Diff of the two buildlogs: -- --- b1/build.log 2025-03-22 07:20:24.203918979 +0000 +++ b2/build.log 2025-03-22 07:23:35.403333569 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Fri Apr 24 01:41:04 -12 2026 -I: pbuilder-time-stamp: 1777038064 +I: Current time: Sat Mar 22 21:20:26 +14 2025 +I: pbuilder-time-stamp: 1742628026 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -23,54 +23,86 @@ dpkg-source: info: unpacking chemps2_1.8.12-4.debian.tar.xz I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/123616/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/24561/tmp/hooks/D01_modify_environment starting +debug: Running on ionos2-i386. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Mar 22 07:20 /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/24561/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/24561/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='i386' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=22 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='i386' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=10 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=i686 + HOST_ARCH=i386 IFS=' ' - INVOCATION_ID='bc2336edcc8946c7bcc1990dd066eec4' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - LD_LIBRARY_PATH='/usr/lib/libeatmydata' - LD_PRELOAD='libeatmydata.so' - 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='123616' - PS1='# ' - PS2='> ' + INVOCATION_ID=1a9b98abca5a4c288ead6c466d2ef4bb + LANG=C + LANGUAGE=de_CH:de + LC_ALL=C + LD_LIBRARY_PATH=/usr/lib/libeatmydata + LD_PRELOAD=libeatmydata.so + MACHTYPE=i686-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=24561 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.DWpQvwU9/pbuilderrc_74pX --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.DWpQvwU9/b1 --logfile b1/build.log chemps2_1.8.12-4.dsc' - SUDO_GID='112' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.DWpQvwU9/pbuilderrc_DEI0 --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.DWpQvwU9/b2 --logfile b2/build.log chemps2_1.8.12-4.dsc' + SUDO_GID=112 + SUDO_UID=107 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos6-i386 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/123616/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/24561/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -310,7 +342,7 @@ Get: 172 http://deb.debian.org/debian trixie/main i386 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 173 http://deb.debian.org/debian trixie/main i386 sphinx-common all 8.1.3-5 [617 kB] Get: 174 http://deb.debian.org/debian trixie/main i386 python3-sphinx all 8.1.3-5 [468 kB] -Fetched 111 MB in 2s (55.2 MB/s) +Fetched 111 MB in 2s (48.7 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:i386. (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 ... 19771 files and directories currently installed.) @@ -874,8 +906,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Fri Apr 24 13:41:33 UTC 2026. -Universal Time is now: Fri Apr 24 13:41:33 UTC 2026. +Local time is now: Sat Mar 22 07:21:05 UTC 2025. +Universal Time is now: Sat Mar 22 07:21:05 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -1048,7 +1080,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/chemps2-1.8.12/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../chemps2_1.8.12-4_source.changes +I: user script /srv/workspace/pbuilder/24561/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/24561/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/chemps2-1.8.12/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../chemps2_1.8.12-4_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.12-4 dpkg-buildpackage: info: source distribution unstable @@ -1117,7 +1153,7 @@ -- HDF5 detected. -- Found TargetHDF5: Found HDF5: /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/i386-linux-gnu/libcrypto.so;/usr/lib/i386-linux-gnu/libcurl.so;/usr/lib/i386-linux-gnu/libpthread.a;/usr/lib/i386-linux-gnu/libsz.so;/usr/lib/i386-linux-gnu/libz.so;/usr/lib/i386-linux-gnu/libdl.a;/usr/lib/i386-linux-gnu/libm.so (found version 1.14.5) (found version "1.14.5") -- Found Sphinx: /usr/bin/sphinx-build --- Configuring done (2.7s) +-- Configuring done (4.8s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -1132,7 +1168,7 @@ debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12' dh_auto_build -- VERBOSE=1 - cd obj-i686-linux-gnu && make -j22 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 + cd obj-i686-linux-gnu && make -j10 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/chemps2-1.8.12 -B/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -1144,21 +1180,17 @@ make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o +[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o +[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o +[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o [ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o +[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o +[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o [ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 +[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 @@ -1168,23 +1200,27 @@ cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -MF CMakeFiles/chemps2-base.dir/Cumulant.cpp.o.d -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Cumulant.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 +[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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/DMRGmpsio.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 [ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 [ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 +[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 [ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 +[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 -[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o [ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFmatrix.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFrotations.cpp [ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 @@ -1208,10 +1244,10 @@ cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-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 -Wformat -Werror=format-security -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/HeffDiagrams3.cpp.o -[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 +[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-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 -Wformat -Werror=format-security -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 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 @@ -1220,10 +1256,10 @@ cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o -MF CMakeFiles/chemps2-base.dir/Irreps.cpp.o.d -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Irreps.cpp -[ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 -[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o +[ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-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 -Wformat -Werror=format-security -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-i686-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 -Wformat -Werror=format-security -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 @@ -1241,9 +1277,9 @@ [ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorKM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorKM.cpp [ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorO.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorO.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorO.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorL.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorL.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorL.cpp [ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 @@ -1259,17 +1295,17 @@ [ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 -[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-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 -Wformat -Werror=format-security -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-i686-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 -Wformat -Werror=format-security -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-i686-linux-gnu' [ 65%] Built target chemps2-base make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/depend -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-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake "--color=" +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-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' @@ -1278,9 +1314,9 @@ 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-i686-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 67%] Linking CXX static library libchemps2.a -[ 67%] Linking CXX shared library libchemps2.so +[ 66%] Linking CXX shared library libchemps2.so cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 +[ 67%] Linking CXX static library libchemps2.a cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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" @@ -1296,193 +1332,193 @@ 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-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.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-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test2.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-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color=" 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-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake "--color=" make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test8.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-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend -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-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' +make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -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-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color=" +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build -make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build +make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build +[ 68%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 68%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o -[ 69%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o +[ 69%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-linux-gnu/tests/tests/test2.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-linux-gnu/tests/tests/test6.cpp -[ 70%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o -[ 71%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test10.dir/tests/test10.cpp.o -MF CMakeFiles/test10.dir/tests/test10.cpp.o.d -o CMakeFiles/test10.dir/tests/test10.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test10.cpp +[ 70%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o +[ 71%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-linux-gnu/tests/tests/test7.cpp -[ 72%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o -[ 73%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" 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tests/CMakeFiles/test14.dir/tests/test14.cpp.o -MF CMakeFiles/test14.dir/tests/test14.cpp.o.d -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test14.cpp -[ 75%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o -[ 76%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 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'/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test5.dir/link.d CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -[ 93%] Linking CXX executable test13 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test13.dir/link.txt --verbose=1 -[ 94%] Linking CXX executable test1 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 -[ 94%] Built target test5 +[ 89%] Built target test4 +make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test2.dir/link.d CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake "--color=" +[ 89%] Built target test5 +make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend +[ 89%] Built target test2 +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake "--color=" +make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 90%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test8.dir/link.d CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -L/usr/lib/libeatmydata 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-Wl,-Bdynamic -lm make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test3.dir/link.d CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 91%] Built target test8 +make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend +[ 91%] Built target test6 +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-i686-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake "--color=" +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake "--color=" +[ 92%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test12.dir/tests/test12.cpp.o -MF CMakeFiles/test12.dir/tests/test12.cpp.o.d -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test12.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 97%] Built target test2 -[ 97%] Built target test3 -[ 98%] Linking CXX executable chemps2 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 +make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build +[ 93%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-linux-gnu/tests/tests/test13.cpp /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test9.dir/link.d CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -L/usr/lib/libeatmydata 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-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-i686-linux-gnu' -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test10.dir/link.d CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test14.dir/tests/test14.cpp.o -MF CMakeFiles/test14.dir/tests/test14.cpp.o.d -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test14.