606,54 +1642,54 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014 - NOON of irrep Ag = [ 1.9999953044428 , 1.99487994123515 , 1.98267954066861 ]. - NOON of irrep B2g = [ 0.0748715522093624 ]. - NOON of irrep B3g = [ 0.0748715523169458 ]. - NOON of irrep B1u = [ 1.9999968183922 , 1.98658242715505 , 0.018807971235673 ]. - NOON of irrep B2u = [ 1.93365744616536 ]. - NOON of irrep B3u = [ 1.93365744617884 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009426794737 , 0.0515866773887764 , 0.0764971089904845 , 0.257716818790907 , 0.257716818945146 , 8.47155300376327e-05 , 0.0462800403409499 , 0.100736303577349 , 0.241506019616559 , 0.241506019633238 ]. - Idistance(0) = 1.30939331190262 - Idistance(1) = 5.42402999513251 - Idistance(2) = 26.7355487981909 + Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 + NOON of irrep Ag = [ 1.99999530444266 , 1.9948799412107 , 1.98267954076066 ]. + NOON of irrep B2g = [ 0.0748715523270454 ]. + NOON of irrep B3g = [ 0.074871552373101 ]. + NOON of irrep B1u = [ 1.99999681839218 , 1.98658242707941 , 0.0188079711836138 ]. + NOON of irrep B2u = [ 1.93365744608642 ]. + NOON of irrep B3u = [ 1.9336574461442 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009429627315 , 0.0515866787350525 , 0.0764971079315885 , 0.257716818998246 , 0.257716819063742 , 8.47155301999117e-05 , 0.0462800405243393 , 0.100736303256778 , 0.241506019784837 , 0.241506019690879 ]. + Idistance(0) = 1.30939331297756 + Idistance(1) = 5.42402999897936 + Idistance(2) = 26.7355488263648 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 8.161357 seconds -*** |--> MPS gauge change = 2.785202 seconds -*** |--> Diagram calc = 0.433633 seconds -*** |--> Tensor update = 4.93213 seconds -*** |--> create = 0.131646 seconds -*** |--> destroy = 0.01516 seconds -*** |--> disk write = 0.988492 seconds -*** |--> disk read = 0.137094 seconds -*** |--> calc = 3.659001 seconds -*** Disk write bandwidth = 1.20448931479244 MB/s -*** Disk read bandwidth = 8.68475682201856 MB/s +*** Elapsed wall time = 0.467282 seconds +*** |--> MPS gauge change = 0.131785 seconds +*** |--> Diagram calc = 0.032953 seconds +*** |--> Tensor update = 0.301732 seconds +*** |--> create = 0.039816 seconds +*** |--> destroy = 0.003138 seconds +*** |--> disk write = 0.027021 seconds +*** |--> disk read = 0.013897 seconds +*** |--> calc = 0.2177 seconds +*** Disk write bandwidth = 44.0630639783062 MB/s +*** Disk read bandwidth = 85.6751854182782 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 = 96.98969 seconds -FCI::matvec : Wall time = 54.233758 seconds -FCI::matvec : Wall time = 36.191699 seconds -FCI::matvec : Wall time = 32.69575 seconds -FCI::matvec : Wall time = 34.303671 seconds -FCI::matvec : Wall time = 34.335486 seconds -FCI::matvec : Wall time = 43.46339 seconds -FCI::matvec : Wall time = 38.663137 seconds -FCI::matvec : Wall time = 42.147349 seconds -FCI::matvec : Wall time = 40.867595 seconds -FCI::matvec : Wall time = 63.767577 seconds -FCI::matvec : Wall time = 43.23527 seconds -FCI::matvec : Wall time = 38.619621 seconds -FCI::matvec : Wall time = 64.734119 seconds -FCI::matvec : Wall time = 49.815122 seconds -FCI::matvec : Wall time = 61.195514 seconds -FCI::matvec : Wall time = 50.347023 seconds -FCI::matvec : Wall time = 42.027239 seconds +FCI::matvec : Wall time = 6.81932 seconds +FCI::matvec : Wall time = 6.60931 seconds +FCI::matvec : Wall time = 6.728799 seconds +FCI::matvec : Wall time = 2.991007 seconds +FCI::matvec : Wall time = 0.031505 seconds +FCI::matvec : Wall time = 0.030462 seconds +FCI::matvec : Wall time = 0.030633 seconds +FCI::matvec : Wall time = 0.030287 seconds +FCI::matvec : Wall time = 0.033298 seconds +FCI::matvec : Wall time = 0.031921 seconds +FCI::matvec : Wall time = 0.030303 seconds +FCI::matvec : Wall time = 0.031718 seconds +FCI::matvec : Wall time = 0.030457 seconds +FCI::matvec : Wall time = 0.03105 seconds +FCI::matvec : Wall time = 1.857088 seconds +FCI::matvec : Wall time = 2.168313 seconds +FCI::matvec : Wall time = 1.66824 seconds +FCI::matvec : Wall time = 0.031196 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 -FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 4.6903078392749e-18 and intended S(S+1) = 0 +FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 5.44460298141332e-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 @@ -1673,158 +1709,158 @@ 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 -101.776762354986 - Stats: nIt(DAVIDSON) = 38 -Energy at sites (7, 8) is -106.337595487396 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -103.330100570341 Stats: nIt(DAVIDSON) = 41 -Energy at sites (6, 7) is -106.398744214424 +Energy at sites (7, 8) is -106.325406793959 + Stats: nIt(DAVIDSON) = 38 +Energy at sites (6, 7) is -106.373221247445 Stats: nIt(DAVIDSON) = 62 -Energy at sites (5, 6) is -107.3179457684 - Stats: nIt(DAVIDSON) = 43 -Energy at sites (4, 5) is -107.325597439491 - Stats: nIt(DAVIDSON) = 23 -Energy at sites (3, 4) is -107.328763400535 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (2, 3) is -107.328764905988 +Energy at sites (5, 6) is -107.317886155404 + Stats: nIt(DAVIDSON) = 45 +Energy at sites (4, 5) is -107.32560432639 + Stats: nIt(DAVIDSON) = 25 +Energy at sites (3, 4) is -107.328763073492 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -107.328764790081 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764905988 +Energy at sites (1, 2) is -107.328764790081 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 11.572408 seconds -*** |--> S.join = 0.152925 seconds -*** |--> S.solve = 10.245817 seconds -*** |--> S.split = 0.462113 seconds -*** |--> Tensor update = 0.709488 seconds -*** |--> create = 0.046518 seconds -*** |--> destroy = 0.014736 seconds -*** |--> disk write = 0.027409 seconds -*** |--> disk read = 0.026631 seconds -*** |--> calc = 0.594057 seconds -*** Disk write bandwidth = 30.8229320525706 MB/s -*** Disk read bandwidth = 31.5873148671309 MB/s -*** Minimum energy = -107.328764905988 +*** Elapsed wall time = 1.051866 seconds +*** |--> S.join = 0.008582 seconds +*** |--> S.solve = 0.612583 seconds +*** |--> S.split = 0.038113 seconds +*** |--> Tensor update = 0.392106 seconds +*** |--> create = 0.019511 seconds +*** |--> destroy = 0.001469 seconds +*** |--> disk write = 0.312912 seconds +*** |--> disk read = 0.006024 seconds +*** |--> calc = 0.052159 seconds +*** Disk write bandwidth = 2.6998828572535 MB/s +*** Disk read bandwidth = 139.641730117291 MB/s +*** Minimum energy = -107.328764790081 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328764905988 +Energy at sites (0, 1) is -107.328764790081 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764905988 +Energy at sites (1, 2) is -107.328764790081 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328764905988 +Energy at sites (2, 3) is -107.328764790081 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.32876490786 +Energy at sites (3, 4) is -107.328764792296 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328767202035 +Energy at sites (4, 5) is -107.328766979085 Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.328768891734 +Energy at sites (5, 6) is -107.328768892062 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891734 +Energy at sites (6, 7) is -107.328768892062 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891734 +Energy at sites (7, 8) is -107.328768892062 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 3.044329 seconds -*** |--> S.join = 0.161768 seconds -*** |--> S.solve = 1.638718 seconds -*** |--> S.split = 0.466548 seconds -*** |--> Tensor update = 0.769726 seconds -*** |--> create = 0.051307 seconds -*** |--> destroy = 0.018611 seconds -*** |--> disk write = 0.03188 seconds -*** |--> disk read = 0.026474 seconds -*** |--> calc = 0.641312 seconds -*** Disk write bandwidth = 26.3865050886626 MB/s -*** Disk read bandwidth = 31.9115262003817 MB/s -*** Minimum energy = -107.328768891734 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768891734 +*** Elapsed wall time = 0.440315 seconds +*** |--> S.join = 0.016103 seconds +*** |--> S.solve = 0.244161 seconds +*** |--> S.split = 0.062561 seconds +*** |--> Tensor update = 0.117308 seconds +*** |--> create = 0.019108 seconds +*** |--> destroy = 0.001525 seconds +*** |--> disk write = 0.010854 seconds +*** |--> disk read = 0.005501 seconds +*** |--> calc = 0.080297 seconds +*** Disk write bandwidth = 77.501546178972 MB/s +*** Disk read bandwidth = 153.576757794748 MB/s +*** Minimum energy = -107.328768892062 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.328768892062 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768891734 +Energy at sites (8, 9) is -107.328768892062 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891734 +Energy at sites (7, 8) is -107.328768892062 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891734 +Energy at sites (6, 7) is -107.328768892062 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768891734 +Energy at sites (5, 6) is -107.328768892062 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768892099 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (3, 4) is -107.32876889798 +Energy at sites (4, 5) is -107.328768892426 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.328768897997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.32876889798 +Energy at sites (2, 3) is -107.328768897997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.32876889798 +Energy at sites (1, 2) is -107.328768897997 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 2.196512 seconds -*** |--> S.join = 0.136321 seconds -*** |--> S.solve = 1.034908 seconds -*** |--> S.split = 0.365546 seconds -*** |--> Tensor update = 0.657146 seconds -*** |--> create = 0.046995 seconds -*** |--> destroy = 0.011197 seconds -*** |--> disk write = 0.037706 seconds -*** |--> disk read = 0.041172 seconds -*** |--> calc = 0.519921 seconds -*** Disk write bandwidth = 22.4056050662734 MB/s -*** Disk read bandwidth = 20.4314044065521 MB/s -*** Minimum energy = -107.32876889798 +*** Elapsed wall time = 0.371895 seconds +*** |--> S.join = 0.019934 seconds +*** |--> S.solve = 0.168368 seconds +*** |--> S.split = 0.059018 seconds +*** |--> Tensor update = 0.124394 seconds +*** |--> create = 0.019027 seconds +*** |--> destroy = 0.00128 seconds +*** |--> disk write = 0.009514 seconds +*** |--> disk read = 0.005491 seconds +*** |--> calc = 0.089057 seconds +*** Disk write bandwidth = 88.7981652962903 MB/s +*** Disk read bandwidth = 153.196463709081 MB/s +*** Minimum energy = -107.328768897997 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.32876889798 +Energy at sites (0, 1) is -107.328768897997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.32876889798 +Energy at sites (1, 2) is -107.328768897997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.32876889798 +Energy at sites (2, 3) is -107.328768897997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.32876889798 +Energy at sites (3, 4) is -107.328768897997 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.328768898013 +Energy at sites (4, 5) is -107.328768898022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768898013 +Energy at sites (5, 6) is -107.328768898022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898013 +Energy at sites (6, 7) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768898013 +Energy at sites (7, 8) is -107.328768898022 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 2.144462 seconds -*** |--> S.join = 0.107984 seconds -*** |--> S.solve = 0.922562 seconds -*** |--> S.split = 0.417419 seconds -*** |--> Tensor update = 0.690125 seconds -*** |--> create = 0.035847 seconds -*** |--> destroy = 0.002705 seconds -*** |--> disk write = 0.041491 seconds -*** |--> disk read = 0.017378 seconds -*** |--> calc = 0.592566 seconds -*** Disk write bandwidth = 20.2743193036216 MB/s -*** Disk read bandwidth = 48.6146705391245 MB/s -*** Minimum energy = -107.328768898013 +*** Elapsed wall time = 0.34942 seconds +*** |--> S.join = 0.019369 seconds +*** |--> S.solve = 0.150087 seconds +*** |--> S.split = 0.062797 seconds +*** |--> Tensor update = 0.116492 seconds +*** |--> create = 0.019632 seconds +*** |--> destroy = 0.001403 seconds +*** |--> disk write = 0.009751 seconds +*** |--> disk read = 0.006464 seconds +*** |--> calc = 0.079211 seconds +*** Disk write bandwidth = 86.2682578429456 MB/s +*** Disk read bandwidth = 130.697052077492 MB/s +*** Minimum energy = -107.328768898022 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.27886720394599e-09 +*** Energy difference with respect to previous leftright sweep = 5.95920823798224e-09 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2280 -*** Minimum energy encountered during all instructions = -107.328768898013 -*** Minimum energy encountered during the last sweep = -107.328768898013 +*** Minimum energy encountered during all instructions = -107.328768898022 +*** Minimum energy encountered during the last sweep = -107.328768898022 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.328768898013 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (8, 9) is -107.328768898022 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.328768898019 +Energy at sites (7, 8) is -107.328768898026 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.328768898028 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.328768898028 +Energy at sites (6, 7) is -107.328768898031 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.328768898029 - Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -107.328768898031 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -107.328768898031 + Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.328768898031 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.328768898033 @@ -1832,18 +1868,18 @@ Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 5.290052 seconds -*** |--> S.join = 0.112385 seconds -*** |--> S.solve = 3.896696 seconds -*** |--> S.split = 0.504094 seconds -*** |--> Tensor update = 0.774601 seconds -*** |--> create = 0.061887 seconds -*** |--> destroy = 0.002804 seconds -*** |--> disk write = 0.040093 seconds -*** |--> disk read = 0.023136 seconds -*** |--> calc = 0.646516 seconds -*** Disk write bandwidth = 21.0716520247651 MB/s -*** Disk read bandwidth = 36.3589981944399 MB/s +*** Elapsed wall time = 0.81016 seconds +*** |--> S.join = 0.018807 seconds +*** |--> S.solve = 0.611155 seconds +*** |--> S.split = 0.0599110000000001 seconds +*** |--> Tensor update = 0.120049 seconds +*** |--> create = 0.019549 seconds +*** |--> destroy = 0.001446 seconds +*** |--> disk write = 0.01179 seconds +*** |--> disk read = 0.005355 seconds +*** |--> calc = 0.08188 seconds +*** Disk write bandwidth = 71.656127619076 MB/s +*** Disk read bandwidth = 157.087167549311 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -1852,7 +1888,7 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768898032 +Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 8 @@ -1865,21 +1901,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 3.069134 seconds -*** |--> S.join = 0.161075 seconds -*** |--> S.solve = 1.692437 seconds -*** |--> S.split = 0.449757 seconds -*** |--> Tensor update = 0.764707 seconds -*** |--> create = 0.057441 seconds -*** |--> destroy = 0.002607 seconds -*** |--> disk write = 0.042988 seconds -*** |--> disk read = 0.018219 seconds -*** |--> calc = 0.643314 seconds -*** Disk write bandwidth = 19.5682930637983 MB/s -*** Disk read bandwidth = 46.3705881019214 MB/s +*** Elapsed wall time = 0.485358 seconds +*** |--> S.join = 0.019172 seconds +*** |--> S.solve = 0.283105 seconds +*** |--> S.split = 0.062071 seconds +*** |--> Tensor update = 0.120755 seconds +*** |--> create = 0.019928 seconds +*** |--> destroy = 0.001402 seconds +*** |--> disk write = 0.011576 seconds +*** |--> disk read = 0.006365 seconds +*** |--> calc = 0.081453 seconds +*** Disk write bandwidth = 72.6677420720942 MB/s +*** Disk read bandwidth = 132.729889179718 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.9838353182422e-11 +*** Energy difference with respect to previous leftright sweep = 1.11981535155792e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1893,51 +1929,51 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 - NOON of irrep Ag = [ 1.99999672241168 , 1.99571463010557 , 1.98497373608786 ]. - NOON of irrep B2g = [ 0.538989905189066 ]. - NOON of irrep B3g = [ 0.538989904891262 ]. - NOON of irrep B1u = [ 1.99999702947241 , 1.9914989056302 , 0.0194690668328236 ]. - NOON of irrep B2u = [ 1.46518504983992 ]. - NOON of irrep B3u = [ 1.46518504953919 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862735234716 , 0.0587089374456153 , 0.0554792808156024 , 1.1195763001125 , 1.11957629995411 , 8.52797484582139e-05 , 0.0421718621088542 , 0.105000352891133 , 1.11261995844318 , 1.11261995860583 ]. - Idistance(0) = 4.60188108182388 - Idistance(1) = 17.7825010805967 - Idistance(2) = 85.6947708297107 + Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 + NOON of irrep Ag = [ 1.99999672241043 , 1.99571463015618 , 1.98497373603614 ]. + NOON of irrep B2g = [ 0.538989905096236 ]. + NOON of irrep B3g = [ 0.538989904980236 ]. + NOON of irrep B1u = [ 1.99999702947248 , 1.99149890562561 , 0.0194690668413448 ]. + NOON of irrep B2u = [ 1.46518504974938 ]. + NOON of irrep B3u = [ 1.46518504963196 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862741679634 , 0.0587089373820828 , 0.0554792810292729 , 1.1195763000639 , 1.11957630000293 , 8.5279748192092e-05 , 0.042171862137022 , 0.105000352905701 , 1.11261995849454 , 1.11261995855759 ]. + Idistance(0) = 4.60188108190642 + Idistance(1) = 17.782501079647 + Idistance(2) = 85.6947708208673 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 3.157544 seconds -*** |--> MPS gauge change = 0.939664 seconds -*** |--> Diagram calc = 0.210864 seconds -*** |--> Tensor update = 2.005445 seconds -*** |--> create = 0.106829 seconds -*** |--> destroy = 0.015186 seconds -*** |--> disk write = 0.271148 seconds -*** |--> disk read = 0.079148 seconds -*** |--> calc = 1.532553 seconds -*** Disk write bandwidth = 6.31737660156711 MB/s -*** Disk read bandwidth = 21.6422907813428 MB/s +*** Elapsed wall time = 0.437757 seconds +*** |--> MPS gauge change = 0.131397 seconds +*** |--> Diagram calc = 0.025534 seconds +*** |--> Tensor update = 0.280108 seconds +*** |--> create = 0.044914 seconds +*** |--> destroy = 0.002909 seconds +*** |--> disk write = 0.024578 seconds +*** |--> disk read = 0.013812 seconds +*** |--> calc = 0.19376 seconds +*** Disk write bandwidth = 69.6941993149044 MB/s +*** Disk read bandwidth = 124.018536834761 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 = 37.107953 seconds -FCI::matvec : Wall time = 32.975582 seconds -FCI::matvec : Wall time = 40.1237 seconds -FCI::matvec : Wall time = 39.255417 seconds -FCI::matvec : Wall time = 37.059436 seconds -FCI::matvec : Wall time = 39.503592 seconds -FCI::matvec : Wall time = 35.795375 seconds -FCI::matvec : Wall time = 39.81224 seconds -FCI::matvec : Wall time = 37.375166 seconds -FCI::matvec : Wall time = 40.875378 seconds -FCI::matvec : Wall time = 36.619244 seconds -FCI::matvec : Wall time = 36.643218 seconds -FCI::matvec : Wall time = 39.754467 seconds -FCI::matvec : Wall time = 40.711405 seconds -FCI::matvec : Wall time = 37.683085 seconds -FCI::matvec : Wall time = 36.467508 seconds -FCI::matvec : Wall time = 38.359215 seconds +FCI::matvec : Wall time = 3.872567 seconds +FCI::matvec : Wall time = 0.028864 seconds +FCI::matvec : Wall time = 0.028779 seconds +FCI::matvec : Wall time = 0.029425 seconds +FCI::matvec : Wall time = 0.028673 seconds +FCI::matvec : Wall time = 0.028591 seconds +FCI::matvec : Wall time = 0.029475 seconds +FCI::matvec : Wall time = 0.028667 seconds +FCI::matvec : Wall time = 0.029055 seconds +FCI::matvec : Wall time = 0.028679 seconds +FCI::matvec : Wall time = 0.029557 seconds +FCI::matvec : Wall time = 3.216813 seconds +FCI::matvec : Wall time = 6.552519 seconds +FCI::matvec : Wall time = 6.561846 seconds +FCI::matvec : Wall time = 6.422245 seconds +FCI::matvec : Wall time = 6.605256 seconds +FCI::matvec : Wall time = 3.962001 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 @@ -1960,176 +1996,176 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 12 -Energy at sites (8, 9) is -97.1538173421113 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (7, 8) is -105.66926673658 - Stats: nIt(DAVIDSON) = 28 -Energy at sites (6, 7) is -106.994531670917 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -106.994726520467 +Energy at sites (8, 9) is -95.5989480952217 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (7, 8) is -106.988001197319 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (6, 7) is -106.994507517933 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -106.994977760258 + Stats: nIt(DAVIDSON) = 23 +Energy at sites (4, 5) is -106.996837587478 Stats: nIt(DAVIDSON) = 20 -Energy at sites (4, 5) is -106.996952756158 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (3, 4) is -106.999079677459 +Energy at sites (3, 4) is -106.999361975375 Stats: nIt(DAVIDSON) = 15 -Energy at sites (2, 3) is -107.007872965468 +Energy at sites (2, 3) is -107.0078748593 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007872965468 +Energy at sites (1, 2) is -107.0078748593 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 6.584732 seconds -*** |--> S.join = 0.145822 seconds -*** |--> S.solve = 5.35736 seconds -*** |--> S.split = 0.446171 seconds -*** |--> Tensor update = 0.630167 seconds -*** |--> create = 0.039278 seconds -*** |--> destroy = 0.002607 seconds -*** |--> disk write = 0.021873 seconds -*** |--> disk read = 0.017521 seconds -*** |--> calc = 0.548791 seconds -*** Disk write bandwidth = 8.92834141710814 MB/s -*** Disk read bandwidth = 11.0841982645379 MB/s -*** Minimum energy = -107.007872965468 +*** Elapsed wall time = 1.499972 seconds +*** |--> S.join = 0.018582 seconds +*** |--> S.solve = 0.762015 seconds +*** |--> S.split = 0.054249 seconds +*** |--> Tensor update = 0.664388 seconds +*** |--> create = 0.015749 seconds +*** |--> destroy = 0.001729 seconds +*** |--> disk write = 0.556969 seconds +*** |--> disk read = 0.018303 seconds +*** |--> calc = 0.071596 seconds +*** Disk write bandwidth = 0.350629230381594 MB/s +*** Disk read bandwidth = 10.6106232744888 MB/s +*** Minimum energy = -107.0078748593 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007872965468 +Energy at sites (0, 1) is -107.0078748593 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007872965468 +Energy at sites (1, 2) is -107.0078748593 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007872965468 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007873598553 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.00787546974 +Energy at sites (2, 3) is -107.0078748593 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -107.00787554129 Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -107.007920324767 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -107.007920328623 +Energy at sites (4, 5) is -107.007879252489 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.007920308378 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -107.007920308652 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920328623 +Energy at sites (7, 8) is -107.007920308652 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 3.380703 seconds -*** |--> S.join = 0.152526 seconds -*** |--> S.solve = 2.021595 seconds -*** |--> S.split = 0.430364 seconds -*** |--> Tensor update = 0.773641 seconds -*** |--> create = 0.046182 seconds -*** |--> destroy = 0.002765 seconds -*** |--> disk write = 0.024817 seconds -*** |--> disk read = 0.022924 seconds -*** |--> calc = 0.676809 seconds -*** Disk write bandwidth = 7.82553240895228 MB/s -*** Disk read bandwidth = 8.51900243484585 MB/s -*** Minimum energy = -107.007920328623 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920328623 +*** Elapsed wall time = 1.05853 seconds +*** |--> S.join = 0.015714 seconds +*** |--> S.solve = 0.295012 seconds +*** |--> S.split = 0.058253 seconds +*** |--> Tensor update = 0.689159 seconds +*** |--> create = 0.014426 seconds +*** |--> destroy = 0.001389 seconds +*** |--> disk write = 0.58748 seconds +*** |--> disk read = 0.005499 seconds +*** |--> calc = 0.080328 seconds +*** Disk write bandwidth = 0.330575062628462 MB/s +*** Disk read bandwidth = 35.5136591773788 MB/s +*** Minimum energy = -107.007920308652 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.007920308652 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920328623 +Energy at sites (8, 9) is -107.007920308652 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920328623 +Energy at sites (7, 8) is -107.007920308652 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920328623 +Energy at sites (6, 7) is -107.007920308652 