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 98%] Built target test9 -[ 98%] Built target test10 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test14.dir/link.d CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 94%] Built target test9 +[ 94%] Built target test3 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test7.dir/link.d CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test11.dir/link.d CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 94%] Built target test7 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 98%] Built target test14 -[ 98%] Built target test11 -[100%] Linking CXX executable test4 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test8.dir/link.d CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 94%] Built target test1 +[ 95%] Linking CXX executable test13 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test13.dir/link.txt --verbose=1 +[ 96%] Linking CXX executable test12 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test12.dir/link.txt --verbose=1 +[ 97%] Linking CXX executable test10 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 +[ 98%] Linking CXX executable test14 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 +[100%] Linking CXX executable test11 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test13.dir/link.d CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' +[100%] Built target test13 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test12.dir/link.d CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -[100%] Built target test8 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test13.dir/link.d CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' [100%] Built target test12 -[100%] Built target test13 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test14.dir/link.d CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test7.dir/link.d CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[100%] Built target test14 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test10.dir/link.d CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -[100%] Built target test1 -[100%] Built target test7 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test4.dir/link.d CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[100%] Built target test10 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test11.dir/link.d CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -[100%] Built target test4 +[100%] Built target test11 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/chemps2-bin.dir/link.d "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' [100%] Built target chemps2-bin @@ -1538,8 +1574,8 @@ preparing documents... done copying assets... copying static files... -Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/basic.css Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/documentation_options.js +Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/basic.css Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/language_data.js Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/classic.css Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/sidebar.js @@ -1590,15 +1626,15 @@ cd obj-i686-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu Start 3: test3 -1/3 Test #3: test3 ............................ Passed 7.70 sec +1/3 Test #3: test3 ............................ Passed 8.36 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 5.79 sec +2/3 Test #5: test5 ............................ Passed 4.68 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 14.92 sec +3/3 Test #8: test8 ............................ Passed 5.85 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 28.42 sec +Total Test time (real) = 18.89 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-cpython-313:.. \ LD_LIBRARY_PATH=../../obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial \ python3 test1.py @@ -1622,178 +1658,178 @@ 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 -99.6828453787493 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (7, 8) is -106.85195017206 - Stats: nIt(DAVIDSON) = 60 -Energy at sites (6, 7) is -106.877611121423 - Stats: nIt(DAVIDSON) = 75 -Energy at sites (5, 6) is -106.906356968399 - Stats: nIt(DAVIDSON) = 39 -Energy at sites (4, 5) is -107.632223109767 - Stats: nIt(DAVIDSON) = 23 -Energy at sites (3, 4) is -107.647926883865 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -99.7462432446791 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (7, 8) is -106.852154655824 + Stats: nIt(DAVIDSON) = 68 +Energy at sites (6, 7) is -106.882868919297 + Stats: nIt(DAVIDSON) = 56 +Energy at sites (5, 6) is -106.906211469927 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (4, 5) is -107.63122115054 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (3, 4) is -107.64795359873 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647926883865 +Energy at sites (2, 3) is -107.64795359873 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647926883866 +Energy at sites (1, 2) is -107.64795359873 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.283055 seconds -*** |--> S.join = 0.016947 seconds -*** |--> S.solve = 1.144611 seconds -*** |--> S.split = 0.036428 seconds -*** |--> Tensor update = 0.084158 seconds -*** |--> create = 0.021154 seconds -*** |--> destroy = 0.001177 seconds -*** |--> disk write = 0.011844 seconds -*** |--> disk read = 0.006704 seconds -*** |--> calc = 0.043244 seconds -*** Disk write bandwidth = 49.4731837372166 MB/s -*** Disk read bandwidth = 87.7004819155308 MB/s -*** Minimum energy = -107.647926883866 +*** Elapsed wall time = 0.462415 seconds +*** |--> S.join = 0.000638 seconds +*** |--> S.solve = 0.399861 seconds +*** |--> S.split = 0.00276 seconds +*** |--> Tensor update = 0.058308 seconds +*** |--> create = 0.023977 seconds +*** |--> destroy = 0.002595 seconds +*** |--> disk write = 0.013788 seconds +*** |--> disk read = 0.009757 seconds +*** |--> calc = 0.008121 seconds +*** Disk write bandwidth = 42.4978523486796 MB/s +*** Disk read bandwidth = 60.2586892243229 MB/s +*** Minimum energy = -107.64795359873 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.647926883865 +Energy at sites (0, 1) is -107.64795359873 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647926883866 +Energy at sites (1, 2) is -107.64795359873 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647926883865 +Energy at sites (2, 3) is -107.64795359873 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.647926883866 +Energy at sites (3, 4) is -107.64795359873 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.647941248758 +Energy at sites (4, 5) is -107.647969501465 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250229205 +Energy at sites (5, 6) is -107.64825031933 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250229205 +Energy at sites (6, 7) is -107.64825031933 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250229205 +Energy at sites (7, 8) is -107.64825031933 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.170154 seconds -*** |--> S.join = 0.014328 seconds -*** |--> S.solve = 0.0647920000000001 seconds -*** |--> S.split = 0.019977 seconds -*** |--> Tensor update = 0.070826 seconds -*** |--> create = 0.020629 seconds -*** |--> destroy = 0.001292 seconds -*** |--> disk write = 0.010872 seconds -*** |--> disk read = 0.006469 seconds -*** |--> calc = 0.031536 seconds -*** Disk write bandwidth = 54.0787371929469 MB/s -*** Disk read bandwidth = 90.5797477482754 MB/s -*** Minimum energy = -107.648250229205 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250229205 +*** Elapsed wall time = 0.09727 seconds +*** |--> S.join = 0.005985 seconds +*** |--> S.solve = 0.033018 seconds +*** |--> S.split = 0.00249 seconds +*** |--> Tensor update = 0.055008 seconds +*** |--> create = 0.024063 seconds +*** |--> destroy = 0.002841 seconds +*** |--> disk write = 0.013247 seconds +*** |--> disk read = 0.010132 seconds +*** |--> calc = 0.004656 seconds +*** Disk write bandwidth = 44.3831834197719 MB/s +*** Disk read bandwidth = 57.8326478665213 MB/s +*** Minimum energy = -107.64825031933 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.64825031933 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250229205 +Energy at sites (8, 9) is -107.64825031933 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250229205 +Energy at sites (7, 8) is -107.64825031933 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250229205 +Energy at sites (6, 7) is -107.64825031933 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250229205 +Energy at sites (5, 6) is -107.64825031933 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.648250870074 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.648250971645 +Energy at sites (4, 5) is -107.648250874811 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.648250971848 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250971645 +Energy at sites (2, 3) is -107.648250971848 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250971645 +Energy at sites (1, 2) is -107.648250971848 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.313366 seconds -*** |--> S.join = 0.014857 seconds -*** |--> S.solve = 0.171588 seconds -*** |--> S.split = 0.038493 seconds -*** |--> Tensor update = 0.088275 seconds -*** |--> create = 0.021344 seconds -*** |--> destroy = 0.001261 seconds -*** |--> disk write = 0.011219 seconds -*** |--> disk read = 0.006361 seconds -*** |--> calc = 0.048059 seconds -*** Disk write bandwidth = 52.2292885447539 MB/s -*** Disk read bandwidth = 92.4294970541925 MB/s -*** Minimum energy = -107.648250971645 +*** Elapsed wall time = 0.113369 seconds +*** |--> S.join = 0.014145 seconds +*** |--> S.solve = 0.033886 seconds +*** |--> S.split = 0.002435 seconds +*** |--> Tensor update = 0.06216 seconds +*** |--> create = 0.023801 seconds +*** |--> destroy = 0.002772 seconds +*** |--> disk write = 0.012764 seconds +*** |--> disk read = 0.009897 seconds +*** |--> calc = 0.012862 seconds +*** Disk write bandwidth = 45.907269522375 MB/s +*** Disk read bandwidth = 59.4062878409335 MB/s +*** Minimum energy = -107.648250971848 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250971645 +Energy at sites (0, 1) is -107.648250971848 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250971645 +Energy at sites (1, 2) is -107.648250971848 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250971645 +Energy at sites (2, 3) is -107.648250971848 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250971645 +Energy at sites (3, 4) is -107.648250971848 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.648250971749 +Energy at sites (4, 5) is -107.648250971927 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.648250973994 +Energy at sites (5, 6) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250973994 +Energy at sites (6, 7) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250973994 +Energy at sites (7, 8) is -107.648250973999 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.285601 seconds -*** |--> S.join = 0.014814 seconds -*** |--> S.solve = 0.125496 seconds -*** |--> S.split = 0.044568 seconds -*** |--> Tensor update = 0.100463 seconds -*** |--> create = 0.021522 seconds -*** |--> destroy = 0.001237 seconds -*** |--> disk write = 0.012328 seconds -*** |--> disk read = 0.006543 seconds -*** |--> calc = 0.058802 seconds -*** Disk write bandwidth = 47.6917610935852 MB/s -*** Disk read bandwidth = 89.5553092134485 MB/s -*** Minimum energy = -107.648250973994 +*** Elapsed wall time = 0.097572 seconds +*** |--> S.join = 0.020275 seconds +*** |--> S.solve = 0.017877 seconds +*** |--> S.split = 0.002404 seconds +*** |--> Tensor update = 0.056271 seconds +*** |--> create = 0.023423 seconds +*** |--> destroy = 0.002787 seconds +*** |--> disk write = 0.012681 seconds +*** |--> disk read = 0.010304 seconds +*** |--> calc = 0.007004 seconds +*** Disk write bandwidth = 46.3641692896238 MB/s +*** Disk read bandwidth = 56.8672736979419 MB/s +*** Minimum energy = -107.648250973999 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 7.44788877682367e-07 +*** Energy difference with respect to previous leftright sweep = 6.54669236155314e-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 = -107.648250973994 -*** Minimum energy encountered during the last sweep = -107.648250973994 +*** Minimum energy encountered during all instructions = -107.648250973999 +*** Minimum energy encountered during the last sweep = -107.648250973999 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 -Energy at sites (8, 9) is -107.648250973996 +Energy at sites (8, 9) is -107.648250974 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.648250973997 +Energy at sites (7, 8) is -107.648250974001 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250974 +Energy at sites (6, 7) is -107.648250974004 Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.648250974 +Energy at sites (5, 6) is -107.648250974004 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974006 +Energy at sites (4, 5) is -107.648250974009 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250974013 +Energy at sites (2, 3) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.751966 seconds -*** |--> S.join = 0.01819 seconds -*** |--> S.solve = 0.344951 seconds -*** |--> S.split = 0.044423 seconds -*** |--> Tensor update = 0.34365 seconds -*** |--> create = 0.022933 seconds -*** |--> destroy = 0.001192 seconds -*** |--> disk write = 0.262521 seconds -*** |--> disk read = 0.008381 seconds -*** |--> calc = 0.048584 seconds -*** Disk write bandwidth = 2.23205148610433 MB/s -*** Disk read bandwidth = 70.1520141703518 MB/s -*** Minimum energy = -107.648250974013 +*** Elapsed wall time = 0.159789 seconds +*** |--> S.join = 0.015083 seconds +*** |--> S.solve = 0.076618 seconds +*** |--> S.split = 0.002497 seconds +*** |--> Tensor update = 0.064877 seconds +*** |--> create = 0.023442 seconds +*** |--> destroy = 0.002711 seconds +*** |--> disk write = 0.012922 seconds +*** |--> disk read = 0.010433 seconds +*** |--> calc = 0.015292 seconds +*** Disk write bandwidth = 45.3459517244694 MB/s +*** Disk read bandwidth = 56.3542634680072 MB/s +*** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 @@ -1801,7 +1837,7 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250974013 +Energy at sites (2, 3) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 @@ -1814,21 +1850,21 @@ Energy at sites (7, 8) is -107.648250974014 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.487787 seconds -*** |--> S.join = 0.016591 seconds -*** |--> S.solve = 0.264867 seconds -*** |--> S.split = 0.070698 seconds -*** |--> Tensor update = 0.134817 seconds -*** |--> create = 0.021439 seconds -*** |--> destroy = 0.001318 seconds -*** |--> disk write = 0.011797 seconds -*** |--> disk read = 0.006603 seconds -*** |--> calc = 0.093619 seconds -*** Disk write bandwidth = 49.8384361076307 MB/s -*** Disk read bandwidth = 88.7415399339079 MB/s +*** Elapsed wall time = 0.30316 seconds +*** |--> S.join = 0.028722 seconds +*** |--> S.solve = 0.131657 seconds +*** |--> S.split = 0.035023 seconds +*** |--> Tensor update = 0.106982 seconds +*** |--> create = 0.02375 seconds +*** |--> destroy = 0.002693 seconds +*** |--> disk write = 0.013885 seconds +*** |--> disk read = 0.010443 seconds +*** |--> calc = 0.056131 seconds +*** Disk write bandwidth = 42.3438264862599 MB/s +*** Disk read bandwidth = 56.1103503000664 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.98951966012828e-11 +*** Energy difference with respect to previous leftright sweep = 1.40971678774804e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1842,54 +1878,54 @@ ******************************************** 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 , 1.99487994124924 , 1.98267954064353 ]. - NOON of irrep B2g = [ 0.0748715522396103 ]. - NOON of irrep B3g = [ 0.0748715522749104 ]. - NOON of irrep B1u = [ 1.9999968183922 , 1.98658242717678 , 0.018807971246005 ]. - NOON of irrep B2u = [ 1.93365744620166 ]. - NOON of irrep B3u = [ 1.93365744613325 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009426416415 , 0.0515866772714123 , 0.0764971091761531 , 0.257716818825321 , 0.25771681889807 , 8.47155299862511e-05 , 0.0462800402748646 , 0.100736303644097 , 0.241506019575085 , 0.241506019701631 ]. - Idistance(0) = 1.30939331185574 - Idistance(1) = 5.42402999479575 - Idistance(2) = 26.7355487977214 + Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 + NOON of irrep Ag = [ 1.99999530444297 , 1.9948799412468 , 1.98267954066732 ]. + NOON of irrep B2g = [ 0.0748715523041986 ]. + NOON of irrep B3g = [ 0.0748715522053413 ]. + NOON of irrep B1u = [ 1.9999968183922 , 1.98658242715959 , 0.0188079712652129 ]. + NOON of irrep B2u = [ 1.93365744615763 ]. + NOON of irrep B3u = [ 1.93365744615875 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009425733348 , 0.0515866770444994 , 0.0764971089857392 , 0.257716818930039 , 0.257716818794932 , 8.47155300195045e-05 , 0.0462800403401114 , 0.100736303651013 , 0.241506019685683 , 0.241506019637607 ]. + Idistance(0) = 1.30939331132054 + Idistance(1) = 5.42402999258739 + Idistance(2) = 26.7355487841854 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.262272 seconds -*** |--> MPS gauge change = 0.065902 seconds -*** |--> Diagram calc = 0.016727 seconds -*** |--> Tensor update = 0.178017 seconds -*** |--> create = 0.048644 seconds -*** |--> destroy = 0.002898 seconds -*** |--> disk write = 0.025167 seconds -*** |--> disk read = 0.015847 seconds -*** |--> calc = 0.085338 seconds -*** Disk write bandwidth = 47.3090973003461 MB/s -*** Disk read bandwidth = 75.1327097720586 MB/s +*** Elapsed wall time = 0.230517 seconds +*** |--> MPS gauge change = 0.028017 seconds +*** |--> Diagram calc = 0.046179 seconds +*** |--> Tensor update = 0.154018 seconds +*** |--> create = 0.057168 seconds +*** |--> destroy = 0.005365 seconds +*** |--> disk write = 0.031465 seconds +*** |--> disk read = 0.026674 seconds +*** |--> calc = 0.032986 seconds +*** Disk write bandwidth = 37.8397601067158 MB/s +*** Disk read bandwidth = 44.6362769647527 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 = 0.01224 seconds -FCI::matvec : Wall time = 0.016692 seconds -FCI::matvec : Wall time = 0.015666 seconds -FCI::matvec : Wall time = 0.041441 seconds -FCI::matvec : Wall time = 0.013392 seconds -FCI::matvec : Wall time = 0.012387 seconds -FCI::matvec : Wall time = 0.030361 seconds -FCI::matvec : Wall time = 0.014371 seconds -FCI::matvec : Wall time = 0.013761 seconds -FCI::matvec : Wall time = 0.016321 seconds -FCI::matvec : Wall time = 0.02219 seconds -FCI::matvec : Wall time = 0.050511 seconds -FCI::matvec : Wall time = 0.019705 seconds -FCI::matvec : Wall time = 0.043544 seconds -FCI::matvec : Wall time = 0.013696 seconds -FCI::matvec : Wall time = 0.020419 seconds -FCI::matvec : Wall time = 0.01643 seconds -FCI::matvec : Wall time = 0.071887 seconds +FCI::matvec : Wall time = 0.035576 seconds +FCI::matvec : Wall time = 0.203262 seconds +FCI::matvec : Wall time = 0.191004 seconds +FCI::matvec : Wall time = 0.039966 seconds +FCI::matvec : Wall time = 0.231822 seconds +FCI::matvec : Wall time = 0.704358 seconds +FCI::matvec : Wall time = 0.0327 seconds +FCI::matvec : Wall time = 0.032703 seconds +FCI::matvec : Wall time = 0.039564 seconds +FCI::matvec : Wall time = 0.020464 seconds +FCI::matvec : Wall time = 0.040626 seconds +FCI::matvec : Wall time = 0.040488 seconds +FCI::matvec : Wall time = 0.024755 seconds +FCI::matvec : Wall time = 0.110789 seconds +FCI::matvec : Wall time = 0.039342 seconds +FCI::matvec : Wall time = 0.040187 seconds +FCI::matvec : Wall time = 0.047447 seconds +FCI::matvec : Wall time = 0.040206 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974014 -FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.05134898297818e-18 and intended S(S+1) = 0 +FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.50270693496855e-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 @@ -1909,177 +1945,177 @@ 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) = 12 -Energy at sites (8, 9) is -100.895389007726 - Stats: nIt(DAVIDSON) = 28 -Energy at sites (7, 8) is -106.336078085652 - Stats: nIt(DAVIDSON) = 40 -Energy at sites (6, 7) is -106.383117804545 - Stats: nIt(DAVIDSON) = 63 -Energy at sites (5, 6) is -107.317964210117 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (8, 9) is -104.425909452925 + Stats: nIt(DAVIDSON) = 45 +Energy at sites (7, 8) is -105.554674717679 Stats: nIt(DAVIDSON) = 52 -Energy at sites (4, 5) is -107.325596461179 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (3, 4) is -107.328763309151 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.328764693172 +Energy at sites (6, 7) is -106.748959713381 + Stats: nIt(DAVIDSON) = 58 +Energy at sites (5, 6) is -107.317939546187 + Stats: nIt(DAVIDSON) = 46 +Energy at sites (4, 5) is -107.325601840662 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (3, 4) is -107.328763052754 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -107.328764667277 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764693172 +Energy at sites (1, 2) is -107.328764667277 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.94904 seconds -*** |--> S.join = 0.016268 seconds -*** |--> S.solve = 0.86121 seconds -*** |--> S.split = 0.002559 seconds -*** |--> Tensor update = 0.068212 seconds -*** |--> create = 0.024048 seconds -*** |--> destroy = 0.001208 seconds -*** |--> disk write = 0.012188 seconds -*** |--> disk read = 0.006623 seconds -*** |--> calc = 0.024102 seconds -*** Disk write bandwidth = 69.3161917155322 MB/s -*** Disk read bandwidth = 127.012197225813 MB/s -*** Minimum energy = -107.328764693172 +*** Elapsed wall time = 0.654643 seconds +*** |--> S.join = 0.005545 seconds +*** |--> S.solve = 0.571704 seconds +*** |--> S.split = 0.007119 seconds +*** |--> Tensor update = 0.069464 seconds +*** |--> create = 0.02764 seconds +*** |--> destroy = 0.002875 seconds +*** |--> disk write = 0.014671 seconds +*** |--> disk read = 0.010606 seconds +*** |--> calc = 0.013607 seconds +*** Disk write bandwidth = 57.5847416419403 MB/s +*** Disk read bandwidth = 79.3137641171566 MB/s +*** Minimum energy = -107.328764667277 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328764693172 +Energy at sites (0, 1) is -107.328764667277 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764693172 +Energy at sites (1, 2) is -107.328764667277 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328764693172 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.328764694584 +Energy at sites (2, 3) is -107.328764667277 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.328764669227 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328767020912 +Energy at sites (4, 5) is -107.328766935055 Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.328768891538 +Energy at sites (5, 6) is -107.328768891847 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891538 +Energy at sites (6, 7) is -107.328768891847 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891538 +Energy at sites (7, 8) is -107.328768891847 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.1949 seconds -*** |--> S.join = 0.012111 seconds -*** |--> S.solve = 0.104379 seconds -*** |--> S.split = 0.016106 seconds -*** |--> Tensor update = 0.061897 seconds -*** |--> create = 0.024407 seconds -*** |--> destroy = 0.001228 seconds -*** |--> disk write = 0.011842 seconds -*** |--> disk read = 0.00659 seconds -*** |--> calc = 0.017798 seconds -*** Disk write bandwidth = 71.0354485920083 MB/s -*** Disk read bandwidth = 128.198140307877 MB/s -*** Minimum energy = -107.328768891538 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768891538 +*** Elapsed wall time = 0.110852 seconds +*** |--> S.join = 0.000726 seconds +*** |--> S.solve = 0.044727 seconds +*** |--> S.split = 0.00284 seconds +*** |--> Tensor update = 0.061797 seconds +*** |--> create = 0.027858 seconds +*** |--> destroy = 0.002803 seconds +*** |--> disk write = 0.01369 seconds +*** |--> disk read = 0.0108 seconds +*** |--> calc = 0.006582 seconds +*** Disk write bandwidth = 61.4464413605962 MB/s +*** Disk read bandwidth = 78.224605984158 MB/s +*** Minimum energy = -107.328768891847 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.328768891847 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768891538 +Energy at sites (8, 9) is -107.328768891847 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891538 +Energy at sites (7, 8) is -107.328768891847 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891538 +Energy at sites (6, 7) is -107.328768891847 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768891538 +Energy at sites (5, 6) is -107.328768891847 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768891998 +Energy at sites (4, 5) is -107.328768892263 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.328768897978 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (2, 3) is -107.328768897993 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897978 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897978 +Energy at sites (1, 2) is -107.328768897993 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.084957 seconds -*** |--> S.join = 0.010595 seconds -*** |--> S.solve = 0.016621 seconds -*** |--> S.split = 0.002352 seconds -*** |--> Tensor update = 0.054682 seconds -*** |--> create = 0.024002 seconds -*** |--> destroy = 0.001375 seconds -*** |--> disk write = 0.011452 seconds -*** |--> disk read = 0.00652 seconds -*** |--> calc = 0.011299 seconds -*** Disk write bandwidth = 73.7710220598067 MB/s -*** Disk read bandwidth = 129.018678255608 MB/s -*** Minimum energy = -107.328768897978 +*** Elapsed wall time = 0.134038 seconds +*** |--> S.join = 0.021325 seconds +*** |--> S.solve = 0.032294 seconds +*** |--> S.split = 0.002801 seconds +*** |--> Tensor update = 0.076862 seconds +*** |--> create = 0.027955 seconds +*** |--> destroy = 0.002828 seconds +*** |--> disk write = 0.014461 seconds +*** |--> disk read = 0.010487 seconds +*** |--> calc = 0.021062 seconds +*** Disk write bandwidth = 58.4209767394306 MB/s +*** Disk read bandwidth = 80.21376773401 MB/s +*** Minimum energy = -107.328768897993 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897978 +Energy at sites (0, 1) is -107.328768897993 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897978 +Energy at sites (1, 2) is -107.328768897993 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897978 +Energy at sites (2, 3) is -107.328768897993 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897978 +Energy at sites (3, 4) is -107.328768897993 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.328768898014 +Energy at sites (4, 5) is -107.32876889802 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768898014 +Energy at sites (5, 6) is -107.32876889802 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898014 +Energy at sites (6, 7) is -107.32876889802 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768898014 +Energy at sites (7, 8) is -107.32876889802 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.174656 seconds -*** |--> S.join = 0.010838 seconds -*** |--> S.solve = 0.06759 seconds -*** |--> S.split = 0.026094 seconds -*** |--> Tensor update = 0.069373 seconds -*** |--> create = 0.024508 seconds -*** |--> destroy = 0.001213 seconds -*** |--> disk write = 0.011426 seconds -*** |--> disk read = 0.006444 seconds -*** |--> calc = 0.025748 seconds -*** Disk write bandwidth = 73.6217208320111 MB/s -*** Disk read bandwidth = 131.102691593561 MB/s -*** Minimum energy = -107.328768898014 +*** Elapsed wall time = 0.150657 seconds +*** |--> S.join = 0.006614 seconds +*** |--> S.solve = 0.044991 seconds +*** |--> S.split = 0.034373 seconds +*** |--> Tensor update = 0.063907 seconds +*** |--> create = 0.028159 seconds +*** |--> destroy = 0.00289 seconds +*** |--> disk write = 0.01391 seconds +*** |--> disk read = 0.010423 seconds +*** |--> calc = 0.008458 seconds +*** Disk write bandwidth = 60.4746069177975 MB/s +*** Disk read bandwidth = 81.0539906580549 MB/s +*** Minimum energy = -107.32876889802 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.47617071081186e-09 +*** Energy difference with respect to previous leftright sweep = 6.17262685409514e-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 = -107.328768898014 -*** Minimum energy encountered during the last sweep = -107.328768898014 +*** Minimum energy encountered during all instructions = -107.32876889802 +*** Minimum energy encountered during the last sweep = -107.32876889802 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.328768898016 +Energy at sites (8, 9) is -107.328768898021 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.328768898022 +Energy at sites (7, 8) is -107.328768898027 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.328768898029 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.328768898029 +Energy at sites (6, 7) is -107.328768898032 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.32876889803 - Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -107.328768898032 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -107.328768898032 + Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.328768898032 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.243197 seconds -*** |--> S.join = 0.011293 seconds -*** |--> S.solve = 0.169368 seconds -*** |--> S.split = 0.002958 seconds -*** |--> Tensor update = 0.05942 seconds -*** |--> create = 0.024141 seconds -*** |--> destroy = 0.001307 seconds -*** |--> disk write = 0.012153 seconds -*** |--> disk read = 0.006599 seconds -*** |--> calc = 0.015187 seconds -*** Disk write bandwidth = 69.515818697351 MB/s -*** Disk read bandwidth = 127.474129750957 MB/s +*** Elapsed wall time = 0.318815 seconds +*** |--> S.join = 0.000763 seconds +*** |--> S.solve = 0.245775 seconds +*** |--> S.split = 0.010716 seconds +*** |--> Tensor update = 0.060779 seconds +*** |--> create = 0.027089 seconds +*** |--> destroy = 0.002888 seconds +*** |--> disk write = 0.014114 seconds +*** |--> disk read = 0.010837 seconds +*** |--> calc = 0.005766 seconds +*** Disk write bandwidth = 59.857286710281 MB/s +*** Disk read bandwidth = 77.623122840875 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -2089,11 +2125,11 @@ Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -107.328768898033 + Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328768898033 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898033 @@ -2101,21 +2137,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.204403 seconds -*** |--> S.join = 0.008215 seconds -*** |--> S.solve = 0.119882 seconds -*** |--> S.split = 0.013141 seconds -*** |--> Tensor update = 0.06299 seconds -*** |--> create = 0.024289 seconds -*** |--> destroy = 0.001262 seconds -*** |--> disk write = 0.012632 seconds -*** |--> disk read = 0.006738 seconds -*** |--> calc = 0.018035 seconds -*** Disk write bandwidth = 66.5929213288919 MB/s -*** Disk read bandwidth = 125.382271390458 MB/s +*** Elapsed wall time = 0.119924 seconds +*** |--> S.join = 0.000903 seconds +*** |--> S.solve = 0.049253 seconds +*** |--> S.split = 0.002948 seconds +*** |--> Tensor update = 0.066041 seconds +*** |--> create = 0.027842 seconds +*** |--> destroy = 0.002899 seconds +*** |--> disk write = 0.01321 seconds +*** |--> disk read = 0.010412 seconds +*** |--> calc = 0.011611 seconds +*** Disk write bandwidth = 63.6791659520486 MB/s +*** Disk read bandwidth = 81.1396220350467 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.8360424292041e-11 +*** Energy difference with respect to previous leftright sweep = 1.28466126625426e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2130,50 +2166,50 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 - NOON of irrep Ag = [ 1.99999672241166 , 1.99571463011548 , 1.98497373608242 ]. - NOON of irrep B2g = [ 0.538989905180748 ]. - NOON of irrep B3g = [ 0.538989904900489 ]. - NOON of irrep B1u = [ 1.99999702947242 , 1.99149890562947 , 0.0194690668292564 ]. - NOON of irrep B2u = [ 1.46518504983043 ]. - NOON of irrep B3u = [ 1.46518504954763 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862735528467 , 0.0587089374925683 , 0.0554792807929579 , 1.11957630010935 , 1.11957629995862 , 