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.007920328623 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920348802 +Energy at sites (5, 6) is -107.007920308652 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -107.007920336184 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.007920408192 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.007920596698 +Energy at sites (3, 4) is -107.007920391481 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -107.00792059652 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596698 +Energy at sites (1, 2) is -107.00792059652 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 2.675801 seconds -*** |--> S.join = 0.145558 seconds -*** |--> S.solve = 1.373407 seconds -*** |--> S.split = 0.397931 seconds -*** |--> Tensor update = 0.756295 seconds -*** |--> create = 0.014237 seconds -*** |--> destroy = 0.002061 seconds -*** |--> disk write = 0.015199 seconds -*** |--> disk read = 0.059703 seconds -*** |--> calc = 0.664963 seconds -*** Disk write bandwidth = 12.8488460962173 MB/s -*** Disk read bandwidth = 3.25287234800544 MB/s -*** Minimum energy = -107.007920596698 +*** Elapsed wall time = 0.483685 seconds +*** |--> S.join = 0.015577 seconds +*** |--> S.solve = 0.19991 seconds +*** |--> S.split = 0.060511 seconds +*** |--> Tensor update = 0.206941 seconds +*** |--> create = 0.015616 seconds +*** |--> destroy = 0.001453 seconds +*** |--> disk write = 0.10607 seconds +*** |--> disk read = 0.006094 seconds +*** |--> calc = 0.077681 seconds +*** Disk write bandwidth = 1.84113898195914 MB/s +*** Disk read bandwidth = 31.8684341635984 MB/s +*** Minimum energy = -107.00792059652 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596698 +Energy at sites (0, 1) is -107.00792059652 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596698 +Energy at sites (1, 2) is -107.00792059652 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596698 +Energy at sites (2, 3) is -107.00792059652 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.007920596816 +Energy at sites (3, 4) is -107.007920596633 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920596868 +Energy at sites (4, 5) is -107.007920596678 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.007920599366 +Energy at sites (5, 6) is -107.007920599389 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920599366 +Energy at sites (6, 7) is -107.007920599389 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920599366 +Energy at sites (7, 8) is -107.007920599389 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 2.473927 seconds -*** |--> S.join = 0.168225 seconds -*** |--> S.solve = 1.177868 seconds -*** |--> S.split = 0.438318 seconds -*** |--> Tensor update = 0.683648 seconds -*** |--> create = 0.048646 seconds -*** |--> destroy = 0.002251 seconds -*** |--> disk write = 0.016989 seconds -*** |--> disk read = 0.040863 seconds -*** |--> calc = 0.574797 seconds -*** Disk write bandwidth = 11.4312930598016 MB/s -*** Disk read bandwidth = 4.77913055371378 MB/s -*** Minimum energy = -107.007920599366 +*** Elapsed wall time = 0.365161 seconds +*** |--> S.join = 0.019983 seconds +*** |--> S.solve = 0.165889 seconds +*** |--> S.split = 0.062069 seconds +*** |--> Tensor update = 0.11686 seconds +*** |--> create = 0.01514 seconds +*** |--> destroy = 0.0013 seconds +*** |--> disk write = 0.009699 seconds +*** |--> disk read = 0.006022 seconds +*** |--> calc = 0.084668 seconds +*** Disk write bandwidth = 20.023325888542 MB/s +*** Disk read bandwidth = 32.4293609791442 MB/s +*** Minimum energy = -107.007920599389 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.70743015562402e-07 +*** Energy difference with respect to previous leftright sweep = 2.90736494434896e-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 = -107.007920599366 -*** Minimum energy encountered during the last sweep = -107.007920599366 +*** Minimum energy encountered during all instructions = -107.007920599389 +*** Minimum energy encountered during the last sweep = -107.007920599389 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** + Stats: nIt(DAVIDSON) = 7 +Energy at sites (8, 9) is -107.007920599391 Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.007920599392 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599396 +Energy at sites (7, 8) is -107.007920599394 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.0079205994 +Energy at sites (6, 7) is -107.007920599399 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.007920599401 +Energy at sites (5, 6) is -107.007920599399 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.007920599401 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599402 +Energy at sites (4, 5) is -107.007920599399 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (3, 4) is -107.0079205994 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 = 4.700285 seconds -*** |--> S.join = 0.126514 seconds -*** |--> S.solve = 3.397252 seconds -*** |--> S.split = 0.410552 seconds -*** |--> Tensor update = 0.764003 seconds -*** |--> create = 0.05519 seconds -*** |--> destroy = 0.003756 seconds -*** |--> disk write = 0.146341 seconds -*** |--> disk read = 0.015569 seconds -*** |--> calc = 0.543014 seconds -*** Disk write bandwidth = 1.33448323994237 MB/s -*** Disk read bandwidth = 12.4739056967672 MB/s +*** Elapsed wall time = 0.737499 seconds +*** |--> S.join = 0.015576 seconds +*** |--> S.solve = 0.547782 seconds +*** |--> S.split = 0.060247 seconds +*** |--> Tensor update = 0.113341 seconds +*** |--> create = 0.015417 seconds +*** |--> destroy = 0.001516 seconds +*** |--> disk write = 0.01091 seconds +*** |--> disk read = 0.005622 seconds +*** |--> calc = 0.079842 seconds +*** Disk write bandwidth = 17.9000560784974 MB/s +*** Disk read bandwidth = 34.5439768397312 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2141,31 +2177,31 @@ Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 - Stats: nIt(DAVIDSON) = 11 + 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 = 3.831263 seconds -*** |--> S.join = 0.125014 seconds -*** |--> S.solve = 2.218612 seconds -*** |--> S.split = 0.333674 seconds -*** |--> Tensor update = 1.151328 seconds -*** |--> create = 0.014643 seconds -*** |--> destroy = 0.002353 seconds -*** |--> disk write = 0.534874 seconds -*** |--> disk read = 0.0502 seconds -*** |--> calc = 0.549114 seconds -*** Disk write bandwidth = 0.363087825904734 MB/s -*** Disk read bandwidth = 3.89023131108379 MB/s +*** Elapsed wall time = 0.581008 seconds +*** |--> S.join = 0.019621 seconds +*** |--> S.solve = 0.375534 seconds +*** |--> S.split = 0.061568 seconds +*** |--> Tensor update = 0.123296 seconds +*** |--> create = 0.01667 seconds +*** |--> destroy = 0.001482 seconds +*** |--> disk write = 0.010775 seconds +*** |--> disk read = 0.005605 seconds +*** |--> calc = 0.088722 seconds +*** Disk write bandwidth = 18.0237807696491 MB/s +*** Disk read bandwidth = 34.8420360064953 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 7.27879978512647e-11 +*** Energy difference with respect to previous leftright sweep = 4.9880100050359e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2179,46 +2215,46 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 - NOON of irrep Ag = [ 1.99999761728855 , 1.99817458683697 , 1.99099529640387 ]. - NOON of irrep B2g = [ 0.999157310872971 ]. - NOON of irrep B3g = [ 0.999157311085467 ]. - NOON of irrep B1u = [ 1.99999763398135 , 1.99356772578733 , 0.0151843205083568 ]. - NOON of irrep B2u = [ 1.00188409848793 ]. - NOON of irrep B3u = [ 1.0018840987472 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624791833518e-05 , 0.0439795115516772 , 0.0191227059704741 , 0.710073264039894 , 0.71007326237039 , 0.000114194275906321 , 0.0501988279485742 , 0.0847680575896117 , 0.709393185592057 , 0.709393187184109 ]. - Idistance(0) = 1.96740724129034 - Idistance(1) = 7.24682977263927 - Idistance(2) = 34.6048710150293 + Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599438 + NOON of irrep Ag = [ 1.99999761728585 , 1.99817458713235 , 1.99099529631811 ]. + NOON of irrep B2g = [ 0.999157310941806 ]. + NOON of irrep B3g = [ 0.999157311009713 ]. + NOON of irrep B1u = [ 1.99999763398152 , 1.99356772577447 , 0.0151843203212134 ]. + NOON of irrep B2u = [ 1.00188409857561 ]. + NOON of irrep B3u = [ 1.00188409865933 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624934703868e-05 , 0.0439795128467533 , 0.0191227045991253 , 0.710073263489367 , 0.710073262950158 , 0.000114194275635516 , 0.0501988277332282 , 0.0847680568225799 , 0.709393186148113 , 0.709393186662041 ]. + Idistance(0) = 1.96740723996102 + Idistance(1) = 7.24682976572136 + Idistance(2) = 34.6048709887432 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 2.603801 seconds -*** |--> MPS gauge change = 0.809683 seconds -*** |--> Diagram calc = 0.230167 seconds -*** |--> Tensor update = 1.558149 seconds -*** |--> create = 0.0487210000000001 seconds -*** |--> destroy = 0.008211 seconds -*** |--> disk write = 0.205696 seconds -*** |--> disk read = 0.036295 seconds -*** |--> calc = 1.258841 seconds -*** Disk write bandwidth = 1.98935601899694 MB/s -*** Disk read bandwidth = 11.2743511691306 MB/s +*** Elapsed wall time = 0.427413 seconds +*** |--> MPS gauge change = 0.132482 seconds +*** |--> Diagram calc = 0.022752 seconds +*** |--> Tensor update = 0.270556 seconds +*** |--> create = 0.037161 seconds +*** |--> destroy = 0.002656 seconds +*** |--> disk write = 0.021534 seconds +*** |--> disk read = 0.012394 seconds +*** |--> calc = 0.196714 seconds +*** Disk write bandwidth = 19.0026272723876 MB/s +*** Disk read bandwidth = 33.016183288978 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 = 26.203995 seconds -FCI::matvec : Wall time = 28.179921 seconds -FCI::matvec : Wall time = 26.52358 seconds -FCI::matvec : Wall time = 29.746337 seconds -FCI::matvec : Wall time = 24.821426 seconds -FCI::matvec : Wall time = 27.247516 seconds -FCI::matvec : Wall time = 28.479685 seconds -FCI::matvec : Wall time = 30.811604 seconds -FCI::matvec : Wall time = 27.547809 seconds -FCI::matvec : Wall time = 27.892001 seconds -FCI::matvec : Wall time = 29.931178 seconds -FCI::matvec : Wall time = 32.104345 seconds +FCI::matvec : Wall time = 3.604154 seconds +FCI::matvec : Wall time = 4.869695 seconds +FCI::matvec : Wall time = 4.944167 seconds +FCI::matvec : Wall time = 4.967743 seconds +FCI::matvec : Wall time = 1.071787 seconds +FCI::matvec : Wall time = 0.296691 seconds +FCI::matvec : Wall time = 0.023147 seconds +FCI::matvec : Wall time = 0.022686 seconds +FCI::matvec : Wall time = 0.022326 seconds +FCI::matvec : Wall time = 0.022224 seconds +FCI::matvec : Wall time = 0.023417 seconds +FCI::matvec : Wall time = 0.027943 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 @@ -2240,280 +2276,280 @@ 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) = 15 -Energy at sites (8, 9) is -100.726099470758 - Stats: nIt(DAVIDSON) = 28 -Energy at sites (7, 8) is -105.79306049535 - Stats: nIt(DAVIDSON) = 63 -Energy at sites (6, 7) is -105.904711200826 - Stats: nIt(DAVIDSON) = 52 -Energy at sites (5, 6) is -105.913519071471 - Stats: nIt(DAVIDSON) = 36 -Energy at sites (4, 5) is -106.149656890172 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (3, 4) is -106.16585384011 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (8, 9) is -101.343502248623 + Stats: nIt(DAVIDSON) = 21 +Energy at sites (7, 8) is -105.792447599285 + Stats: nIt(DAVIDSON) = 60 +Energy at sites (6, 7) is -105.903737723578 + Stats: nIt(DAVIDSON) = 44 +Energy at sites (5, 6) is -105.904864670066 + Stats: nIt(DAVIDSON) = 45 +Energy at sites (4, 5) is -106.143767618035 + Stats: nIt(DAVIDSON) = 26 +Energy at sites (3, 4) is -106.178266836319 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.165853985145 +Energy at sites (2, 3) is -106.178267011032 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.165853985145 +Energy at sites (1, 2) is -106.178267011033 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 10.731767 seconds -*** |--> S.join = 0.15902 seconds -*** |--> S.solve = 9.118616 seconds -*** |--> S.split = 0.324331 seconds -*** |--> Tensor update = 1.121777 seconds -*** |--> create = 0.042096 seconds -*** |--> destroy = 0.002232 seconds -*** |--> disk write = 0.471109 seconds -*** |--> disk read = 0.11668 seconds -*** |--> calc = 0.489526 seconds -*** Disk write bandwidth = 0.428475194716748 MB/s -*** Disk read bandwidth = 