8.52797484388311e-05 , 0.0421718621052098 , 0.105000352878041 , 1.11261995844809 , 1.11261995860257 ]. - Idistance(0) = 4.60188108175708 - Idistance(1) = 17.7825010802424 - Idistance(2) = 85.6947708280033 + NOON of irrep Ag = [ 1.99999672241069 , 1.99571463016118 , 1.98497373602806 ]. + NOON of irrep B2g = [ 0.538989905090524 ]. + NOON of irrep B3g = [ 0.538989904986484 ]. + NOON of irrep B1u = [ 1.99999702947247 , 1.99149890562486 , 0.0194690668449085 ]. + NOON of irrep B2u = [ 1.46518504974272 ]. + NOON of irrep B3u = [ 1.4651850496381 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862740195014 , 0.0587089373877896 , 0.0554792810507935 , 1.11957630006176 , 1.11957630000648 , 8.52797482461965e-05 , 0.042171862140589 , 0.105000352915724 , 1.11261995849878 , 1.1126199585548 ]. + Idistance(0) = 4.60188108192897 + Idistance(1) = 17.7825010796363 + Idistance(2) = 85.6947708204319 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.183234 seconds -*** |--> MPS gauge change = 0.029996 seconds -*** |--> Diagram calc = 0.016393 seconds -*** |--> Tensor update = 0.135659 seconds -*** |--> create = 0.056924 seconds -*** |--> destroy = 0.003046 seconds -*** |--> disk write = 0.026137 seconds -*** |--> disk read = 0.01579 seconds -*** |--> calc = 0.033629 seconds -*** Disk write bandwidth = 65.5371324467888 MB/s -*** Disk read bandwidth = 108.482839186936 MB/s +*** Elapsed wall time = 0.238377 seconds +*** |--> MPS gauge change = 0.044332 seconds +*** |--> Diagram calc = 0.035889 seconds +*** |--> Tensor update = 0.155735 seconds +*** |--> create = 0.065986 seconds +*** |--> destroy = 0.005326 seconds +*** |--> disk write = 0.032202 seconds +*** |--> disk read = 0.024481 seconds +*** |--> calc = 0.027428 seconds +*** Disk write bandwidth = 53.1937156313806 MB/s +*** Disk read bandwidth = 69.9703456052334 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 = 0.021888 seconds -FCI::matvec : Wall time = 0.019563 seconds -FCI::matvec : Wall time = 0.011631 seconds -FCI::matvec : Wall time = 0.013088 seconds -FCI::matvec : Wall time = 0.058065 seconds -FCI::matvec : Wall time = 0.014096 seconds -FCI::matvec : Wall time = 0.014361 seconds -FCI::matvec : Wall time = 0.014697 seconds -FCI::matvec : Wall time = 0.018198 seconds -FCI::matvec : Wall time = 0.013352 seconds -FCI::matvec : Wall time = 0.019149 seconds -FCI::matvec : Wall time = 0.014467 seconds -FCI::matvec : Wall time = 0.034895 seconds -FCI::matvec : Wall time = 0.014884 seconds -FCI::matvec : Wall time = 0.01446 seconds -FCI::matvec : Wall time = 0.014505 seconds -FCI::matvec : Wall time = 0.014965 seconds +FCI::matvec : Wall time = 0.020637 seconds +FCI::matvec : Wall time = 0.019306 seconds +FCI::matvec : Wall time = 0.019046 seconds +FCI::matvec : Wall time = 0.018657 seconds +FCI::matvec : Wall time = 0.018747 seconds +FCI::matvec : Wall time = 0.019132 seconds +FCI::matvec : Wall time = 0.019213 seconds +FCI::matvec : Wall time = 0.032125 seconds +FCI::matvec : Wall time = 0.034505 seconds +FCI::matvec : Wall time = 0.067525 seconds +FCI::matvec : Wall time = 0.119335 seconds +FCI::matvec : Wall time = 0.058207 seconds +FCI::matvec : Wall time = 0.063872 seconds +FCI::matvec : Wall time = 0.063392 seconds +FCI::matvec : Wall time = 0.03551 seconds +FCI::matvec : Wall time = 0.048655 seconds +FCI::matvec : Wall time = 0.023176 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898032 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 @@ -2195,177 +2231,177 @@ 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) = 11 -Energy at sites (8, 9) is -103.979109854095 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (7, 8) is -105.669558146583 - Stats: nIt(DAVIDSON) = 27 -Energy at sites (6, 7) is -106.994496432095 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (5, 6) is -106.994852558359 - Stats: nIt(DAVIDSON) = 20 -Energy at sites (4, 5) is -106.997036640773 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (3, 4) is -106.999345060003 Stats: nIt(DAVIDSON) = 13 -Energy at sites (2, 3) is -107.007876909537 +Energy at sites (8, 9) is -103.519741586301 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (7, 8) is -105.669912900988 + Stats: nIt(DAVIDSON) = 31 +Energy at sites (6, 7) is -106.994475719914 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -106.994677979219 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (4, 5) is -106.996816864079 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (3, 4) is -106.999357714355 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (2, 3) is -107.007870824227 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007876909537 +Energy at sites (1, 2) is -107.007870824227 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.122019 seconds -*** |--> S.join = 0.009041 seconds -*** |--> S.solve = 0.071841 seconds -*** |--> S.split = 0.001643 seconds -*** |--> Tensor update = 0.039348 seconds -*** |--> create = 0.019875 seconds -*** |--> destroy = 0.001218 seconds -*** |--> disk write = 0.009909 seconds -*** |--> disk read = 0.006262 seconds -*** |--> calc = 0.002055 seconds -*** Disk write bandwidth = 19.7083067732774 MB/s -*** Disk read bandwidth = 31.0134522186153 MB/s -*** Minimum energy = -107.007876909537 +*** Elapsed wall time = 0.196404 seconds +*** |--> S.join = 0.00615 seconds +*** |--> S.solve = 0.132869 seconds +*** |--> S.split = 0.006047 seconds +*** |--> Tensor update = 0.050594 seconds +*** |--> create = 0.021479 seconds +*** |--> destroy = 0.002797 seconds +*** |--> disk write = 0.011624 seconds +*** |--> disk read = 0.009586 seconds +*** |--> calc = 0.005039 seconds +*** Disk write bandwidth = 16.8005516015491 MB/s +*** Disk read bandwidth = 20.2593613387199 MB/s +*** Minimum energy = -107.007870824227 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007876909537 +Energy at sites (0, 1) is -107.007870824227 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007876909537 +Energy at sites (1, 2) is -107.007870824227 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007876909537 +Energy at sites (2, 3) is -107.007870824227 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007877299338 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -107.007880725794 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -107.00792033159 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.00792033159 +Energy at sites (3, 4) is -107.007871206218 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -107.007873890275 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (5, 6) is -107.007920344228 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -107.00792034439 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.00792033159 +Energy at sites (7, 8) is -107.00792034439 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.095244 seconds -*** |--> S.join = 0.010526 seconds -*** |--> S.solve = 0.041795 seconds -*** |--> S.split = 0.001577 seconds -*** |--> Tensor update = 0.041206 seconds -*** |--> create = 0.019817 seconds -*** |--> destroy = 0.001262 seconds -*** |--> disk write = 0.010363 seconds -*** |--> disk read = 0.006489 seconds -*** |--> calc = 0.003252 seconds -*** Disk write bandwidth = 18.7403491067228 MB/s -*** Disk read bandwidth = 30.0954864873488 MB/s -*** Minimum energy = -107.00792033159 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.00792033159 +*** Elapsed wall time = 0.087884 seconds +*** |--> S.join = 0.001063 seconds +*** |--> S.solve = 0.03195 seconds +*** |--> S.split = 0.001762 seconds +*** |--> Tensor update = 0.052298 seconds +*** |--> create = 0.022155 seconds +*** |--> destroy = 0.003035 seconds +*** |--> disk write = 0.01171 seconds +*** |--> disk read = 0.010292 seconds +*** |--> calc = 0.005049 seconds +*** Disk write bandwidth = 16.5846488294593 MB/s +*** Disk read bandwidth = 18.9748942689862 MB/s +*** Minimum energy = -107.00792034439 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.00792034439 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.00792033159 +Energy at sites (8, 9) is -107.00792034439 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.00792033159 +Energy at sites (7, 8) is -107.00792034439 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.00792033159 +Energy at sites (6, 7) is -107.00792034439 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.00792033159 +Energy at sites (5, 6) is -107.00792034439 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920345524 +Energy at sites (4, 5) is -107.00792036367 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.00792040286 +Energy at sites (3, 4) is -107.007920419396 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.007920596637 +Energy at sites (2, 3) is -107.007920596913 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596637 +Energy at sites (1, 2) is -107.007920596913 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.179667 seconds -*** |--> S.join = 0.009577 seconds -*** |--> S.solve = 0.098959 seconds -*** |--> S.split = 0.018611 seconds -*** |--> Tensor update = 0.052374 seconds -*** |--> create = 0.019781 seconds -*** |--> destroy = 0.001229 seconds -*** |--> disk write = 0.010382 seconds -*** |--> disk read = 0.006342 seconds -*** |--> calc = 0.014612 seconds -*** Disk write bandwidth = 18.8104037580819 MB/s -*** Disk read bandwidth = 30.6222386933095 MB/s -*** Minimum energy = -107.007920596637 +*** Elapsed wall time = 0.180391 seconds +*** |--> S.join = 0.00366 seconds +*** |--> S.solve = 0.124606 seconds +*** |--> S.split = 0.001856 seconds +*** |--> Tensor update = 0.0495 seconds +*** |--> create = 0.021873 seconds +*** |--> destroy = 0.002876 seconds +*** |--> disk write = 0.012072 seconds +*** |--> disk read = 0.009796 seconds +*** |--> calc = 0.002775 seconds +*** Disk write bandwidth = 16.1770718867136 MB/s +*** Disk read bandwidth = 19.8250548992414 MB/s +*** Minimum energy = -107.007920596913 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596637 +Energy at sites (0, 1) is -107.007920596913 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596637 +Energy at sites (1, 2) is -107.007920596913 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596636 +Energy at sites (2, 3) is -107.007920596912 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.007920596756 +Energy at sites (3, 4) is -107.007920597024 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920596784 +Energy at sites (4, 5) is -107.007920597057 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.00792059938 +Energy at sites (5, 6) is -107.007920599399 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.00792059938 +Energy at sites (6, 7) is -107.007920599399 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.00792059938 +Energy at sites (7, 8) is -107.007920599399 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.059666 seconds -*** |--> S.join = 0.009093 seconds -*** |--> S.solve = 0.008896 seconds -*** |--> S.split = 0.00165 seconds -*** |--> Tensor update = 0.039889 seconds -*** |--> create = 0.019829 seconds -*** |--> destroy = 0.001222 seconds -*** |--> disk write = 0.010203 seconds -*** |--> disk read = 0.006469 seconds -*** |--> calc = 0.002142 seconds -*** Disk write bandwidth = 19.0342289319777 MB/s -*** Disk read bandwidth = 30.1885317385077 MB/s -*** Minimum energy = -107.00792059938 +*** Elapsed wall time = 0.062859 seconds +*** |--> S.join = 0.000492 seconds +*** |--> S.solve = 0.010656 seconds +*** |--> S.split = 0.001795 seconds +*** |--> Tensor update = 0.049159 seconds +*** |--> create = 0.021853 seconds +*** |--> destroy = 0.002905 seconds +*** |--> disk write = 0.011768 seconds +*** |--> disk read = 0.009849 seconds +*** |--> calc = 0.002724 seconds +*** Disk write bandwidth = 16.502909397771 MB/s +*** Disk read bandwidth = 19.8283695620272 MB/s +*** Minimum energy = -107.007920599399 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.67790511543353e-07 +*** Energy difference with respect to previous leftright sweep = 2.55008529848055e-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 = -107.00792059938 -*** Minimum energy encountered during the last sweep = -107.00792059938 +*** Minimum energy encountered during all instructions = -107.007920599399 +*** Minimum energy encountered during the last sweep = -107.007920599399 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.007920599393 +Energy at sites (8, 9) is -107.0079205994 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599395 +Energy at sites (7, 8) is -107.007920599402 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.007920599398 +Energy at sites (6, 7) is -107.007920599404 Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -107.007920599398 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.007920599398 +Energy at sites (5, 6) is -107.007920599404 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -107.007920599404 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599399 +Energy at sites (3, 4) is -107.007920599405 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 = 0.189778 seconds -*** |--> S.join = 0.014213 seconds -*** |--> S.solve = 0.113082 seconds -*** |--> S.split = 0.010237 seconds -*** |--> Tensor update = 0.051749 seconds -*** |--> create = 0.018903 seconds -*** |--> destroy = 0.001211 seconds -*** |--> disk write = 0.010118 seconds -*** |--> disk read = 0.006384 seconds -*** |--> calc = 0.015097 seconds -*** Disk write bandwidth = 19.3012069397516 MB/s -*** Disk read bandwidth = 30.420776596643 MB/s +*** Elapsed wall time = 0.113668 seconds +*** |--> S.join = 0.001554 seconds +*** |--> S.solve = 0.059494 seconds +*** |--> S.split = 0.00191 seconds +*** |--> Tensor update = 0.04997 seconds +*** |--> create = 0.021296 seconds +*** |--> destroy = 0.002939 seconds +*** |--> disk write = 0.011997 seconds +*** |--> disk read = 0.00992 seconds +*** |--> calc = 0.003754 seconds +*** Disk write bandwidth = 16.2782038690011 MB/s +*** Disk read bandwidth = 19.5772417130009 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2377,7 +2413,7 @@ Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 @@ -2387,21 +2423,21 @@ Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.123029 seconds -*** |--> S.join = 0.011197 seconds -*** |--> S.solve = 0.065167 seconds -*** |--> S.split = 0.002062 seconds -*** |--> Tensor update = 0.044162 seconds -*** |--> create = 0.019864 seconds -*** |--> destroy = 0.00121 seconds -*** |--> disk write = 0.010417 seconds -*** |--> disk read = 0.006516 seconds -*** |--> calc = 0.00612 seconds -*** Disk write bandwidth = 18.6432022456531 MB/s -*** Disk read bandwidth = 29.9707814328432 MB/s +*** Elapsed wall time = 0.156032 seconds +*** |--> S.join = 0.021969 seconds +*** |--> S.solve = 0.072126 seconds +*** |--> S.split = 0.00191 seconds +*** |--> Tensor update = 0.059289 seconds +*** |--> create = 0.022289 seconds +*** |--> destroy = 0.00289 seconds +*** |--> disk write = 0.011644 seconds +*** |--> disk read = 0.009828 seconds +*** |--> calc = 0.01257 seconds +*** Disk write bandwidth = 16.6786531941746 MB/s +*** Disk read bandwidth = 19.8707378730572 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.85771431360627e-11 +*** Energy difference with respect to previous leftright sweep = 3.97903932025656e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2415,46 +2451,46 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599438 - NOON of irrep Ag = [ 1.99999761728787 , 1.99817458702864 , 1.99099529635278 ]. - NOON of irrep B2g = [ 0.999157311018239 ]. - NOON of irrep B3g = [ 0.999157310935511 ]. - NOON of irrep B1u = [ 1.9999976339814 , 1.99356772577953 , 0.0151843203819756 ]. - NOON of irrep B2u = [ 1.00188409866517 ]. - NOON of irrep B3u = [ 1.00188409856888 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624825641966e-05 , 0.0439795124693612 , 0.0191227049267903 , 0.710073262911536 , 0.710073263516959 , 0.000114194275841605 , 0.0501988277925959 , 0.0847680570657043 , 0.70939318668783 , 0.709393186110655 ]. - Idistance(0) = 1.96740724039029 - Idistance(1) = 7.24682976582427 - Idistance(2) = 34.6048709831239 + Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 + NOON of irrep Ag = [ 1.99999761728831 , 1.998174586694 , 1.9909952964755 ]. + NOON of irrep B2g = [ 0.999157310957698 ]. + NOON of irrep B3g = [ 0.999157311006518 ]. + NOON of irrep B1u = [ 1.99999763398137 , 1.99356772579511 , 0.0151843205681181 ]. + NOON of irrep B2u = [ 1.00188409858755 ]. + NOON of irrep B3u = [ 1.00188409864584 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624806441826e-05 , 0.0439795109369487 , 0.019122706416429 , 0.710073263379331 , 0.710073263009136 , 0.00011419427579256 , 0.0501988280245198 , 0.0847680578468372 , 0.709393186199831 , 0.709393186552683 ]. + Idistance(0) = 1.96740724171428 + Idistance(1) = 7.24682977246206 + Idistance(2) = 34.6048710063326 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.193236 seconds -*** |--> MPS gauge change = 0.049532 seconds -*** |--> Diagram calc = 0.012886 seconds -*** |--> Tensor update = 0.129588 seconds -*** |--> create = 0.0462290000000001 seconds -*** |--> destroy = 0.002863 seconds -*** |--> disk write = 0.024821 seconds -*** |--> disk read = 0.015323 seconds -*** |--> calc = 0.04023 seconds -*** Disk write bandwidth = 16.486143817074 MB/s -*** Disk read bandwidth = 26.7051214307638 MB/s +*** Elapsed wall time = 0.199213 seconds +*** |--> MPS gauge change = 0.055598 seconds +*** |--> Diagram calc = 0.016053 seconds +*** |--> Tensor update = 0.125126 seconds +*** |--> create = 0.051497 seconds +*** |--> destroy = 0.005197 seconds +*** |--> disk write = 0.028131 seconds +*** |--> disk read = 0.023118 seconds +*** |--> calc = 0.016892 seconds +*** Disk write bandwidth = 14.5463216978989 MB/s +*** Disk read bandwidth = 17.7006045368801 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 = 0.015506 seconds -FCI::matvec : Wall time = 0.011293 seconds -FCI::matvec : Wall time = 0.011344 seconds -FCI::matvec : Wall time = 0.011106 seconds -FCI::matvec : Wall time = 0.009179 seconds -FCI::matvec : Wall time = 0.012129 seconds -FCI::matvec : Wall time = 0.015993 seconds -FCI::matvec : Wall time = 0.01576 seconds -FCI::matvec : Wall time = 0.010835 seconds -FCI::matvec : Wall time = 0.009273 seconds -FCI::matvec : Wall time = 0.135364 seconds -FCI::matvec : Wall time = 0.849576 seconds +FCI::matvec : Wall time = 0.021255 seconds +FCI::matvec : Wall time = 0.029195 seconds +FCI::matvec : Wall time = 0.02937 seconds +FCI::matvec : Wall time = 0.021157 seconds +FCI::matvec : Wall time = 0.029274 seconds +FCI::matvec : Wall time = 0.029141 seconds +FCI::matvec : Wall time = 0.021085 seconds +FCI::matvec : Wall time = 0.027966 seconds +FCI::matvec : Wall time = 0.02552 seconds +FCI::matvec : Wall time = 0.022103 seconds +FCI::matvec : Wall time = 0.013351 seconds +FCI::matvec : Wall time = 0.01337 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 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 @@ -2476,292 +2512,292 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 16 -Energy at sites (8, 9) is -102.765778179911 - Stats: nIt(DAVIDSON) = 23 -Energy at sites (7, 8) is -105.793581553034 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (8, 9) is -100.03875488661 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (7, 8) is -105.801971329196 + Stats: nIt(DAVIDSON) = 68 +Energy at sites (6, 7) is -105.904514608435 Stats: nIt(DAVIDSON) = 49 -Energy at sites (6, 7) is -105.904401853678 - Stats: nIt(DAVIDSON) = 43 -Energy at sites (5, 6) is -105.905615666678 - Stats: nIt(DAVIDSON) = 47 -Energy at sites (4, 5) is -106.125397591066 - Stats: nIt(DAVIDSON) = 45 -Energy at sites (3, 4) is -106.180357936889 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.180358119333 +Energy at sites (5, 6) is -106.101857273807 + Stats: nIt(DAVIDSON) = 36 +Energy at sites (4, 5) is -106.155990755903 + Stats: nIt(DAVIDSON) = 36 +Energy at sites (3, 4) is -106.172951122476 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (2, 3) is -106.172951353593 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.180358119333 +Energy at sites (1, 2) is -106.172951353593 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.348977 seconds -*** |--> S.join = 0.016823 seconds -*** |--> S.solve = 1.172225 seconds -*** |--> S.split = 0.048924 seconds -*** |--> Tensor update = 0.109866 seconds -*** |--> create = 0.019853 seconds -*** |--> destroy = 0.001316 seconds -*** |--> disk write = 0.011931 seconds -*** |--> disk read = 0.00722 seconds -*** |--> calc = 0.069505 seconds -*** Disk write bandwidth = 16.9188266287664 MB/s -*** Disk read bandwidth = 27.808192033847 MB/s -*** Minimum energy = -106.180358119333 +*** Elapsed wall time = 0.628289 seconds +*** |--> S.join = 0.024253 seconds +*** |--> S.solve = 0.397862 seconds +*** |--> S.split = 0.063156 seconds +*** |--> Tensor update = 0.142231 seconds +*** |--> create = 0.021953 seconds +*** |--> destroy = 0.002693 seconds +*** |--> disk write = 0.011833 seconds +*** |--> disk read = 0.009963 seconds +*** |--> calc = 0.095724 seconds +*** Disk write bandwidth = 17.0589470555068 MB/s +*** Disk read bandwidth = 20.1520773345754 MB/s +*** Minimum energy = -106.172951353593 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.180358119333 +Energy at sites (0, 1) is -106.172951353593 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.180358119333 +Energy at sites (1, 2) is -106.172951353593 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.180358119333 +Energy at sites (2, 3) is -106.172951353593 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.180358119357 +Energy at sites (3, 4) is -106.172951353612 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.18041772056 +Energy at sites (4, 5) is -106.173047006783 Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -106.191431220844 +Energy at sites (5, 6) is -106.191208637837 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191431221783 +Energy at sites (6, 7) is -106.191208638721 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191431221783 +Energy at sites (7, 8) is -106.191208638721 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.449808 seconds -*** |--> S.join = 0.016563 seconds -*** |--> S.solve = 0.266408 seconds -*** |--> S.split = 0.055767 seconds -*** |--> Tensor update = 0.110895 seconds -*** |--> create = 0.020752 seconds -*** |--> destroy = 0.001227 seconds -*** |--> disk write = 0.010998 seconds -*** |--> disk read = 0.007305 seconds -*** |--> calc = 0.07058 seconds -*** Disk write bandwidth = 18.2556052449877 MB/s -*** Disk read bandwidth = 27.6329254630818 MB/s -*** Minimum energy = -106.191431221783 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.191431221783 +*** Elapsed wall time = 1.571486 seconds +*** |--> S.join = 0.075291 seconds +*** |--> S.solve = 0.928927 seconds +*** |--> S.split = 0.211161 seconds +*** |--> Tensor update = 0.355456 seconds +*** |--> create = 0.030001 seconds +*** |--> destroy = 0.003117 seconds +*** |--> disk write = 0.014727 seconds +*** |--> disk read = 0.015504 seconds +*** |--> calc = 0.29202 seconds +*** Disk write bandwidth = 13.6331327822622 MB/s +*** Disk read bandwidth = 13.0197704145906 MB/s +*** Minimum energy = -106.191208638721 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191208638721 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191431221783 +Energy at sites (8, 9) is -106.191208638721 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191431221783 +Energy at sites (7, 8) is -106.191208638721 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191431221783 +Energy at sites (6, 7) is -106.191208638721 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.191431221783 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191461019986 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (3, 4) is -106.191465728143 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.191465740481 +Energy at sites (5, 6) is -106.191208638721 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -106.191440102919 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -106.19146129716 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (2, 3) is -106.191461297508 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191465740481 +Energy at sites (1, 2) is -106.191461297507 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.059007 seconds -*** |--> S.join = 0.00221 seconds -*** |--> S.solve = 0.010657 seconds -*** |--> S.split = 0.001517 seconds -*** |--> Tensor update = 0.044445 seconds -*** |--> create = 0.020049 seconds -*** |--> destroy = 0.001178 seconds -*** |--> disk write = 0.010448 seconds -*** |--> disk read = 0.006778 seconds -*** |--> calc = 0.005967 seconds -*** Disk write bandwidth = 19.3203024988335 MB/s -*** Disk read bandwidth = 29.6215913963374 MB/s -*** Minimum energy = -106.191465740481 +*** Elapsed wall time = 0.304275 seconds +*** |--> S.join = 0.020924 seconds +*** |--> S.solve = 0.129379 seconds +*** |--> S.split = 0.051001 seconds +*** |--> Tensor update = 0.102739 seconds +*** |--> create = 0.025964 seconds +*** |--> destroy = 0.002924 seconds +*** |--> disk write = 0.013107 seconds +*** |--> disk read = 0.014625 seconds +*** |--> calc = 0.046045 seconds +*** Disk write bandwidth = 15.4008179223173 MB/s +*** Disk read bandwidth = 13.7282151442308 MB/s +*** Minimum energy = -106.191461297508 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191465740481 +Energy at sites (0, 1) is -106.191461297507 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191465740481 +Energy at sites (1, 2) is -106.191461297507 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191465740481 +Energy at sites (2, 3) is -106.191461297507 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191465740481 +Energy at sites (3, 4) is -106.191461297507 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (4, 5) is -106.191461320358 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (5, 6) is -106.191466407668 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -106.191465741735 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -106.191466519622 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466519622 +Energy at sites (6, 7) is -106.191466408146 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466519622 +Energy at sites (7, 8) is -106.191466408146 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.054948 seconds -*** |--> S.join = 0.001977 seconds -*** |--> S.solve = 0.009184 seconds -*** |--> S.split = 0.001474 seconds -*** |--> Tensor update = 0.04203 seconds -*** |--> create = 0.020068 seconds -*** |--> destroy = 0.00117 seconds -*** |--> disk write = 0.010381 seconds -*** |--> disk read = 0.006381 seconds -*** |--> calc = 0.003999 seconds -*** Disk write bandwidth = 19.3406364015389 MB/s -*** Disk read bandwidth = 31.6343081817603 MB/s -*** Minimum energy = -106.191466519622 +*** Elapsed wall time = 0.087524 seconds +*** |--> S.join = 0.000656 seconds +*** |--> S.solve = 0.027054 seconds +*** |--> S.split = 0.004525 seconds +*** |--> Tensor update = 0.055142 seconds +*** |--> create = 0.021981 seconds +*** |--> destroy = 0.002732 seconds +*** |--> disk write = 0.01208 seconds +*** |--> disk read = 0.009612 seconds +*** |--> calc = 0.008676 seconds +*** Disk write bandwidth = 16.6204591460575 MB/s +*** Disk read bandwidth = 21.0006783715993 MB/s +*** Minimum energy = -106.191466408146 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.52978386501945e-05 +*** Energy difference with respect to previous leftright sweep = 0.000257769424308663 ****************************************************************** *** 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 = -106.191466519622 -*** Minimum energy encountered during the last sweep = -106.191466519622 +*** Minimum energy encountered during all instructions = -106.191466408146 +*** Minimum energy encountered during the last sweep = -106.191466408146 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 9 -Energy at sites (8, 9) is -106.191466519637 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -106.191466519653 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (8, 9) is -106.191466408146 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -106.191466519654 +Energy at sites (7, 8) is -106.191466408147 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (6, 7) is -106.191466408147 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.19146651966 +Energy at sites (5, 6) is -106.19146640815 Stats: nIt(DAVIDSON) = 17 -Energy at sites (4, 5) is -106.191466569098 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (3, 4) is -106.191466571934 +Energy at sites (4, 5) is -106.191466476062 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (3, 4) is -106.19146656622 Stats: nIt(DAVIDSON) = 7 -Energy at sites (2, 3) is -106.191466571934 +Energy at sites (2, 3) is -106.191466566222 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466571934 +Energy at sites (1, 2) is -106.191466566222 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.084319 seconds -*** |--> S.join = 0.00258 seconds -*** |--> S.solve = 0.03948 seconds -*** |--> S.split = 0.001571 seconds -*** |--> Tensor update = 0.040394 seconds -*** |--> create = 0.020089 seconds -*** |--> destroy = 0.001209 seconds -*** |--> disk write = 0.010273 seconds -*** |--> disk read = 0.006355 seconds -*** |--> calc = 0.002444 seconds -*** Disk write bandwidth = 19.6494228081196 MB/s -*** Disk read bandwidth = 31.5932567245279 MB/s -*** Minimum energy = -106.191466571934 +*** Elapsed wall time = 0.142704 seconds +*** |--> S.join = 0.003015 seconds +*** |--> S.solve = 0.068876 seconds +*** |--> S.split = 0.003412 seconds +*** |--> Tensor update = 0.067242 seconds +*** |--> create = 0.021864 seconds +*** |--> destroy = 0.002763 seconds +*** |--> disk write = 0.011652 seconds +*** |--> disk read = 0.009765 seconds +*** |--> calc = 0.021132 seconds +*** Disk write bandwidth = 17.3239375650371 MB/s +*** Disk read bandwidth = 20.5606908842166 MB/s +*** Minimum energy = -106.191466566222 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466571934 +Energy at sites (0, 1) is -106.191466566222 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466571934 +Energy at sites (1, 2) is -106.191466566222 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466571934 +Energy at sites (2, 3) is -106.191466566222 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -106.191466566222 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (4, 5) is -106.191466566255 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -106.191466575371 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -106.191466571934 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -106.191466571936 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -106.191466575658 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466575658 +Energy at sites (6, 7) is -106.191466575371 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575658 +Energy