1.7207331717893 MB/s -*** Minimum energy = -106.165853985145 +*** Elapsed wall time = 1.580397 seconds +*** |--> S.join = 0.016443 seconds +*** |--> S.solve = 1.328983 seconds +*** |--> S.split = 0.060284 seconds +*** |--> Tensor update = 0.174092 seconds +*** |--> create = 0.015716 seconds +*** |--> destroy = 0.001527 seconds +*** |--> disk write = 0.063373 seconds +*** |--> disk read = 0.006047 seconds +*** |--> calc = 0.087395 seconds +*** Disk write bandwidth = 3.18524482836243 MB/s +*** Disk read bandwidth = 33.2024386446792 MB/s +*** Minimum energy = -106.178267011033 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.165853985145 +Energy at sites (0, 1) is -106.178267011032 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.165853985145 +Energy at sites (1, 2) is -106.178267011033 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.165853985145 +Energy at sites (2, 3) is -106.178267011032 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.165853985161 +Energy at sites (3, 4) is -106.178267011057 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.16596557935 +Energy at sites (4, 5) is -106.178491796202 Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -106.191086123733 +Energy at sites (5, 6) is -106.191411178265 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191086124596 +Energy at sites (6, 7) is -106.191411178449 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191086124596 +Energy at sites (7, 8) is -106.191411178449 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 2.96016 seconds -*** |--> S.join = 0.170142 seconds -*** |--> S.solve = 1.684775 seconds -*** |--> S.split = 0.46013 seconds -*** |--> Tensor update = 0.644147 seconds -*** |--> create = 0.036198 seconds -*** |--> destroy = 0.002849 seconds -*** |--> disk write = 0.032611 seconds -*** |--> disk read = 0.019013 seconds -*** |--> calc = 0.553333 seconds -*** Disk write bandwidth = 6.15666942088176 MB/s -*** Disk read bandwidth = 10.6168684851319 MB/s -*** Minimum energy = -106.191086124596 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.191086124596 +*** Elapsed wall time = 0.462249 seconds +*** |--> S.join = 0.015666 seconds +*** |--> S.solve = 0.268296 seconds +*** |--> S.split = 0.060763 seconds +*** |--> Tensor update = 0.117097 seconds +*** |--> create = 0.016418 seconds +*** |--> destroy = 0.001417 seconds +*** |--> disk write = 0.012998 seconds +*** |--> disk read = 0.006112 seconds +*** |--> calc = 0.080121 seconds +*** Disk write bandwidth = 15.4466184400966 MB/s +*** Disk read bandwidth = 33.0265903972206 MB/s +*** Minimum energy = -106.191411178449 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191411178449 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191086124596 +Energy at sites (8, 9) is -106.191411178449 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191086124596 +Energy at sites (7, 8) is -106.191411178449 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191086124596 +Energy at sites (6, 7) is -106.191411178449 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.191086124596 +Energy at sites (5, 6) is -106.191411178449 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -106.19117324854 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (3, 4) is -106.191463107858 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -106.191463110428 +Energy at sites (4, 5) is -106.191446209753 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (3, 4) is -106.191465854832 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -106.191465862936 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191463110428 +Energy at sites (1, 2) is -106.191465862936 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 2.582657 seconds -*** |--> S.join = 0.15219 seconds -*** |--> S.solve = 1.476653 seconds -*** |--> S.split = 0.352821 seconds -*** |--> Tensor update = 0.598287 seconds -*** |--> create = 0.026385 seconds -*** |--> destroy = 0.002273 seconds -*** |--> disk write = 0.031693 seconds -*** |--> disk read = 0.02415 seconds -*** |--> calc = 0.513661 seconds -*** Disk write bandwidth = 6.36918311639203 MB/s -*** Disk read bandwidth = 8.31367066187888 MB/s -*** Minimum energy = -106.191463110428 +*** Elapsed wall time = 0.445702 seconds +*** |--> S.join = 0.015832 seconds +*** |--> S.solve = 0.249741 seconds +*** |--> S.split = 0.064422 seconds +*** |--> Tensor update = 0.115092 seconds +*** |--> create = 0.016393 seconds +*** |--> destroy = 0.001387 seconds +*** |--> disk write = 0.008379 seconds +*** |--> disk read = 0.007404 seconds +*** |--> calc = 0.0814990000000001 seconds +*** Disk write bandwidth = 24.0910037603309 MB/s +*** Disk read bandwidth = 27.1171186499696 MB/s +*** Minimum energy = -106.191465862936 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191463110428 +Energy at sites (0, 1) is -106.191465862936 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191463110428 +Energy at sites (1, 2) is -106.191465862936 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191463110428 +Energy at sites (2, 3) is -106.191465862936 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191463110428 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -106.19146337907 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -106.191466493732 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191466493753 +Energy at sites (3, 4) is -106.191465862936 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -106.191465875809 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (5, 6) is -106.191466532601 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (6, 7) is -106.1914665326 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466493753 +Energy at sites (7, 8) is -106.1914665326 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 2.604387 seconds -*** |--> S.join = 0.139684 seconds -*** |--> S.solve = 1.437251 seconds -*** |--> S.split = 0.382173 seconds -*** |--> Tensor update = 0.635613 seconds -*** |--> create = 0.051651 seconds -*** |--> destroy = 0.01049 seconds -*** |--> disk write = 0.018241 seconds -*** |--> disk read = 0.014031 seconds -*** |--> calc = 0.541083 seconds -*** Disk write bandwidth = 11.006805903425 MB/s -*** Disk read bandwidth = 14.3866096862528 MB/s -*** Minimum energy = -106.191466493753 +*** Elapsed wall time = 0.454844 seconds +*** |--> S.join = 0.01641 seconds +*** |--> S.solve = 0.206042 seconds +*** |--> S.split = 0.060335 seconds +*** |--> Tensor update = 0.171397 seconds +*** |--> create = 0.015513 seconds +*** |--> destroy = 0.001378 seconds +*** |--> disk write = 0.066118 seconds +*** |--> disk read = 0.0052 seconds +*** |--> calc = 0.083161 seconds +*** Disk write bandwidth = 3.03661856808093 MB/s +*** Disk read bandwidth = 38.8189462515024 MB/s +*** Minimum energy = -106.191466532601 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 0.000380369157483074 +*** Energy difference with respect to previous leftright sweep = 5.535415129998e-05 ****************************************************************** *** 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 = -106.191466493753 -*** Minimum energy encountered during the last sweep = -106.191466493753 +*** Minimum energy encountered during all instructions = -106.191466532601 +*** Minimum energy encountered during the last sweep = -106.191466532601 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -106.191466493754 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -106.191466493754 Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -106.191466493754 +Energy at sites (8, 9) is -106.191466532613 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (7, 8) is -106.191466532622 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (6, 7) is -106.191466532623 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.191466493757 +Energy at sites (5, 6) is -106.191466532627 Stats: nIt(DAVIDSON) = 17 -Energy at sites (4, 5) is -106.19146655583 +Energy at sites (4, 5) is -106.191466569691 Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -106.191466572267 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -106.191466572268 +Energy at sites (3, 4) is -106.191466572934 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (2, 3) is -106.191466572934 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466572268 +Energy at sites (1, 2) is -106.191466572934 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 4.731452 seconds -*** |--> S.join = 0.110483 seconds -*** |--> S.solve = 3.573783 seconds -*** |--> S.split = 0.374508 seconds -*** |--> Tensor update = 0.667449 seconds -*** |--> create = 0.036006 seconds -*** |--> destroy = 0.002538 seconds -*** |--> disk write = 0.021566 seconds -*** |--> disk read = 0.032217 seconds -*** |--> calc = 0.574985 seconds -*** Disk write bandwidth = 9.36003526420349 MB/s -*** Disk read bandwidth = 6.23196282969783 MB/s -*** Minimum energy = -106.191466572268 +*** Elapsed wall time = 0.813866 seconds +*** |--> S.join = 0.020594 seconds +*** |--> S.solve = 0.613263 seconds +*** |--> S.split = 0.064792 seconds +*** |--> Tensor update = 0.11461 seconds +*** |--> create = 0.0154 seconds +*** |--> destroy = 0.001547 seconds +*** |--> disk write = 0.00997 seconds +*** |--> disk read = 0.00746 seconds +*** |--> calc = 0.080199 seconds +*** Disk write bandwidth = 20.24659182626 MB/s +*** Disk read bandwidth = 26.9135585099698 MB/s +*** Minimum energy = -106.191466572934 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466572268 +Energy at sites (0, 1) is -106.191466572934 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466572268 +Energy at sites (1, 2) is -106.191466572934 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466572268 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -106.191466572268 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.191466572273 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -106.191466575742 +Energy at sites (2, 3) is -106.191466572934 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -106.191466572934 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.191466572935 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (5, 6) is -106.191466575734 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466575742 +Energy at sites (6, 7) is -106.191466575735 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575742 +Energy at sites (7, 8) is -106.191466575735 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 3.68205 seconds -*** |--> S.join = 0.150734 seconds -*** |--> S.solve = 2.493402 seconds -*** |--> S.split = 0.386607 seconds -*** |--> Tensor update = 0.64945 seconds -*** |--> create = 0.018818 seconds -*** |--> destroy = 0.002555 seconds -*** |--> disk write = 0.050861 seconds -*** |--> disk read = 0.02881 seconds -*** |--> calc = 0.548267 seconds -*** Disk write bandwidth = 3.94752652296209 MB/s -*** Disk read bandwidth = 7.00654357888971 MB/s -*** Minimum energy = -106.191466575742 +*** Elapsed wall time = 0.538908 seconds +*** |--> S.join = 0.017655 seconds +*** |--> S.solve = 0.332455 seconds +*** |--> S.split = 0.062665 seconds +*** |--> Tensor update = 0.125605 seconds +*** |--> create = 0.016025 seconds +*** |--> destroy = 0.001555 seconds +*** |--> disk write = 0.009047 seconds +*** |--> disk read = 0.006443 seconds +*** |--> calc = 0.092506 seconds +*** Disk write bandwidth = 22.1924556741876 MB/s +*** Disk read bandwidth = 31.3298960899911 MB/s +*** Minimum energy = -106.191466575735 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 8.19881904590147e-08 +*** Energy difference with respect to previous leftright sweep = 4.31344062690187e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575742 +Energy at sites (8, 9) is -106.191466575735 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575742 +Energy at sites (7, 8) is -106.191466575735 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575742 +Energy at sites (6, 7) is -106.191466575735 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.191466575741 +Energy at sites (5, 6) is -106.191466575734 Stats: nIt(DAVIDSON) = 15 -Energy at sites (4, 5) is -106.191466575883 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (3, 4) is -106.191466575937 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (2, 3) is -106.191466575937 +Energy at sites (4, 5) is -106.191466575926 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (3, 4) is -106.191466575934 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -106.191466575935 