at sites (7, 8) is -106.191466575371 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.070069 seconds -*** |--> S.join = 0.002006 seconds -*** |--> S.solve = 0.025429 seconds -*** |--> S.split = 0.001503 seconds -*** |--> Tensor update = 0.040547 seconds -*** |--> create = 0.020114 seconds -*** |--> destroy = 0.001193 seconds -*** |--> disk write = 0.010426 seconds -*** |--> disk read = 0.006403 seconds -*** |--> calc = 0.00238 seconds -*** Disk write bandwidth = 19.2571596474559 MB/s -*** Disk read bandwidth = 31.5256161967535 MB/s -*** Minimum energy = -106.191466575658 +*** Elapsed wall time = 0.109315 seconds +*** |--> S.join = 0.00058 seconds +*** |--> S.solve = 0.058215 seconds +*** |--> S.split = 0.001797 seconds +*** |--> Tensor update = 0.048573 seconds +*** |--> create = 0.021916 seconds +*** |--> destroy = 0.002878 seconds +*** |--> disk write = 0.011525 seconds +*** |--> disk read = 0.00944 seconds +*** |--> calc = 0.002749 seconds +*** Disk write bandwidth = 17.4208370051518 MB/s +*** Disk read bandwidth = 21.3833178504039 MB/s +*** Minimum energy = -106.191466575371 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.60363559998223e-08 +*** Energy difference with respect to previous leftright sweep = 1.67225493896694e-07 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575658 +Energy at sites (8, 9) is -106.191466575371 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575658 +Energy at sites (7, 8) is -106.191466575371 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575658 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.191466575659 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (4, 5) is -106.191466575917 +Energy at sites (6, 7) is -106.191466575371 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (5, 6) is -106.191466575371 Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -106.191466575929 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.191466575929 +Energy at sites (4, 5) is -106.191466575603 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (3, 4) is -106.191466575916 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (2, 3) is -106.191466575916 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575929 +Energy at sites (1, 2) is -106.191466575916 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.06251 seconds -*** |--> S.join = 0.002353 seconds -*** |--> S.solve = 0.018611 seconds -*** |--> S.split = 0.001611 seconds -*** |--> Tensor update = 0.0398 seconds -*** |--> create = 0.020073 seconds -*** |--> destroy = 0.001303 seconds -*** |--> disk write = 0.010033 seconds -*** |--> disk read = 0.006258 seconds -*** |--> calc = 0.002109 seconds -*** Disk write bandwidth = 20.1194578399095 MB/s -*** Disk read bandwidth = 32.0829572522172 MB/s -*** Minimum energy = -106.191466575929 +*** Elapsed wall time = 0.122439 seconds +*** |--> S.join = 0.005179 seconds +*** |--> S.solve = 0.053232 seconds +*** |--> S.split = 0.006085 seconds +*** |--> Tensor update = 0.057786 seconds +*** |--> create = 0.022237 seconds +*** |--> destroy = 0.002895 seconds +*** |--> disk write = 0.011803 seconds +*** |--> disk read = 0.009429 seconds +*** |--> calc = 0.011356 seconds +*** Disk write bandwidth = 17.1023062363647 MB/s +*** Disk read bandwidth = 21.2933658377744 MB/s +*** Minimum energy = -106.191466575916 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575929 +Energy at sites (0, 1) is -106.191466575916 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575929 +Energy at sites (1, 2) is -106.191466575916 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575929 +Energy at sites (2, 3) is -106.191466575916 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575929 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -106.191466575929 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -106.191466575949 +Energy at sites (3, 4) is -106.191466575916 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -106.191466575916 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (5, 6) is -106.191466575948 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466575949 +Energy at sites (6, 7) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575949 +Energy at sites (7, 8) is -106.191466575948 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.062079 seconds -*** |--> S.join = 0.00228 seconds -*** |--> S.solve = 0.017999 seconds -*** |--> S.split = 0.001758 seconds -*** |--> Tensor update = 0.039904 seconds -*** |--> create = 0.020123 seconds -*** |--> destroy = 0.001173 seconds -*** |--> disk write = 0.009836 seconds -*** |--> disk read = 0.00635 seconds -*** |--> calc = 0.002394 seconds -*** Disk write bandwidth = 20.412275974418 MB/s -*** Disk read bandwidth = 31.7887433870571 MB/s -*** Minimum energy = -106.191466575949 +*** Elapsed wall time = 0.115027 seconds +*** |--> S.join = 0.001557 seconds +*** |--> S.solve = 0.051557 seconds +*** |--> S.split = 0.006559 seconds +*** |--> Tensor update = 0.05521 seconds +*** |--> create = 0.022269 seconds +*** |--> destroy = 0.0028 seconds +*** |--> disk write = 0.011488 seconds +*** |--> disk read = 0.009577 seconds +*** |--> calc = 0.009013 seconds +*** Disk write bandwidth = 17.4769452023307 MB/s +*** Disk read bandwidth = 21.0774272222839 MB/s +*** Minimum energy = -106.191466575948 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.90157231574995e-10 +*** Energy difference with respect to previous leftright sweep = 5.76932279727771e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575949 +Energy at sites (8, 9) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575949 +Energy at sites (7, 8) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575949 +Energy at sites (6, 7) is -106.191466575948 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.191466575949 +Energy at sites (5, 6) is -106.191466575948 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.191466575949 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 11 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 @@ -2769,18 +2805,18 @@ Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 0.058273 seconds -*** |--> S.join = 0.002347 seconds -*** |--> S.solve = 0.014582 seconds -*** |--> S.split = 0.001547 seconds -*** |--> Tensor update = 0.039658 seconds -*** |--> create = 0.020079 seconds -*** |--> destroy = 0.001208 seconds -*** |--> disk write = 0.009866 seconds -*** |--> disk read = 0.006234 seconds -*** |--> calc = 0.002243 seconds -*** Disk write bandwidth = 20.4600162687829 MB/s -*** Disk read bandwidth = 32.2064720058349 MB/s +*** Elapsed wall time = 0.111173 seconds +*** |--> S.join = 0.009778 seconds +*** |--> S.solve = 0.036699 seconds +*** |--> S.split = 0.002039 seconds +*** |--> Tensor update = 0.062502 seconds +*** |--> create = 0.022004 seconds +*** |--> destroy = 0.002844 seconds +*** |--> disk write = 0.012116 seconds +*** |--> disk read = 0.010161 seconds +*** |--> calc = 0.015317 seconds +*** Disk write bandwidth = 16.6604919534345 MB/s +*** Disk read bandwidth = 19.7593884936891 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** @@ -2792,31 +2828,31 @@ Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 5 + Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 11 + Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -106.19146657595 - Stats: nIt(DAVIDSON) = 2 + Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 0.057563 seconds -*** |--> S.join = 0.003023 seconds -*** |--> S.solve = 0.013032 seconds -*** |--> S.split = 0.001521 seconds -*** |--> Tensor update = 0.039853 seconds -*** |--> create = 0.020149 seconds -*** |--> destroy = 0.001176 seconds -*** |--> disk write = 0.009803 seconds -*** |--> disk read = 0.006375 seconds -*** |--> calc = 0.00232 seconds -*** Disk write bandwidth = 20.4809901544808 MB/s -*** Disk read bandwidth = 31.6640816482843 MB/s +*** Elapsed wall time = 0.11258 seconds +*** |--> S.join = 0.014392 seconds +*** |--> S.solve = 0.039549 seconds +*** |--> S.split = 0.001884 seconds +*** |--> Tensor update = 0.056573 seconds +*** |--> create = 0.021834 seconds +*** |--> destroy = 0.002726 seconds +*** |--> disk write = 0.011378 seconds +*** |--> disk read = 0.010393 seconds +*** |--> calc = 0.010177 seconds +*** Disk write bandwidth = 17.6459084623286 MB/s +*** Disk read bandwidth = 19.4225459932467 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.53477230924182e-12 +*** Energy difference with respect to previous leftright sweep = 1.96109795069788e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2831,51 +2867,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.99999399659708 , 1.99366325652285 , 1.87190049171889 ]. - NOON of irrep B2g = [ 0.584814303146688 ]. - NOON of irrep B3g = [ 0.584814261575739 ]. - NOON of irrep B1u = [ 1.99999783389178 , 1.12096429158813 , 1.00219410745139 ]. - NOON of irrep B2u = [ 1.42082875191469 ]. - NOON of irrep B3u = [ 1.42082870559275 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128195492867e-05 , 0.0722109533518336 , 0.460791908908941 , 1.13075780180199 , 1.13075778764072 , 6.17502955295581e-05 , 0.977139014545608 , 0.73593648148745 , 1.12042722125771 , 1.12042724439422 ]. - Idistance(0) = 5.65234392827253 - Idistance(1) = 19.838295786757 - Idistance(2) = 88.8195416356793 + NOON of irrep Ag = [ 1.99999399659767 , 1.99366325726169 , 1.87190049479156 ]. + NOON of irrep B2g = [ 0.584814293614102 ]. + NOON of irrep B3g = [ 0.584814267829721 ]. + NOON of irrep B1u = [ 1.99999783389174 , 1.12096429060548 , 1.00219410833 ]. + NOON of irrep B2u = [ 1.42082874988682 ]. + NOON of irrep B3u = [ 1.42082870719122 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.1712812172933e-05 , 0.0722109508541991 , 0.460791899303022 , 1.13075778718361 , 1.13075779662751 , 6.17502961194229e-05 , 0.97713901330082 , 0.7359364769372 , 1.1204272228488 , 1.12042724379766 ]. + Idistance(0) = 5.65234390276913 + Idistance(1) = 19.8382956971652 + Idistance(2) = 88.8195409063963 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.106728 seconds -*** |--> MPS gauge change = 0.003353 seconds -*** |--> Diagram calc = 0.006024 seconds -*** |--> Tensor update = 0.096101 seconds -*** |--> create = 0.046936 seconds -*** |--> destroy = 0.002863 seconds -*** |--> disk write = 0.02414 seconds -*** |--> disk read = 0.015161 seconds -*** |--> calc = 0.006871 seconds -*** Disk write bandwidth = 17.4954595305056 MB/s -*** Disk read bandwidth = 27.8570274432034 MB/s +*** Elapsed wall time = 0.147061 seconds +*** |--> MPS gauge change = 0.006289 seconds +*** |--> Diagram calc = 0.014211 seconds +*** |--> Tensor update = 0.125244 seconds +*** |--> create = 0.051529 seconds +*** |--> destroy = 0.005658 seconds +*** |--> disk write = 0.026956 seconds +*** |--> disk read = 0.023659 seconds +*** |--> calc = 0.017136 seconds +*** Disk write bandwidth = 15.6677694415494 MB/s +*** Disk read bandwidth = 17.8511514884994 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 = 0.009333 seconds -FCI::matvec : Wall time = 0.00943 seconds -FCI::matvec : Wall time = 0.010911 seconds -FCI::matvec : Wall time = 0.010826 seconds -FCI::matvec : Wall time = 0.010397 seconds -FCI::matvec : Wall time = 0.008976 seconds -FCI::matvec : Wall time = 0.008616 seconds -FCI::matvec : Wall time = 0.00842 seconds -FCI::matvec : Wall time = 0.009375 seconds -FCI::matvec : Wall time = 0.011846 seconds -FCI::matvec : Wall time = 0.008802 seconds -FCI::matvec : Wall time = 0.008554 seconds -FCI::matvec : Wall time = 0.008244 seconds -FCI::matvec : Wall time = 0.007931 seconds -FCI::matvec : Wall time = 0.008028 seconds -FCI::matvec : Wall time = 0.008877 seconds -FCI::matvec : Wall time = 0.008677 seconds -FCI::matvec : Wall time = 0.009265 seconds +FCI::matvec : Wall time = 0.045 seconds +FCI::matvec : Wall time = 0.026105 seconds +FCI::matvec : Wall time = 0.025199 seconds +FCI::matvec : Wall time = 0.029283 seconds +FCI::matvec : Wall time = 0.025178 seconds +FCI::matvec : Wall time = 0.025228 seconds +FCI::matvec : Wall time = 0.035167 seconds +FCI::matvec : Wall time = 0.033649 seconds +FCI::matvec : Wall time = 0.015089 seconds +FCI::matvec : Wall time = 0.03331 seconds +FCI::matvec : Wall time = 0.030329 seconds +FCI::matvec : Wall time = 0.013533 seconds +FCI::matvec : Wall time = 0.013789 seconds +FCI::matvec : Wall time = 0.050998 seconds +FCI::matvec : Wall time = 0.01622 seconds +FCI::matvec : Wall time = 0.021347 seconds +FCI::matvec : Wall time = 0.013773 seconds +FCI::matvec : Wall time = 0.013883 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 @@ -2897,213 +2933,213 @@ 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) = 16 -Energy at sites (8, 9) is -101.078981020806 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (8, 9) is -102.349245994076 Stats: nIt(DAVIDSON) = 28 -Energy at sites (7, 8) is -106.575384978684 - Stats: nIt(DAVIDSON) = 32 -Energy at sites (6, 7) is -106.778702402817 - Stats: nIt(DAVIDSON) = 70 -Energy at sites (5, 6) is -107.041047634767 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (4, 5) is -107.345563132654 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -107.34565848178 +Energy at sites (7, 8) is -106.588540396891 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (6, 7) is -106.778395566774 + Stats: nIt(DAVIDSON) = 73 +Energy at sites (5, 6) is -106.808776263635 + Stats: nIt(DAVIDSON) = 42 +Energy at sites (4, 5) is -107.33237233739 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (3, 4) is -107.332445243145 Stats: nIt(DAVIDSON) = 7 -Energy at sites (2, 3) is -107.345660215884 +Energy at sites (2, 3) is -107.332446353707 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.345660215884 +Energy at sites (1, 2) is -107.332446353706 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.169886 seconds -*** |--> S.join = 0.012301 seconds -*** |--> S.solve = 1.010073 seconds -*** |--> S.split = 0.03796 seconds -*** |--> Tensor update = 0.108718 seconds -*** |--> create = 0.025646 seconds -*** |--> destroy = 0.001412 seconds -*** |--> disk write = 0.012753 seconds -*** |--> disk read = 0.007934 seconds -*** |--> calc = 0.060932 seconds -*** Disk write bandwidth = 64.2034518226104 MB/s -*** Disk read bandwidth = 102.742961771037 MB/s -*** Minimum energy = -107.345660215884 +*** Elapsed wall time = 0.942547 seconds +*** |--> S.join = 0.013392 seconds +*** |--> S.solve = 0.819919 seconds +*** |--> S.split = 0.003696 seconds +*** |--> Tensor update = 0.099427 seconds +*** |--> create = 0.027995 seconds +*** |--> destroy = 0.002961 seconds +*** |--> disk write = 0.014895 seconds +*** |--> disk read = 0.018695 seconds +*** |--> calc = 0.034808 seconds +*** Disk write bandwidth = 54.9705687206277 MB/s +*** Disk read bandwidth = 43.603244647842 MB/s +*** Minimum energy = -107.332446353707 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.345660215884 +Energy at sites (0, 1) is -107.332446353707 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.345660215884 +Energy at sites (1, 2) is -107.332446353706 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.345660215884 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.345660218637 +Energy at sites (2, 3) is -107.332446353707 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (3, 4) is -107.332446354393 Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -107.345660269902 +Energy at sites (4, 5) is -107.332446412061 Stats: nIt(DAVIDSON) = 14 -Energy at sites (5, 6) is -107.346319615859 +Energy at sites (5, 6) is -107.346291831482 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346324662795 +Energy at sites (6, 7) is -107.346297179559 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346324662795 +Energy at sites (7, 8) is -107.346297179559 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.088208 seconds -*** |--> S.join = 0.003909 seconds -*** |--> S.solve = 0.033157 seconds -*** |--> S.split = 0.002438 seconds -*** |--> Tensor update = 0.048083 seconds -*** |--> create = 0.02477 seconds -*** |--> destroy = 0.001263 seconds -*** |--> disk write = 0.010904 seconds -*** |--> disk read = 0.006594 seconds -*** |--> calc = 0.004523 seconds -*** Disk write bandwidth = 74.7581308411048 MB/s -*** Disk read bandwidth = 124.171462100963 MB/s -*** Minimum energy = -107.346324662795 +*** Elapsed wall time = 0.850525 seconds +*** |--> S.join = 0.041167 seconds +*** |--> S.solve = 0.587726 seconds +*** |--> S.split = 0.073213 seconds +*** |--> Tensor update = 0.147547 seconds +*** |--> create = 0.028359 seconds +*** |--> destroy = 0.002943 seconds +*** |--> disk write = 0.01523 seconds +*** |--> disk read = 0.010484 seconds +*** |--> calc = 0.090459 seconds +*** Disk write bandwidth = 53.5234838274068 MB/s +*** Disk read bandwidth = 78.0986857205027 MB/s +*** Minimum energy = -107.346297179559 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346324662795 +*** Energy difference with respect to previous leftright sweep = 107.346297179559 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346324662795 +Energy at sites (8, 9) is -107.346297179559 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346324662795 +Energy at sites (7, 8) is -107.346297179559 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346324662795 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (5, 6) is -107.346324667822 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.346326066964 +Energy at sites (6, 7) is -107.346297179559 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.346326105149 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.346326105161 +Energy at sites (5, 6) is -107.346297187113 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.346320085146 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -107.346325969493 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (2, 3) is -107.346325970725 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326105161 +Energy at sites (1, 2) is -107.346325970725 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.075858 seconds -*** |--> S.join = 0.004459 seconds -*** |--> S.solve = 0.020615 seconds -*** |--> S.split = 0.002449 seconds -*** |--> Tensor update = 0.047615 seconds -*** |--> create = 0.024325 seconds -*** |--> destroy = 0.001392 seconds -*** |--> disk write = 0.010987 seconds -*** |--> disk read = 0.006364 seconds -*** |--> calc = 0.004516 seconds -*** Disk write bandwidth = 74.5232202688404 MB/s -*** Disk read bandwidth = 128.089669813232 MB/s -*** Minimum energy = -107.346326105161 +*** Elapsed wall time = 0.346068 seconds +*** |--> S.join = 0.0166 seconds +*** |--> S.solve = 0.161183 seconds +*** |--> S.split = 0.036228 seconds +*** |--> Tensor update = 0.131145 seconds +*** |--> create = 0.028059 seconds +*** |--> destroy = 0.003075 seconds +*** |--> disk write = 0.01537 seconds +*** |--> disk read = 0.010714 seconds +*** |--> calc = 0.073852 seconds +*** Disk write bandwidth = 53.2717385226903 MB/s +*** Disk read bandwidth = 76.0838770479192 MB/s +*** Minimum energy = -107.346325970725 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326105161 +Energy at sites (0, 1) is -107.346325970725 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326105161 +Energy at sites (1, 2) is -107.346325970725 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326105161 +Energy at sites (2, 3) is -107.346325970725 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326105161 +Energy at sites (3, 4) is -107.346325970725 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326105203 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (5, 6) is -107.346326114643 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.346326114914 +Energy at sites (4, 5) is -107.346325971738 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (5, 6) is -107.346326101166 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (6, 7) is -107.346326114256 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114914 +Energy at sites (7, 8) is -107.346326114256 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.066118 seconds -*** |--> S.join = 0.002077 seconds -*** |--> S.solve = 0.012659 seconds -*** |--> S.split = 0.002567 seconds -*** |--> Tensor update = 0.048672 seconds -*** |--> create = 0.024862 seconds -*** |--> destroy = 0.001289 seconds -*** |--> disk write = 0.011156 seconds -*** |--> disk read = 0.006424 seconds -*** |--> calc = 0.004915 seconds -*** Disk write bandwidth = 73.0694387496779 MB/s -*** Disk read bandwidth = 127.457444130409 MB/s -*** Minimum energy = -107.346326114914 +*** Elapsed wall time = 0.125147 seconds +*** |--> S.join = 0.003272 seconds +*** |--> S.solve = 0.046645 seconds +*** |--> S.split = 0.003146 seconds +*** |--> Tensor update = 0.071682 seconds +*** |--> create = 0.02872 seconds +*** |--> destroy = 0.003016 seconds +*** |--> disk write = 0.015603 seconds +*** |--> disk read = 0.010327 seconds +*** |--> calc = 0.013946 seconds +*** Disk write bandwidth = 52.2439696655391 MB/s +*** Disk read bandwidth = 79.2860095955989 MB/s +*** Minimum energy = -107.346326114256 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.45211913604726e-06 +*** Energy difference with respect to previous leftright sweep = 2.89346970987481e-05 ****************************************************************** *** 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 = -107.346326114914 -*** Minimum energy encountered during the last sweep = -107.346326114914 +*** Minimum energy encountered during all instructions = -107.346326114256 +*** Minimum energy encountered during the last sweep = -107.346326114256 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.346326114917 +Energy at sites (8, 9) is -107.346326114258 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -107.34632611492 +Energy at sites (7, 8) is -107.34632611426 Stats: nIt(DAVIDSON) = 12 -Energy at sites (6, 7) is -107.346326114922 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -107.346326114924 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -107.346326115022 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.346326115023 +Energy at sites (6, 7) is -107.346326114262 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (5, 6) is -107.34632611428 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.346326114961 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -107.346326115018 Stats: nIt(DAVIDSON) = 7 -Energy at sites (2, 3) is -107.346326115023 +Energy at sites (2, 3) is -107.346326115018 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115023 +Energy at sites (1, 2) is -107.346326115018 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.130454 seconds -*** |--> S.join = 0.00198 seconds -*** |--> S.solve = 0.077793 seconds -*** |--> S.split = 0.002635 seconds -*** |--> Tensor update = 0.047906 seconds -*** |--> create = 0.02458 seconds -*** |--> destroy = 0.001294 seconds -*** |--> disk write = 0.010849 seconds -*** |--> disk read = 0.006317 seconds -*** |--> calc = 0.004831 seconds -*** Disk write bandwidth = 75.4711605764356 MB/s -*** Disk read bandwidth = 129.042687777649 MB/s -*** Minimum energy = -107.346326115023 +*** Elapsed wall time = 0.430733 seconds +*** |--> S.join = 0.007366 seconds +*** |--> S.solve = 0.33166 seconds +*** |--> S.split = 0.007131 seconds +*** |--> Tensor update = 0.083779 seconds +*** |--> create = 0.027495 seconds +*** |--> destroy = 0.002931 seconds +*** |--> disk write = 0.014584 seconds +*** |--> disk read = 0.010073 seconds +*** |--> calc = 0.028626 seconds +*** Disk write bandwidth = 56.1428017754903 MB/s +*** Disk read bandwidth = 80.9255096487051 MB/s +*** Minimum energy = -107.346326115018 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115023 +Energy at sites (0, 1) is -107.346326115018 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115023 +Energy at sites (1, 2) is -107.346326115018 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115023 +Energy at sites (2, 3) is -107.346326115018 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.346326115023 +Energy at sites (3, 4) is -107.346326115018 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.346326115023 - Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -107.346326115018 + Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 10 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 = 0.091523 seconds -*** |--> S.join = 0.001913 seconds -*** |--> S.solve = 0.03853 seconds -*** |--> S.split = 0.002469 seconds -*** |--> Tensor update = 0.048247 seconds -*** |--> create = 0.024864 seconds -*** |--> destroy = 0.001272 seconds -*** |--> disk write = 0.010955 seconds -*** |--> disk read = 0.00645 seconds -*** |--> calc = 0.004676 seconds -*** Disk write bandwidth = 74.4101012041448 MB/s -*** Disk read bandwidth = 126.943662185078 MB/s +*** Elapsed wall time = 0.356112 seconds +*** |--> S.join = 0.040169 seconds +*** |--> S.solve = 0.231209 seconds +*** |--> S.split = 0.003125 seconds +*** |--> Tensor update = 0.080827 seconds +*** |--> create = 0.028338 seconds +*** |--> destroy = 0.003005 seconds +*** |--> disk write = 0.014951 seconds +*** |--> disk read = 0.010401 seconds +*** |--> calc = 0.024053 seconds +*** Disk write bandwidth = 54.5222833717749 MB/s +*** Disk read bandwidth = 78.7219133827276 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.09963593786233e-10 +*** Energy difference with respect to previous leftright sweep = 7.67926167100086e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115024 @@ -3111,66 +3147,66 @@ Energy at sites (7, 8) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (5, 6) is -107.346326115025 + Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.346326115024 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.346326115024 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 = 0.160101 seconds -*** |--> S.join = 0.006223 seconds -*** |--> S.solve = 0.082995 seconds -*** |--> S.split = 0.010923 seconds -*** |--> Tensor update = 0.05939 seconds -*** |--> create = 0.0245 seconds -*** |--> destroy = 0.001261 seconds -*** |--> disk write = 0.011769 seconds -*** |--> disk read = 0.006474 seconds -*** |--> calc = 0.015349 seconds -*** Disk write bandwidth = 69.5714692067083 MB/s -*** Disk read bandwidth = 125.91329297056 MB/s +*** Elapsed wall time = 0.797497 seconds +*** |--> S.join = 0.030603 seconds +*** |--> S.solve = 0.564205 seconds +*** |--> S.split = 0.05727 seconds +*** |--> Tensor update = 0.144691 seconds +*** |--> create = 0.027602 seconds +*** |--> destroy = 0.003414 seconds +*** |--> disk write = 0.017441 seconds +*** |--> disk read = 0.010552 seconds +*** |--> calc = 0.085609 seconds +*** Disk write bandwidth = 46.9460822827676 MB/s +*** Disk read bandwidth = 77.2519577986545 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115025 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) = 2 -Energy at sites (3, 4) is -107.346326115024 - Stats: nIt(DAVIDSON) = 2 +Energy at sites (3, 4) is -107.346326115025 + Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.346326115025 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.346326115025 - Stats: nIt(DAVIDSON) = 3 + Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115025 +Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.074682 seconds -*** |--> S.join = 0.0022 seconds -*** |--> S.solve = 0.020549 seconds -*** |--> S.split = 0.00252400000000004 seconds -*** |--> Tensor update = 0.049062 seconds -*** |--> create = 0.024716 seconds -*** |--> destroy = 0.001298 seconds -*** |--> disk write = 0.011432 seconds -*** |--> disk read = 0.006707 seconds -*** |--> calc = 0.004877 seconds -*** Disk write bandwidth = 71.3053410331881 MB/s -*** Disk read bandwidth = 122.079412717124 MB/s +*** Elapsed wall time = 0.115133 seconds +*** |--> S.join = 0.000852 seconds +*** |--> S.solve = 0.046296 seconds +*** |--> S.split = 0.005267 seconds +*** |--> Tensor update = 0.062457 seconds +*** |--> create = 0.027969 seconds +*** |--> destroy = 0.003279 seconds +*** |--> disk write = 0.013515 seconds +*** |--> disk read = 0.010315 seconds +*** |--> calc = 0.007311 seconds +*** Disk write bandwidth = 60.3154020489387 MB/s +*** Disk read bandwidth = 79.3782473188318 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.55795384873636e-13 +*** Energy difference with respect to previous leftright sweep = 1.4210854715202e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3184,52 +3220,52 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025 - NOON of irrep Ag = [ 1.99999018535377 , 1.99292175281355 , 1.03221285672776 ]. - NOON of irrep B2g = [ 1.02415310259757 ]. - NOON of irrep B3g = [ 0.0896934287757976 ]. - NOON of irrep B1u = [ 1.99999295584655 , 1.95039154290325 , 0.0159495095317837 ]. - NOON of irrep B2u = [ 1.91962159297097 ]. - NOON of irrep B3u = [ 1.97507307247901 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322990874813 , 0.0447141464686297 , 0.83896699455486 , 0.790658960251757 , 0.317368561184153 , 9.24989500735943e-05 , 0.227634117094491 , 0.0907424585079664 , 0.299652804881886 , 0.133979297019841 ]. - Idistance(0) = 1.57215407913464 - Idistance(1) = 5.15805448325434 - Idistance(2) = 21.9866409865531 + Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 + NOON of irrep Ag = [ 1.99999018535392 , 1.99292175292065 , 1.03221285649192 ]. + NOON of irrep B2g = [ 1.02415310262656 ]. + NOON of irrep B3g = [ 0.0896934287662 ]. + NOON of irrep B1u = [ 1.99999295584655 , 1.95039154296459 , 0.0159495095482068 ]. + NOON of irrep B2u = [ 1.91962159298546 ]. + NOON of irrep B3u = [ 1.97507307249594 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00012132298857501 , 0.0447141458331747 , 0.838966995158703 , 0.790658960052842 , 0.3173685612229 , 9.24989500396312e-05 , 0.22763411687384 , 0.090742458630594 , 0.299652804906712 , 0.133979296945717 ]. + Idistance(0) = 1.57215407921557 + Idistance(1) = 5.15805448251459 + Idistance(2) = 21.9866409764469 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.127881 seconds -*** |--> MPS gauge change = 0.003047 seconds -*** |--> Diagram calc = 0.007874 seconds -*** |--> Tensor update = 0.115136 seconds -*** |--> create = 0.057334 seconds -*** |--> destroy = 0.003019 seconds -*** |--> disk write = 0.025309 seconds -*** |--> disk read = 0.015649 seconds -*** |--> calc = 0.013691 seconds -*** Disk write bandwidth = 65.6235245838005 MB/s -*** Disk read bandwidth = 106.132390803975 MB/s +*** Elapsed wall time = 0.192164 seconds +*** |--> MPS gauge change = 0.002534 seconds +*** |--> Diagram calc = 0.030044 seconds +*** |--> Tensor update = 0.158042 seconds +*** |--> create = 0.07343 seconds +*** |--> destroy = 0.005933 seconds +*** |--> disk write = 0.030951 seconds +*** |--> disk read = 0.024748 seconds +*** |--> calc = 0.022655 seconds +*** Disk write bandwidth = 53.6611348160449 MB/s +*** Disk read bandwidth = 67.1111113500649 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 = 0.019268 seconds -FCI::matvec : Wall time = 0.016035 seconds -FCI::matvec : Wall time = 0.016899 seconds -FCI::matvec : Wall time = 