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575937 +Energy at sites (1, 2) is -106.191466575935 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 2.9841 seconds -*** |--> S.join = 0.105493 seconds -*** |--> S.solve = 1.92978 seconds -*** |--> S.split = 0.346262 seconds -*** |--> Tensor update = 0.596264 seconds -*** |--> create = 0.028848 seconds -*** |--> destroy = 0.002635 seconds -*** |--> disk write = 0.02533 seconds -*** |--> disk read = 0.040908 seconds -*** |--> calc = 0.498418 seconds -*** Disk write bandwidth = 7.96914806584337 MB/s -*** Disk read bandwidth = 4.90796779320365 MB/s -*** Minimum energy = -106.191466575937 +*** Elapsed wall time = 0.527887 seconds +*** |--> S.join = 0.015619 seconds +*** |--> S.solve = 0.328413 seconds +*** |--> S.split = 0.060654 seconds +*** |--> Tensor update = 0.120663 seconds +*** |--> create = 0.015126 seconds +*** |--> destroy = 0.001432 seconds +*** |--> disk write = 0.010787 seconds +*** |--> disk read = 0.00606 seconds +*** |--> calc = 0.0872260000000001 seconds +*** Disk write bandwidth = 18.7131288131837 MB/s +*** Disk read bandwidth = 33.131212291151 MB/s +*** Minimum energy = -106.191466575935 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575937 +Energy at sites (0, 1) is -106.191466575935 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575937 +Energy at sites (1, 2) is -106.191466575935 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575937 +Energy at sites (2, 3) is -106.191466575935 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575937 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -106.191466575937 - Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -106.191466575935 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -106.191466575935 + Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.191466575949 - Stats: nIt(DAVIDSON) = 3 + Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575949 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 2.413544 seconds -*** |--> S.join = 0.11592 seconds -*** |--> S.solve = 1.43992 seconds -*** |--> S.split = 0.312354 seconds -*** |--> Tensor update = 0.539577 seconds -*** |--> create = 0.034523 seconds -*** |--> destroy = 0.002503 seconds -*** |--> disk write = 0.024935 seconds -*** |--> disk read = 0.028834 seconds -*** |--> calc = 0.448659 seconds -*** Disk write bandwidth = 8.0519409057299 MB/s -*** Disk read bandwidth = 7.0007116774576 MB/s +*** Elapsed wall time = 0.465484 seconds +*** |--> S.join = 0.019369 seconds +*** |--> S.solve = 0.264108 seconds +*** |--> S.split = 0.063689 seconds +*** |--> Tensor update = 0.118161 seconds +*** |--> create = 0.015789 seconds +*** |--> destroy = 0.001414 seconds +*** |--> disk write = 0.009662 seconds +*** |--> disk read = 0.005954 seconds +*** |--> calc = 0.085309 seconds +*** Disk write bandwidth = 20.779874403268 MB/s +*** Disk read bandwidth = 33.9030098266397 MB/s *** Minimum energy = -106.191466575949 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.07649009098532e-10 +*** Energy difference with respect to previous leftright sweep = 2.14328110814677e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575949 @@ -2521,11 +2557,11 @@ Energy at sites (7, 8) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575949 - Stats: nIt(DAVIDSON) = 2 + Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575949 - Stats: nIt(DAVIDSON) = 12 + Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 12 + Stats: nIt(DAVIDSON) = 11 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 @@ -2533,18 +2569,18 @@ Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 2.827198 seconds -*** |--> S.join = 0.112475 seconds -*** |--> S.solve = 1.621074 seconds -*** |--> S.split = 0.334774 seconds -*** |--> Tensor update = 0.75617 seconds -*** |--> create = 0.044759 seconds -*** |--> destroy = 0.015166 seconds -*** |--> disk write = 0.148252 seconds -*** |--> disk read = 0.025529 seconds -*** |--> calc = 0.522302 seconds -*** Disk write bandwidth = 1.36159053846027 MB/s -*** Disk read bandwidth = 7.86459111145658 MB/s +*** Elapsed wall time = 0.505629 seconds +*** |--> S.join = 0.019176 seconds +*** |--> S.solve = 0.288627 seconds +*** |--> S.split = 0.069829 seconds +*** |--> Tensor update = 0.127682 seconds +*** |--> create = 0.015605 seconds +*** |--> destroy = 0.001389 seconds +*** |--> disk write = 0.012207 seconds +*** |--> disk read = 0.006094 seconds +*** |--> calc = 0.092353 seconds +*** Disk write bandwidth = 16.5362923329084 MB/s +*** Disk read bandwidth = 32.9463647004225 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** @@ -2556,7 +2592,7 @@ Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 6 + Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 @@ -2566,21 +2602,21 @@ Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 2.630042 seconds -*** |--> S.join = 0.131043 seconds -*** |--> S.solve = 1.423446 seconds -*** |--> S.split = 0.39775 seconds -*** |--> Tensor update = 0.671126 seconds -*** |--> create = 0.039688 seconds -*** |--> destroy = 0.002877 seconds -*** |--> disk write = 0.034859 seconds -*** |--> disk read = 0.019316 seconds -*** |--> calc = 0.574229 seconds -*** Disk write bandwidth = 5.7596358611657 MB/s -*** Disk read bandwidth = 10.4503272161841 MB/s +*** Elapsed wall time = 0.426775 seconds +*** |--> S.join = 0.019698 seconds +*** |--> S.solve = 0.221614 seconds +*** |--> S.split = 0.067287 seconds +*** |--> Tensor update = 0.117414 seconds +*** |--> create = 0.016162 seconds +*** |--> destroy = 0.001382 seconds +*** |--> disk write = 0.011832 seconds +*** |--> disk read = 0.007133 seconds +*** |--> calc = 0.080876 seconds +*** Disk write bandwidth = 16.9688257677802 MB/s +*** Disk read bandwidth = 28.2992458303396 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 9.9475983006414e-13 +*** Energy difference with respect to previous leftright sweep = 1.16529008664656e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2594,52 +2630,52 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.99999399659679 , 1.99366325610895 , 1.8719004900368 ]. - NOON of irrep B2g = [ 0.584814275104188 ]. - NOON of irrep B3g = [ 0.584814291419344 ]. - NOON of irrep B1u = [ 1.9999978338918 , 1.12096429213466 , 1.00219410696232 ]. - NOON of irrep B2u = [ 1.42082872116258 ]. - NOON of irrep B3u = [ 1.42082873658258 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.1712823223263e-05 , 0.0722109547500224 , 0.460791914175571 , 1.13075779158772 , 1.13075780094875 , 6.175029519041e-05 , 0.977139015237449 , 0.735936484020563 , 1.12042723654906 , 1.12042722855314 ]. - Idistance(0) = 5.65234394234065 - Idistance(1) = 19.8382956626179 - Idistance(2) = 88.8195403655036 + Econst + 0.5 * trace(2DM-A * Ham) = -106.191466575951 + NOON of irrep Ag = [ 1.99999399659741 , 1.99366325695274 , 1.87190049348593 ]. + NOON of irrep B2g = [ 0.584814265194921 ]. + NOON of irrep B3g = [ 0.584814297638926 ]. + NOON of irrep B1u = [ 1.99999783389175 , 1.12096429101962 , 1.00219410796107 ]. + NOON of irrep B2u = [ 1.42082871131901 ]. + NOON of irrep B3u = [ 1.42082874593863 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128154130036e-05 , 0.0722109519004012 , 0.460791903379541 , 1.13075778657051 , 1.13075779962651 , 6.17502958690586e-05 , 0.977139013825704 , 0.735936478847735 , 1.12042724178228 , 1.1204272244453 ]. + Idistance(0) = 5.65234391353869 + Idistance(1) = 19.8382955566426 + Idistance(2) = 88.8195398489108 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 2.331241 seconds -*** |--> MPS gauge change = 0.785731 seconds -*** |--> Diagram calc = 0.192702 seconds -*** |--> Tensor update = 1.350197 seconds -*** |--> create = 0.092551 seconds -*** |--> destroy = 0.00661600000000001 seconds -*** |--> disk write = 0.062104 seconds -*** |--> disk read = 0.084117 seconds -*** |--> calc = 1.104376 seconds -*** Disk write bandwidth = 6.80053447549926 MB/s -*** Disk read bandwidth = 5.02086846970774 MB/s +*** Elapsed wall time = 0.457495 seconds +*** |--> MPS gauge change = 0.132801 seconds +*** |--> Diagram calc = 0.023855 seconds +*** |--> Tensor update = 0.298813 seconds +*** |--> create = 0.035698 seconds +*** |--> destroy = 0.002578 seconds +*** |--> disk write = 0.026641 seconds +*** |--> disk read = 0.01613 seconds +*** |--> calc = 0.217666 seconds +*** Disk write bandwidth = 15.8530232748923 MB/s +*** Disk read bandwidth = 26.1835333581157 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 = 31.343953 seconds -FCI::matvec : Wall time = 33.83581 seconds -FCI::matvec : Wall time = 28.796481 seconds -FCI::matvec : Wall time = 33.179024 seconds -FCI::matvec : Wall time = 28.875552 seconds -FCI::matvec : Wall time = 29.647607 seconds -FCI::matvec : Wall time = 30.463724 seconds -FCI::matvec : Wall time = 27.599757 seconds -FCI::matvec : Wall time = 27.429965 seconds -FCI::matvec : Wall time = 27.08104 seconds -FCI::matvec : Wall time = 29.4317 seconds -FCI::matvec : Wall time = 29.107345 seconds -FCI::matvec : Wall time = 29.26344 seconds -FCI::matvec : Wall time = 30.887429 seconds -FCI::matvec : Wall time = 25.979741 seconds -FCI::matvec : Wall time = 27.671423 seconds -FCI::matvec : Wall time = 27.475447 seconds -FCI::matvec : Wall time = 26.555727 seconds +FCI::matvec : Wall time = 5.075169 seconds +FCI::matvec : Wall time = 5.021041 seconds +FCI::matvec : Wall time = 4.930806 seconds +FCI::matvec : Wall time = 3.398336 seconds +FCI::matvec : Wall time = 0.348621 seconds +FCI::matvec : Wall time = 0.022542 seconds +FCI::matvec : Wall time = 0.271375 seconds +FCI::matvec : Wall time = 0.787931 seconds +FCI::matvec : Wall time = 0.029609 seconds +FCI::matvec : Wall time = 0.026706 seconds +FCI::matvec : Wall time = 0.171856 seconds +FCI::matvec : Wall time = 0.026057 seconds +FCI::matvec : Wall time = 0.025802 seconds +FCI::matvec : Wall time = 0.02682 seconds +FCI::matvec : Wall time = 0.026219 seconds +FCI::matvec : Wall time = 0.025632 seconds +FCI::matvec : Wall time = 0.026969 seconds +FCI::matvec : Wall time = 0.426066 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 @@ -2661,213 +2697,213 @@ 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 -101.259906715059 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (8, 9) is -103.875092981648 + Stats: nIt(DAVIDSON) = 30 +Energy at sites (7, 8) is -106.707762969156 Stats: nIt(DAVIDSON) = 26 -Energy at sites (7, 8) is -106.574835526989 +Energy at sites (6, 7) is -106.778727623237 + Stats: nIt(DAVIDSON) = 62 +Energy at sites (5, 6) is -107.064355826102 Stats: nIt(DAVIDSON) = 38 -Energy at sites (6, 7) is -106.778954828005 - Stats: nIt(DAVIDSON) = 73 -Energy at sites (5, 6) is -107.27622728312 - Stats: nIt(DAVIDSON) = 28 -Energy at sites (4, 5) is -107.346009694924 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (3, 4) is -107.346129966068 +Energy at sites (4, 5) is -107.34512256984 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (3, 4) is -107.345239836609 Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.346131575832 +Energy at sites (2, 3) is -107.34524120404 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346131575831 +Energy at sites (1, 2) is -107.34524120404 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 7.45154 seconds -*** |--> S.join = 0.107205 seconds -*** |--> S.solve = 6.492688 seconds -*** |--> S.split = 0.320487 seconds -*** |--> Tensor update = 0.52865 seconds -*** |--> create = 0.02664 seconds -*** |--> destroy = 0.010916 seconds -*** |--> disk write = 0.023997 seconds -*** |--> disk read = 0.013622 seconds -*** |--> calc = 0.453343 seconds -*** Disk write bandwidth = 34.120374259022 MB/s -*** Disk read bandwidth = 59.841628152357 MB/s -*** Minimum energy = -107.346131575832 +*** Elapsed wall time = 1.622114 seconds +*** |--> S.join = 0.022085 seconds +*** |--> S.solve = 1.398186 seconds +*** |--> S.split = 0.065602 seconds +*** |--> Tensor update = 0.133823 seconds +*** |--> create = 0.020045 seconds +*** |--> destroy = 0.001531 seconds +*** |--> disk write = 0.013824 seconds +*** |--> disk read = 0.008395 seconds +*** |--> calc = 0.089991 seconds +*** Disk write bandwidth = 59.2293562712493 MB/s +*** Disk read bandwidth = 97.1009718512694 MB/s +*** Minimum energy = -107.34524120404 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346131575831 +Energy at sites (0, 1) is -107.34524120404 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346131575831 +Energy at sites (1, 2) is -107.34524120404 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346131575831 +Energy at sites (2, 3) is -107.34524120404 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (3, 4) is -107.345241205425 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346131578656 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.346131628455 +Energy at sites (4, 5) is -107.345241251228 Stats: nIt(DAVIDSON) = 14 -Energy at sites (5, 6) is -107.346320563466 +Energy at sites (5, 6) is -107.346318057427 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346325354563 +Energy at sites (6, 7) is -107.346323074206 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325354563 +Energy at sites (7, 8) is -107.346323074206 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 2.24912 seconds -*** |--> S.join = 0.130879 seconds -*** |--> S.solve = 1.294149 seconds -*** |--> S.split = 0.31011 seconds -*** |--> Tensor update = 0.511959 seconds -*** |--> create = 0.040104 seconds -*** |--> destroy = 0.002704 seconds -*** |--> disk write = 0.027564 seconds -*** |--> disk read = 0.035726 seconds -*** |--> calc = 0.405697 seconds -*** Disk write bandwidth = 29.5734530072343 MB/s -*** Disk read bandwidth = 22.9185081199617 MB/s -*** Minimum energy = -107.346325354563 +*** Elapsed wall time = 0.513834 seconds +*** |--> S.join = 0.019064 seconds +*** |--> S.solve = 0.31038 seconds +*** |--> S.split = 0.062993 seconds +*** |--> Tensor update = 0.120462 seconds +*** |--> create = 0.020024 seconds +*** |--> destroy = 0.001508 seconds +*** |--> disk write = 0.011387 seconds +*** |--> disk read = 0.006302 seconds +*** |--> calc = 0.081193 seconds +*** Disk write bandwidth = 71.5871308238699 MB/s +*** Disk read bandwidth = 129.924884337314 MB/s +*** Minimum energy = -107.346323074206 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346325354563 +*** Energy difference with respect to previous leftright sweep = 107.346323074206 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346325354563 +Energy at sites (8, 9) is -107.346323074206 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325354563 +Energy at sites (7, 8) is -107.346323074206 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346325354563 +Energy at sites (6, 7) is -107.346323074206 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (5, 6) is -107.346323078156 Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.346325358855 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.346326086135 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346326104218 +Energy at sites (4, 5) is -107.346325991511 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.346326095182 Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.346326104229 +Energy at sites (2, 3) is -107.346326095219 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326104228 +Energy at sites (1, 2) is -107.346326095219 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 2.10268 seconds -*** |--> S.join = 0.09915 seconds -*** |--> S.solve = 1.110879 seconds -*** |--> S.split = 0.36139 seconds -*** |--> Tensor update = 0.528692 seconds -*** |--> create = 0.039465 seconds -*** |--> destroy = 0.007026 seconds -*** |--> disk write = 0.030725 seconds -*** |--> disk read = 0.018102 seconds -*** |--> calc = 0.433243 seconds -*** Disk write bandwidth = 26.6488729403987 MB/s -*** Disk read bandwidth = 45.0316351061433 MB/s -*** Minimum energy = -107.346326104229 +*** Elapsed wall time = 0.502435 seconds +*** |--> S.join = 0.018282 seconds +*** |--> S.solve = 0.244454 seconds +*** |--> S.split = 0.067616 seconds +*** |--> Tensor update = 0.171241 seconds +*** |--> create = 0.018974 seconds +*** |--> destroy = 0.001541 seconds +*** |--> disk write = 0.053267 seconds +*** |--> disk read = 0.015994 seconds +*** |--> calc = 0.081422 seconds +*** Disk write bandwidth = 15.3713672835667 MB/s +*** Disk read bandwidth = 50.9667787102292 MB/s +*** Minimum energy = -107.346326095219 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326104229 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326104228 +Energy at sites (0, 1) is -107.346326095219 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326104229 +Energy at sites (1, 2) is -107.346326095219 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326104228 +Energy at sites (2, 3) is -107.346326095219 Stats: nIt(DAVIDSON) = 1 -Energy at sites (4, 5) is -107.346326104228 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (5, 6) is -107.346326114765 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346326114765 +Energy at sites (3, 4) is -107.346326095219 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (4, 5) is -107.346326095275 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (5, 6) is -107.346326114573 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -107.346326114851 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114766 +Energy at sites (7, 8) is -107.346326114851 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 2.035109 seconds -*** |--> S.join = 0.099625 seconds -*** |--> S.solve = 0.883895 seconds -*** |--> S.split = 0.401114 seconds -*** |--> Tensor update = 0.648685 seconds -*** |--> create = 0.0398720000000001 seconds -*** |--> destroy = 0.003317 seconds -*** |--> disk write = 0.03415 seconds -*** |--> disk read = 0.038636 seconds -*** |--> calc = 0.532415 seconds -*** Disk write bandwidth = 23.870063212047 MB/s -*** Disk read bandwidth = 21.1923237678266 MB/s -*** Minimum energy = -107.346326114766 +*** Elapsed wall time = 0.402091 seconds +*** |--> S.join = 0.018368 seconds +*** |--> S.solve = 0.190578 seconds +*** |--> S.split = 0.067628 seconds +*** |--> Tensor update = 0.124623 seconds +*** |--> create = 0.0198240000000001 seconds +*** |--> destroy = 0.001498 seconds +*** |--> disk write = 0.011606 seconds +*** |--> disk read = 0.007527 seconds +*** |--> calc = 0.084138 seconds +*** Disk write bandwidth = 70.2363138627784 MB/s +*** Disk read bandwidth = 108.779941689086 MB/s +*** Minimum energy = -107.346326114851 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 7.60202908622887e-07 +*** Energy difference with respect to previous leftright sweep = 3.04064559486505e-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 = -107.346326114766 -*** Minimum energy encountered during the last sweep = -107.346326114766 +*** Minimum energy encountered during all instructions = -107.346326114851 +*** Minimum energy encountered during the last sweep = -107.346326114851 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.346326114767 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.34632611481 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (6, 7) is -107.346326114812 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (5, 6) is -107.346326114813 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.346326115019 +Energy at sites (8, 9) is -107.346326114852 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (7, 8) is -107.346326114854 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.34632611502 +Energy at sites (6, 7) is -107.346326114856 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (5, 6) is -107.346326114872 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -107.34632611502 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (3, 4) is -107.346326115023 Stats: nIt(DAVIDSON) = 7 -Energy at sites (2, 3) is -107.34632611502 +Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632611502 +Energy at sites (1, 2) is -107.346326115023 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 3.799367 seconds -*** |--> S.join = 0.086948 seconds -*** |--> S.solve = 2.826683 seconds -*** |--> S.split = 0.288321 seconds -*** |--> Tensor update = 0.5878 seconds -*** |--> create = 0.033067 seconds -*** |--> destroy = 0.017852 seconds -*** |--> disk write = 0.053478 seconds -*** |--> disk read = 0.02818 seconds -*** |--> calc = 0.455101 seconds -*** Disk write bandwidth = 15.3107188207066 MB/s -*** Disk read bandwidth = 28.9269928563309 MB/s -*** Minimum energy = -107.34632611502 +*** Elapsed wall time = 0.852808 seconds +*** |--> S.join = 0.019697 seconds +*** |--> S.solve = 0.634834 seconds +*** |--> S.split = 0.073503 seconds +*** |--> Tensor update = 0.123948 seconds +*** |--> create = 0.018632 seconds +*** |--> destroy = 0.001664 seconds +*** |--> disk write = 0.011498 seconds +*** |--> disk read = 0.006658 seconds +*** |--> calc = 0.085463 seconds +*** Disk write bandwidth = 71.2112211770525 MB/s +*** Disk read bandwidth = 122.433562434876 MB/s +*** Minimum energy = -107.346326115023 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.34632611502 +Energy at sites (0, 1) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632611502 +Energy at sites (1, 2) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.34632611502 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.34632611502 +Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.34632611502 - Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -107.346326115023 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.346326115023 + Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 5 + Stats: nIt(DAVIDSON) = 7 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 2.309133 seconds -*** |--> S.join = 0.088762 seconds -*** |--> S.solve = 1.397803 seconds -*** |--> S.split = 0.3064 seconds -*** |--> Tensor update = 0.503771 seconds -*** |--> create = 0.0394480000000001 seconds -*** |--> destroy = 0.003122 seconds -*** |--> disk write = 0.02808 seconds -*** |--> disk read = 0.016631 seconds -*** |--> calc = 0.416374 seconds -*** Disk write bandwidth = 29.0300092126569 MB/s -*** Disk read bandwidth = 49.232554933182 MB/s +*** Elapsed wall time = 0.579309 seconds +*** |--> S.join = 0.016504 seconds +*** |--> S.solve = 0.369217 seconds +*** |--> S.split = 0.067365 seconds +*** |--> Tensor update = 0.125497 seconds +*** |--> create = 0.01926 seconds +*** |--> destroy = 0.001443 seconds +*** |--> disk write = 0.011306 seconds +*** |--> disk read = 0.007352 seconds +*** |--> calc = 0.086095 seconds +*** Disk write bandwidth = 72.1000051911734 MB/s +*** Disk read bandwidth = 111.369235730924 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.58722820944968e-10 +*** Energy difference with respect to previous leftright sweep = 1.73173475559452e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115024 @@ -2875,66 +2911,66 @@ Energy at sites (7, 8) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (5, 6) is -107.346326115025 + Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.346326115024 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.346326115025 - Stats: nIt(DAVIDSON) = 2 + Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115025 +Energy at sites (1, 2) is -107.346326115024 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 2.296407 seconds -*** |--> S.join = 0.098962 seconds -*** |--> S.solve = 1.291747 seconds -*** |--> S.split = 0.306582 seconds -*** |--> Tensor update = 0.596966 seconds -*** |--> create = 0.030619 seconds -*** |--> destroy = 0.011489 seconds -*** |--> disk write = 0.034513 seconds -*** |--> disk read = 0.017872 seconds -*** |--> calc = 0.50238 seconds -*** Disk write bandwidth = 23.7240060584055 MB/s -*** Disk read bandwidth = 45.6111604012649 MB/s +*** Elapsed wall time = 0.494936 seconds +*** |--> S.join = 0.018738 seconds +*** |--> S.solve = 0.287487 seconds +*** |--> S.split = 0.062058 seconds +*** |--> Tensor update = 0.125934 seconds +*** |--> create = 0.019953 seconds +*** |--> destroy = 0.001579 seconds +*** |--> disk write = 0.012593 seconds +*** |--> disk read = 0.007276 seconds +*** |--> calc = 0.084502 seconds +*** Disk write bandwidth = 65.019186936691 MB/s +*** Disk read bandwidth = 112.034450067538 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115025 +Energy at sites (0, 1) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115025 +Energy at sites (1, 2) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115025 - Stats: nIt(DAVIDSON) = 1 + 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) = 10 +Energy at sites (4, 5) is -107.346326115024 + Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.346326115024 +Energy at sites (6, 7) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115025 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 2.553545 seconds -*** |--> S.join = 0.137301 seconds -*** |--> S.solve = 1.321243 seconds -*** |--> S.split = 0.37987 seconds -*** |--> Tensor update = 0.714004 seconds -*** |--> create = 0.042602 seconds -*** |--> destroy = 0.010634 seconds -*** |--> disk write = 0.019499 seconds -*** |--> disk read = 0.018125 seconds -*** |--> calc = 0.623006 seconds -*** Disk write bandwidth = 41.8053571306942 MB/s -*** Disk read bandwidth = 45.1744342672414 MB/s +*** Elapsed wall time = 0.428126 seconds +*** |--> S.join = 0.022153 seconds +*** |--> S.solve = 0.212655 seconds +*** |--> S.split = 0.066256 seconds +*** |--> Tensor update = 0.126513 seconds +*** |--> create = 0.021594 seconds +*** |--> destroy = 0.001612 seconds +*** |--> disk write = 0.012203 seconds +*** |--> disk read = 0.007311 seconds +*** |--> calc = 0.083752 seconds +*** Disk write bandwidth = 66.8001850931252 MB/s +*** Disk read bandwidth = 111.993793064389 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.27373675443232e-13 +*** Energy difference with respect to previous leftright sweep = 1.70530256582424e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2949,51 +2985,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 - NOON of irrep Ag = [ 1.99999018535368 , 1.99292175274335 , 1.03221285685476 ]. - NOON of irrep B2g = [ 1.02415310258177 ]. - NOON of irrep B3g = [ 0.0896934287764058 ]. - NOON of irrep B1u = [ 1.99999295584654 , 1.95039154287684 , 0.0159495095118496 ]. - NOON of irrep B2u = [ 1.91962159296813 ]. - NOON of irrep B3u = [ 1.97507307248667 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322992319068 , 0.0447141468827113 , 0.838966994115033 , 0.790658960253152 , 0.317368561136129 , 9.2498950063684e-05 , 0.227634117187572 , 0.0907424583840433 , 0.2996528048411 , 0.133979296986096 ]. - Idistance(0) = 1.57215407894202 - Idistance(1) = 5.15805448314275 - Idistance(2) = 21.9866409899022 + NOON of irrep Ag = [ 1.99999018535384 , 1.99292175288072 , 1.03221285660873 ]. + NOON of irrep B2g = [ 1.02415310261014 ]. + NOON of irrep B3g = [ 0.0896934287804233 ]. + NOON of irrep B1u = [ 1.99999295584655 , 1.95039154292662 , 0.0159495095521486 ]. + NOON of irrep B2u = [ 1.91962159296919 ]. + NOON of irrep B3u = [ 1.97507307247164 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322989674212 , 0.0447141460706623 , 0.838966994985337 , 0.790658960256718 , 0.317368561239962 , 9.24989500795122e-05 , 0.227634117012716 , 0.0907424586328375 , 0.299652804929945 , 0.133979297052198 ]. + Idistance(0) = 1.5721540793488 + Idistance(1) = 5.15805448346189 + Idistance(2) = 21.9866409837876 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 2.679571 seconds -*** |--> MPS gauge change = 0.903568 seconds -*** |--> Diagram calc = 0.179072 seconds -*** |--> Tensor update = 1.595392 seconds -*** |--> create = 0.109857 seconds -*** |--> destroy = 0.005371 seconds -*** |--> disk write = 0.051398 seconds -*** |--> disk read = 0.085454 seconds -*** |--> calc = 1.342835 seconds -*** Disk write bandwidth = 32.3138212321765 MB/s -*** Disk read bandwidth = 19.435787484394 MB/s +*** Elapsed wall time = 0.483429 seconds +*** |--> MPS gauge change = 0.138168 seconds +*** |--> Diagram calc = 0.024494 seconds +*** |--> Tensor update = 0.319763 seconds +*** |--> create = 0.046641 seconds +*** |--> destroy = 0.003007 seconds +*** |--> disk write = 0.052562 seconds +*** |--> disk read = 0.016586 seconds +*** |--> calc = 0.200833 seconds +*** Disk write bandwidth = 31.5982227405998 MB/s +*** Disk read bandwidth = 100.136608205198 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 = 37.688001 seconds -FCI::matvec : Wall time = 33.507719 seconds -FCI::matvec : Wall time = 33.200121 seconds -FCI::matvec : Wall time = 36.155159 seconds -FCI::matvec : Wall time = 36.103631 seconds -FCI::matvec : Wall time = 34.123861 seconds -FCI::matvec : Wall time = 34.983826 seconds -FCI::matvec : Wall time = 40.595446 seconds -FCI::matvec : Wall time = 50.095358 seconds -FCI::matvec : Wall time = 43.071411 seconds -FCI::matvec : Wall time = 37.463559 seconds -FCI::matvec : Wall time = 38.171293 seconds -FCI::matvec : Wall time = 41.442982 seconds -FCI::matvec : Wall time = 34.7754 seconds -FCI::matvec : Wall time = 36.035344 seconds -FCI::matvec : Wall time = 38.59907 seconds -FCI::matvec : Wall time = 33.427134 seconds -FCI::matvec : Wall time = 37.959496 seconds +FCI::matvec : Wall time = 4.471557 seconds +FCI::matvec : Wall time = 0.036632 seconds +FCI::matvec : Wall time = 0.035906 seconds +FCI::matvec : Wall time = 2.757952 seconds +FCI::matvec : Wall time = 0.494002 seconds +FCI::matvec : Wall time = 0.036031 seconds +FCI::matvec : Wall time = 0.04707 seconds +FCI::matvec : Wall time = 0.0519510000000001 seconds +FCI::matvec : Wall time = 0.035428 seconds +FCI::matvec : Wall time = 0.847076 seconds +FCI::matvec : Wall time = 0.138277 seconds +FCI::matvec : Wall time = 0.03515 seconds +FCI::matvec : Wall time = 0.485963 seconds +FCI::matvec : Wall time = 0.029495 seconds +FCI::matvec : Wall time = 0.029947 seconds +FCI::matvec : Wall time = 0.029474 seconds +FCI::matvec : Wall time = 0.069195 seconds +FCI::matvec : Wall time = 0.030999 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 @@ -3015,177 +3051,177 @@ 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) = 13 -Energy at sites (8, 9) is -103.167947187665 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (7, 8) is -106.56557975251 - Stats: nIt(DAVIDSON) = 62 -Energy at sites (6, 7) is -106.950866131694 - Stats: nIt(DAVIDSON) = 60 -Energy at sites (5, 6) is -107.184956363341 - Stats: nIt(DAVIDSON) = 46 -Energy at sites (4, 5) is -107.188310095689 - Stats: nIt(DAVIDSON) = 29 -Energy at sites (3, 4) is -107.19949168723 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (8, 9) is -101.033042316203 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (7, 8) is -106.667196532787 + Stats: nIt(DAVIDSON) = 47 +Energy at sites (6, 7) is -106.950684673392 + Stats: nIt(DAVIDSON) = 63 +Energy at sites (5, 6) is -107.185961824144 + Stats: nIt(DAVIDSON) = 44 +Energy at sites (4, 5) is -107.189054151384 + Stats: nIt(DAVIDSON) = 43 +Energy at sites (3, 4) is -107.199461147326 Stats: nIt(DAVIDSON) = 12 -Energy at sites (2, 3) is -107.199506033093 +Energy at sites (2, 3) is -107.199481969821 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199506033093 +Energy at sites (1, 2) is -107.199481969821 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 8.203783 seconds -*** |--> S.join = 0.092586 seconds -*** |--> S.solve = 7.229371 seconds -*** |--> S.split = 0.323415 seconds -*** |--> Tensor update = 0.552604 seconds -*** |--> create = 0.055403 seconds -*** |--> destroy = 0.00678 seconds -*** |--> disk write = 0.018487 seconds -*** |--> disk read = 0.022488 seconds -*** |--> calc = 0.449182 seconds -*** Disk write bandwidth = 45.5011031558916 MB/s -*** Disk read bandwidth = 37.2445273764063 MB/s -*** Minimum energy = -107.199506033093 +*** Elapsed wall time = 1.952214 seconds +*** |--> S.join = 0.02365 seconds +*** |--> S.solve = 1.523481 seconds +*** |--> S.split = 0.04657 seconds +*** |--> Tensor update = 0.357968 seconds +*** |--> create = 0.018506 seconds +*** |--> destroy = 0.001363 seconds +*** |--> disk write = 0.164417 seconds +*** |--> disk read = 0.11043 seconds +*** |--> calc = 0.063219 seconds +*** Disk write bandwidth = 5.11613089913433 MB/s +*** Disk read bandwidth = 7.58448729186476 MB/s +*** Minimum energy = -107.199481969821 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199506033093 +Energy at sites (0, 1) is -107.199481969821 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199506033093 +Energy at sites (1, 2) is -107.199481969821 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199506033093 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.199506034533 +Energy at sites (2, 3) is -107.199481969821 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.199481977294 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.199517067165 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -107.199599693212 +Energy at sites (4, 5) is -107.199496416479 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (5, 6) is -107.199530955849 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.199617169696 +Energy at sites (6, 7) is -107.199614326446 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617169696 +Energy at sites (7, 8) is -107.199614326446 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 2.390233 seconds -*** |--> S.join = 0.090469 seconds -*** |--> S.solve = 1.516971 seconds -*** |--> S.split = 0.285643 seconds -*** |--> Tensor update = 0.490772 seconds -*** |--> create = 0.027649 seconds -*** |--> destroy = 0.011157 seconds -*** |--> disk write = 0.021715 seconds -*** |--> disk read = 0.012796 seconds -*** |--> calc = 0.417302 seconds -*** Disk write bandwidth = 38.5703399327942 MB/s -*** Disk read bandwidth = 65.7376441108916 MB/s -*** Minimum energy = -107.199617169696 +*** Elapsed wall time = 0.541965 seconds +*** |--> S.join = 0.018277 seconds +*** |--> S.solve = 0.335847 seconds +*** |--> S.split = 0.069726 seconds +*** |--> Tensor update = 0.117558 seconds +*** |--> create = 0.019207 seconds +*** |--> destroy = 0.001576 seconds +*** |--> disk write = 0.010315 seconds +*** |--> disk read = 0.00604 seconds +*** |--> calc = 0.080384 seconds +*** Disk write bandwidth = 81.1977636103369 MB/s +*** Disk read bandwidth = 139.268028815061 MB/s +*** Minimum energy = -107.199614326446 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617169696 +*** Energy difference with respect to previous leftright sweep = 107.199614326446 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617169696 +Energy at sites (8, 9) is -107.199614326446 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617169696 +Energy at sites (7, 8) is -107.199614326446 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617169696 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -107.199617243621 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.199617343445 +Energy at sites (6, 7) is -107.199614326446 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (5, 6) is -107.199617192915 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.199617420855 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.199617421252 +Energy at sites (4, 5) is -107.199617358523 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.19961741965 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (2, 3) is -107.199617420257 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421252 +Energy at sites (1, 2) is -107.199617420257 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 2.210788 seconds -*** |--> S.join = 0.098001 seconds -*** |--> S.solve = 1.247724 seconds -*** |--> S.split = 0.312591 seconds -*** |--> Tensor update = 0.54983 seconds -*** |--> create = 0.027036 seconds -*** |--> destroy = 0.031364 seconds -*** |--> disk write = 0.063057 seconds -*** |--> disk read = 0.0231610000000001 seconds -*** |--> calc = 0.405061 seconds -*** Disk write bandwidth = 13.3399764347014 MB/s -*** Disk read bandwidth = 36.1622957402799 MB/s -*** Minimum energy = -107.199617421252 +*** Elapsed wall time = 0.519142 seconds +*** |--> S.join = 0.02091 seconds +*** |--> S.solve = 0.309082 seconds +*** |--> S.split = 0.068659 seconds +*** |--> Tensor update = 0.119862 seconds +*** |--> create = 0.018778 seconds +*** |--> destroy = 0.00149 seconds +*** |--> disk write = 0.012234 seconds +*** |--> disk read = 0.005851 seconds +*** |--> calc = 0.081473 seconds +*** Disk write bandwidth = 68.7574704955835 MB/s +*** Disk read bandwidth = 143.147313560182 MB/s +*** Minimum energy = -107.199617420257 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617421252 +Energy at sites (0, 1) is -107.199617420258 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421252 +Energy at sites (1, 2) is -107.199617420257 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421252 +Energy at sites (2, 3) is -107.199617420257 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617421252 +Energy at sites (3, 4) is -107.199617420258 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617421396 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.19961742184 +Energy at sites (4, 5) is -107.19961742037 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (5, 6) is -107.199617421039 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.199617421894 +Energy at sites (6, 7) is -107.199617421865 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421894 +Energy at sites (7, 8) is -107.199617421865 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.873646 seconds -*** |--> S.join = 0.104459 seconds -*** |--> S.solve = 0.893041 seconds -*** |--> S.split = 0.283199 seconds -*** |--> Tensor update = 0.591612 seconds -*** |--> create = 0.056119 seconds -*** |--> destroy = 0.007105 seconds -*** |--> disk write = 0.040223 seconds -*** |--> disk read = 0.041113 seconds -*** |--> calc = 0.44694 seconds -*** Disk write bandwidth = 20.8227862576293 MB/s -*** Disk read bandwidth = 20.4601681716968 MB/s -*** Minimum energy = -107.199617421894 +*** Elapsed wall time = 0.380845 seconds +*** |--> S.join = 0.018604 seconds +*** |--> S.solve = 0.174705 seconds +*** |--> S.split = 0.062492 seconds +*** |--> Tensor update = 0.124511 seconds +*** |--> create = 0.018643 seconds +*** |--> destroy = 0.001379 seconds +*** |--> disk write = 0.01363 seconds +*** |--> disk read = 0.007278 seconds +*** |--> calc = 0.08355 seconds +*** Disk write bandwidth = 61.4493713602806 MB/s +*** Disk read bandwidth = 115.578303660754 MB/s +*** Minimum energy = -107.199617421865 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.52198390171543e-07 +*** Energy difference with respect to previous leftright sweep = 3.09541965748394e-06 ****************************************************************** *** 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 = -107.199617421894 -*** Minimum energy encountered during the last sweep = -107.199617421894 +*** Minimum energy encountered during all instructions = -107.199617421865 +*** Minimum energy encountered during the last sweep = -107.199617421865 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.199617421896 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.199617421897 +Energy at sites (8, 9) is -107.199617421874 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (7, 8) is -107.19961742188 Stats: nIt(DAVIDSON) = 17 -Energy at sites (6, 7) is -107.199617421902 +Energy at sites (6, 7) is -107.199617421892 Stats: nIt(DAVIDSON) = 24 -Energy at sites (5, 6) is -107.199617421912 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.199617421914 +Energy at sites (5, 6) is -107.199617421914 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -107.199617421916 Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -107.199617421919 +Energy at sites (3, 4) is -107.199617421918 Stats: nIt(DAVIDSON) = 9 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 = 4.294486 seconds -*** |--> S.join = 0.094511 seconds -*** |--> S.solve = 3.325901 seconds -*** |--> S.split = 0.307952 seconds -*** |--> Tensor update = 0.564339 seconds -*** |--> create = 0.039591 seconds -*** |--> destroy = 0.01153 seconds -*** |--> disk write = 0.037876 seconds -*** |--> disk read = 0.054389 seconds -*** |--> calc = 0.420789 seconds -*** Disk write bandwidth = 22.2087573672766 MB/s -*** Disk read bandwidth = 15.3993441990223 MB/s +*** Elapsed wall time = 0.950772 seconds +*** |--> S.join = 0.01691 seconds +*** |--> S.solve = 0.737461 seconds +*** |--> S.split = 0.06709 seconds +*** |--> Tensor update = 0.128603 seconds +*** |--> create = 0.019933 seconds +*** |--> destroy = 0.001569 seconds +*** |--> disk write = 0.012201 seconds +*** |--> disk read = 0.007795 seconds +*** |--> calc = 0.087063 seconds +*** Disk write bandwidth = 68.9434385741307 MB/s +*** Disk read bandwidth = 107.44771412965 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3195,33 +3231,33 @@ Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 - Stats: nIt(DAVIDSON) = 6 + Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199617421919 - Stats: nIt(DAVIDSON) = 17 + Stats: nIt(DAVIDSON) = 18 Energy at sites (5, 6) is -107.199617421919 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 11 Energy at sites (6, 7) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 3.263792 seconds -*** |--> S.join = 0.118255 seconds -*** |--> S.solve = 2.174233 seconds -*** |--> S.split = 0.31408 seconds -*** |--> Tensor update = 0.651416 seconds -*** |--> create = 0.034898 seconds -*** |--> destroy = 0.003286 seconds -*** |--> disk write = 0.054657 seconds -*** |--> disk read = 0.024944 seconds -*** |--> calc = 0.533481 seconds -*** Disk write bandwidth = 15.3238365011 MB/s -*** Disk read bandwidth = 33.7226945976174 MB/s +*** Elapsed wall time = 0.618504 seconds +*** |--> S.join = 0.018159 seconds +*** |--> S.solve = 0.406381 seconds +*** |--> S.split = 0.06925 seconds +*** |--> Tensor update = 0.123978 seconds +*** |--> create = 0.019517 seconds +*** |--> destroy = 0.001441 seconds +*** |--> disk write = 0.012951 seconds +*** |--> disk read = 0.007325 seconds +*** |--> calc = 0.082708 seconds +*** Disk write bandwidth = 64.6710625928982 MB/s +*** Disk read bandwidth = 114.836709084364 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.47268872044515e-11 +*** Energy difference with respect to previous leftright sweep = 5.34328137291595e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3236,54 +3272,54 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 - NOON of irrep Ag = [ 1.99998814651051 , 1.98924041564568 , 1.8768785798845 ]. - NOON of irrep B2g = [ 0.139387811343352 ]. - NOON of irrep B3g = [ 1.03112739712361 ]. - NOON of irrep B1u = [ 1.99999431244147 , 1.10839164066344 , 0.0211636956821805 ]. - NOON of irrep B2u = [ 1.96715797359139 ]. - NOON of irrep B3u = [ 1.86667002711387 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980010860171 , 0.0818410216502027 , 0.449623198312242 , 0.48664505574263 , 0.811029481579537 , 6.68868118641027e-05 , 0.962046613643307 , 0.11209507034464 , 0.167176150307087 , 0.475082461454108 ]. - Idistance(0) = 2.38445939141048 - Idistance(1) = 9.57998273776568 - Idistance(2) = 47.8783646782734 + NOON of irrep Ag = [ 1.99998814651018 , 1.98924041562226 , 1.87687857982598 ]. + NOON of irrep B2g = [ 0.139387811310771 ]. + NOON of irrep B3g = [ 1.0311273972441 ]. + NOON of irrep B1u = [ 1.99999431244147 , 1.10839164070665 , 0.0211636956869958 ]. + NOON of irrep B2u = [ 1.96715797354644 ]. + NOON of irrep B3u = [ 1.86667002710516 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980014341721 , 0.081841021746893 , 0.44962319846463 , 0.4866450556606 , 0.811029481556769 , 6.68868118773129e-05 , 0.962046613713166 , 0.112095070361387 , 0.167176150501115 , 0.475082461451558 ]. + Idistance(0) = 2.38445939063066 + Idistance(1) = 9.57998273598579 + Idistance(2) = 47.8783646729731 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 2.933289 seconds -*** |--> MPS gauge change = 0.924983 seconds -*** |--> Diagram calc = 0.209692 seconds -*** |--> Tensor update = 1.788516 seconds -*** |--> create = 0.105358 seconds -*** |--> destroy = 0.024097 seconds -*** |--> disk write = 0.080931 seconds -*** |--> disk read = 0.123085 seconds -*** |--> calc = 1.454416 seconds -*** Disk write bandwidth = 21.0753645647508 MB/s -*** Disk read bandwidth = 13.8574995295109 MB/s +*** Elapsed wall time = 2.046521 seconds +*** |--> MPS gauge change = 0.134633 seconds +*** |--> Diagram calc = 0.030643 seconds +*** |--> Tensor update = 1.880323 seconds +*** |--> create = 0.043468 seconds +*** |--> destroy = 0.002708 seconds +*** |--> disk write = 1.421715 seconds +*** |--> disk read = 0.203173 seconds +*** |--> calc = 0.209133 seconds +*** Disk write bandwidth = 1.19971325447776 MB/s +*** Disk read bandwidth = 8.39506395825156 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 = 37.223961 seconds -FCI::matvec : Wall time = 34.958629 seconds -FCI::matvec : Wall time = 39.167755 seconds -FCI::matvec : Wall time = 39.091568 seconds -FCI::matvec : Wall time = 39.811795 seconds -FCI::matvec : Wall time = 40.983642 seconds -FCI::matvec : Wall time = 43.43142 seconds -FCI::matvec : Wall time = 43.043233 seconds -FCI::matvec : Wall time = 39.855203 seconds -FCI::matvec : Wall time = 40.403492 seconds -FCI::matvec : Wall time = 39.57169 seconds -FCI::matvec : Wall time = 35.895147 seconds -FCI::matvec : Wall time = 40.159604 seconds -FCI::matvec : Wall time = 34.263608 seconds -FCI::matvec : Wall time = 45.031137 seconds -FCI::matvec : Wall time = 54.643467 seconds -FCI::matvec : Wall time = 44.763668 seconds -FCI::matvec : Wall time = 36.647453 seconds -FCI::matvec : Wall time = 44.915045 seconds -FCI::matvec : Wall time = 47.379126 seconds -FCI::matvec : Wall time = 59.190955 seconds +FCI::matvec : Wall time = 3.355698 seconds +FCI::matvec : Wall time = 6.914143 seconds +FCI::matvec : Wall time = 2.957918 seconds +FCI::matvec : Wall time = 0.035708 seconds +FCI::matvec : Wall time = 0.384628 seconds +FCI::matvec : Wall time = 0.035504 seconds +FCI::matvec : Wall time = 0.036121 seconds +FCI::matvec : Wall time = 0.034476 seconds +FCI::matvec : Wall time = 0.11542 seconds +FCI::matvec : Wall time = 6.984733 seconds +FCI::matvec : Wall time = 6.863247 seconds +FCI::matvec : Wall time = 21.711756 seconds +FCI::matvec : Wall time = 4.459849 seconds +FCI::matvec : Wall time = 0.05679 seconds +FCI::matvec : Wall time = 0.034233 seconds +FCI::matvec : Wall time = 0.034699 seconds +FCI::matvec : Wall time = 0.042463 seconds +FCI::matvec : Wall time = 0.034931 seconds +FCI::matvec : Wall time = 0.034628 seconds +FCI::matvec : Wall time = 0.034978 seconds +FCI::matvec : Wall time = 6.991278 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 @@ -3300,7 +3336,7 @@ 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 -j20 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 -j42 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" @@ -3315,56 +3351,56 @@ -- 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/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/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/Tensor3RDM.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/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/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/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/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/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/Wigner.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/DMRGSCFrotations.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/Sobject.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/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/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/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/DMRGSCFintegrals.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/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/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/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/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/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/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 @@ -3408,7 +3444,7 @@ 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_1.8.12-3.1_amd64) -+++ dpkg-gensymbolsiEZvYp 2024-05-31 19:13:25.608837420 -1200 ++++ dpkg-gensymbolsSIckcV 2025-07-05 03:45:13.486450367 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3473,13 +3509,13 @@ dpkg-gencontrol: warning: package libchemps2-3t64: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb -dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-3.1_all.deb'. -dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-3.1_amd64.deb'. dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-3.1_amd64.deb'. dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-3.1_amd64.deb'. +dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-3.1_all.deb'. +dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-3.1_amd64.deb'. +dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-3.1_amd64.deb'. dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-3.1_amd64.deb'. dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-3.1_amd64.deb'. -dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-3.1_amd64.deb'. dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-3.1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-3.1_amd64.buildinfo dpkg-genchanges --build=binary -O../chemps2_1.8.12-3.1_amd64.changes @@ -3488,12 +3524,14 @@ 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/3508684/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/3508684/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/2537173 and its subdirectories -I: Current time: Fri May 31 19:13:48 -12 2024 -I: pbuilder-time-stamp: 1717226028 +I: removing directory /srv/workspace/pbuilder/3508684 and its subdirectories +I: Current time: Sat Jul 5 03:45:19 +14 2025 +I: pbuilder-time-stamp: 1751636719