0.01629 seconds -FCI::matvec : Wall time = 0.011906 seconds -FCI::matvec : Wall time = 0.015121 seconds -FCI::matvec : Wall time = 0.012915 seconds -FCI::matvec : Wall time = 0.012471 seconds -FCI::matvec : Wall time = 0.013294 seconds -FCI::matvec : Wall time = 0.012049 seconds -FCI::matvec : Wall time = 0.011099 seconds -FCI::matvec : Wall time = 0.01279 seconds -FCI::matvec : Wall time = 0.01125 seconds -FCI::matvec : Wall time = 0.013515 seconds -FCI::matvec : Wall time = 0.013843 seconds -FCI::matvec : Wall time = 0.01443 seconds -FCI::matvec : Wall time = 0.013004 seconds -FCI::matvec : Wall time = 0.01254 seconds +FCI::matvec : Wall time = 0.02018 seconds +FCI::matvec : Wall time = 0.020471 seconds +FCI::matvec : Wall time = 0.04341 seconds +FCI::matvec : Wall time = 0.035501 seconds +FCI::matvec : Wall time = 0.019927 seconds +FCI::matvec : Wall time = 0.019543 seconds +FCI::matvec : Wall time = 0.019632 seconds +FCI::matvec : Wall time = 0.020099 seconds +FCI::matvec : Wall time = 0.019768 seconds +FCI::matvec : Wall time = 0.019617 seconds +FCI::matvec : Wall time = 0.022315 seconds +FCI::matvec : Wall time = 0.990572 seconds +FCI::matvec : Wall time = 0.029836 seconds +FCI::matvec : Wall time = 0.022071 seconds +FCI::matvec : Wall time = 0.028106 seconds +FCI::matvec : Wall time = 0.034086 seconds +FCI::matvec : Wall time = 0.031327 seconds +FCI::matvec : Wall time = 0.040451 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 @@ -3251,139 +3287,139 @@ 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) = 16 -Energy at sites (8, 9) is -101.550376577289 - Stats: nIt(DAVIDSON) = 27 -Energy at sites (7, 8) is -106.56498113219 - Stats: nIt(DAVIDSON) = 49 -Energy at sites (6, 7) is -106.950059386627 - Stats: nIt(DAVIDSON) = 60 -Energy at sites (5, 6) is -107.182010831844 - Stats: nIt(DAVIDSON) = 43 -Energy at sites (4, 5) is -107.18837324184 - Stats: nIt(DAVIDSON) = 39 -Energy at sites (3, 4) is -107.199504476312 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (8, 9) is -98.5805858463791 + Stats: nIt(DAVIDSON) = 40 +Energy at sites (7, 8) is -106.253225339868 + Stats: nIt(DAVIDSON) = 51 +Energy at sites (6, 7) is -106.954443689051 + Stats: nIt(DAVIDSON) = 62 +Energy at sites (5, 6) is -107.185292417909 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (4, 5) is -107.188633826903 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (3, 4) is -107.199548153541 Stats: nIt(DAVIDSON) = 12 -Energy at sites (2, 3) is -107.199524158456 +Energy at sites (2, 3) is -107.199571255846 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199524158456 +Energy at sites (1, 2) is -107.199571255845 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.11697 seconds -*** |--> S.join = 0.00669 seconds -*** |--> S.solve = 1.010356 seconds -*** |--> S.split = 0.020707 seconds -*** |--> Tensor update = 0.078477 seconds -*** |--> create = 0.024641 seconds -*** |--> destroy = 0.00129 seconds -*** |--> disk write = 0.012058 seconds -*** |--> disk read = 0.007161 seconds -*** |--> calc = 0.033298 seconds -*** Disk write bandwidth = 69.7610627005282 MB/s -*** Disk read bandwidth = 116.960610479071 MB/s -*** Minimum energy = -107.199524158456 +*** Elapsed wall time = 1.080281 seconds +*** |--> S.join = 0.025065 seconds +*** |--> S.solve = 0.944313 seconds +*** |--> S.split = 0.003601 seconds +*** |--> Tensor update = 0.106391 seconds +*** |--> create = 0.027602 seconds +*** |--> destroy = 0.003087 seconds +*** |--> disk write = 0.015297 seconds +*** |--> disk read = 0.010635 seconds +*** |--> calc = 0.049703 seconds +*** Disk write bandwidth = 54.9897949952912 MB/s +*** Disk read bandwidth = 78.7545774932417 MB/s +*** Minimum energy = -107.199571255846 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199524158456 +Energy at sites (0, 1) is -107.199571255846 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199524158456 +Energy at sites (1, 2) is -107.199571255845 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199524158456 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199524161973 +Energy at sites (2, 3) is -107.199571255845 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (3, 4) is -107.199571266272 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.199536612821 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (5, 6) is -107.199614635893 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -107.199617255522 +Energy at sites (4, 5) is -107.199583773983 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -107.199616266595 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (6, 7) is -107.199617361081 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617255522 +Energy at sites (7, 8) is -107.199617361081 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.108994 seconds -*** |--> S.join = 0.002129 seconds -*** |--> S.solve = 0.055088 seconds -*** |--> S.split = 0.002563 seconds -*** |--> Tensor update = 0.048852 seconds -*** |--> create = 0.024461 seconds -*** |--> destroy = 0.001224 seconds -*** |--> disk write = 0.011423 seconds -*** |--> disk read = 0.00657 seconds -*** |--> calc = 0.005146 seconds -*** Disk write bandwidth = 73.3218008964917 MB/s -*** Disk read bandwidth = 128.033317205931 MB/s -*** Minimum energy = -107.199617255522 +*** Elapsed wall time = 0.231144 seconds +*** |--> S.join = 0.014604 seconds +*** |--> S.solve = 0.133142 seconds +*** |--> S.split = 0.003016 seconds +*** |--> Tensor update = 0.079583 seconds +*** |--> create = 0.027813 seconds +*** |--> destroy = 0.003617 seconds +*** |--> disk write = 0.015638 seconds +*** |--> disk read = 0.011185 seconds +*** |--> calc = 0.021254 seconds +*** Disk write bandwidth = 53.5589545747938 MB/s +*** Disk read bandwidth = 75.2059806922636 MB/s +*** Minimum energy = -107.199617361081 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617255522 +*** Energy difference with respect to previous leftright sweep = 107.199617361081 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617255522 +Energy at sites (8, 9) is -107.199617361081 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617255522 +Energy at sites (7, 8) is -107.199617361081 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617255522 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -107.199617259787 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.199617362125 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.199617419959 +Energy at sites (6, 7) is -107.199617361081 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (5, 6) is -107.199617361834 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -107.199617377695 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.199617421381 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.199617421372 +Energy at sites (2, 3) is -107.199617421666 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421372 +Energy at sites (1, 2) is -107.199617421666 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.087562 seconds -*** |--> S.join = 0.002131 seconds -*** |--> S.solve = 0.032435 seconds -*** |--> S.split = 0.00281 seconds -*** |--> Tensor update = 0.050043 seconds -*** |--> create = 0.02429 seconds -*** |--> destroy = 0.001275 seconds -*** |--> disk write = 0.011134 seconds -*** |--> disk read = 0.006321 seconds -*** |--> calc = 0.006997 seconds -*** Disk write bandwidth = 75.5504665028713 MB/s -*** Disk read bandwidth = 132.503548748715 MB/s -*** Minimum energy = -107.199617421372 +*** Elapsed wall time = 0.096625 seconds +*** |--> S.join = 0.000753 seconds +*** |--> S.solve = 0.032642 seconds +*** |--> S.split = 0.003034 seconds +*** |--> Tensor update = 0.059469 seconds +*** |--> create = 0.026998 seconds +*** |--> destroy = 0.003309 seconds +*** |--> disk write = 0.01351 seconds +*** |--> disk read = 0.010419 seconds +*** |--> calc = 0.005157 seconds +*** Disk write bandwidth = 62.2634266501087 MB/s +*** Disk read bandwidth = 80.3872666897615 MB/s +*** Minimum energy = -107.199617421666 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617421372 +Energy at sites (0, 1) is -107.199617421666 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421372 +Energy at sites (1, 2) is -107.199617421666 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421372 +Energy at sites (2, 3) is -107.199617421666 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617421372 +Energy at sites (3, 4) is -107.199617421666 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617421463 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.199617421867 +Energy at sites (4, 5) is -107.199617421738 Stats: nIt(DAVIDSON) = 2 +Energy at sites (5, 6) is -107.199617421898 + Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617421898 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421898 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.061709 seconds -*** |--> S.join = 0.001962 seconds -*** |--> S.solve = 0.009329 seconds -*** |--> S.split = 0.002479 seconds -*** |--> Tensor update = 0.047798 seconds -*** |--> create = 0.024669 seconds -*** |--> destroy = 0.001271 seconds -*** |--> disk write = 0.01087 seconds -*** |--> disk read = 0.006392 seconds -*** |--> calc = 0.004563 seconds -*** Disk write bandwidth = 77.0519716320722 MB/s -*** Disk read bandwidth = 131.598700569926 MB/s +*** Elapsed wall time = 0.091071 seconds +*** |--> S.join = 0.000676 seconds +*** |--> S.solve = 0.019473 seconds +*** |--> S.split = 0.004881 seconds +*** |--> Tensor update = 0.065196 seconds +*** |--> create = 0.027748 seconds +*** |--> destroy = 0.003295 seconds +*** |--> disk write = 0.014115 seconds +*** |--> disk read = 0.010258 seconds +*** |--> calc = 0.009702 seconds +*** Disk write bandwidth = 59.3379335204127 MB/s +*** Disk read bandwidth = 82.0022318232568 MB/s *** Minimum energy = -107.199617421898 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.66376139532076e-07 +*** Energy difference with respect to previous leftright sweep = 6.08166601523408e-08 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 @@ -3393,35 +3429,35 @@ *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.199617421901 +Energy at sites (8, 9) is -107.199617421904 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.199617421902 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (6, 7) is -107.199617421907 - Stats: nIt(DAVIDSON) = 24 +Energy at sites (7, 8) is -107.199617421907 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (6, 7) is -107.199617421914 + Stats: nIt(DAVIDSON) = 23 Energy at sites (5, 6) is -107.199617421916 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.199617421918 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.199617421919 +Energy at sites (4, 5) is -107.199617421917 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (3, 4) is -107.199617421918 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.139482 seconds -*** |--> S.join = 0.001861 seconds -*** |--> S.solve = 0.0871420000000001 seconds -*** |--> S.split = 0.002498 seconds -*** |--> Tensor update = 0.047522 seconds -*** |--> create = 0.024338 seconds -*** |--> destroy = 0.001268 seconds -*** |--> disk write = 0.011031 seconds -*** |--> disk read = 0.006311 seconds -*** |--> calc = 0.004544 seconds -*** Disk write bandwidth = 76.255905542831 MB/s -*** Disk read bandwidth = 132.713505251248 MB/s +*** Elapsed wall time = 0.347104 seconds +*** |--> S.join = 0.004056 seconds +*** |--> S.solve = 0.267002 seconds +*** |--> S.split = 0.003214 seconds +*** |--> Tensor update = 0.072022 seconds +*** |--> create = 0.027748 seconds +*** |--> destroy = 0.003466 seconds +*** |--> disk write = 0.014273 seconds +*** |--> disk read = 0.010341 seconds +*** |--> calc = 0.016124 seconds +*** Disk write bandwidth = 58.9349747105002 MB/s +*** Disk read bandwidth = 80.9936110280075 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3433,31 +3469,31 @@ Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199617421919 - Stats: nIt(DAVIDSON) = 18 + Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.199617421919 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 9 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 = 0.101112 seconds -*** |--> S.join = 0.001924 seconds -*** |--> S.solve = 0.047471 seconds -*** |--> S.split = 0.002603 seconds -*** |--> Tensor update = 0.048746 seconds -*** |--> create = 0.024719 seconds -*** |--> destroy = 0.001259 seconds -*** |--> disk write = 0.011181 seconds -*** |--> disk read = 0.00648 seconds -*** |--> calc = 0.005081 seconds -*** Disk write bandwidth = 74.9087676988306 MB/s -*** Disk read bandwidth = 129.81155772268 MB/s +*** Elapsed wall time = 0.279668 seconds +*** |--> S.join = 0.006255 seconds +*** |--> S.solve = 0.186537 seconds +*** |--> S.split = 0.022865 seconds +*** |--> Tensor update = 0.063204 seconds +*** |--> create = 0.028393 seconds +*** |--> destroy = 0.00434 seconds +*** |--> disk write = 0.014589 seconds +*** |--> disk read = 0.010362 seconds +*** |--> calc = 0.005452 seconds +*** Disk write bandwidth = 57.4100302721657 MB/s +*** Disk read bandwidth = 81.1792022816993 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.09467998502078e-11 +*** Energy difference with respect to previous leftright sweep = 2.08899564313469e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3472,54 +3508,54 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 - NOON of irrep Ag = [ 1.99998814651105 , 1.9892404156568 , 1.87687858004394 ]. - NOON of irrep B2g = [ 0.139387811452889 ]. - NOON of irrep B3g = [ 1.03112739684311 ]. - NOON of irrep B1u = [ 1.9999943124415 , 1.10839164059514 , 0.0211636956588088 ]. - NOON of irrep B2u = [ 1.96715797368671 ]. - NOON of irrep B3u = [ 1.86667002711005 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980004020684 , 0.0818410215260917 , 0.449623197927548 , 0.486645056028554 , 0.811029481761552 , 6.68868116309372e-05 , 0.962046613515957 , 0.112095070258907 , 0.167176149901152 , 0.475082461536613 ]. - Idistance(0) = 2.38445939381305 - Idistance(1) = 9.57998274539516 - Idistance(2) = 47.8783647120688 + NOON of irrep Ag = [ 1.99998814651024 , 1.98924041565132 , 1.87687857992483 ]. + NOON of irrep B2g = [ 0.139387811333687 ]. + NOON of irrep B3g = [ 1.03112739707167 ]. + NOON of irrep B1u = [ 1.99999431244151 , 1.10839164062832 , 0.0211636956899768 ]. + NOON of irrep B2u = [ 1.96715797359179 ]. + NOON of irrep B3u = [ 1.86667002715666 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980011504795 , 0.081841021633487 , 0.449623198177192 , 0.486645055698554 , 0.811029481723158 , 6.6886811583721e-05 , 0.962046613586127 , 0.112095070387417 , 0.167176150303996 , 0.475082461346618 ]. + Idistance(0) = 2.38445939157851 + Idistance(1) = 9.57998273814903 + Idistance(2) = 47.8783646787214 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.128357 seconds -*** |--> MPS gauge change = 0.004762 seconds -*** |--> Diagram calc = 0.008112 seconds -*** |--> Tensor update = 0.114035 seconds -*** |--> create = 0.056269 seconds -*** |--> destroy = 0.002986 seconds -*** |--> disk write = 0.025331 seconds -*** |--> disk read = 0.015679 seconds -*** |--> calc = 0.013647 seconds -*** Disk write bandwidth = 67.334504346052 MB/s -*** Disk read bandwidth = 108.785657860185 MB/s +*** Elapsed wall time = 0.175285 seconds +*** |--> MPS gauge change = 0.011589 seconds +*** |--> Diagram calc = 0.01046 seconds +*** |--> Tensor update = 0.150793 seconds +*** |--> create = 0.06437 seconds +*** |--> destroy = 0.005797 seconds +*** |--> disk write = 0.030483 seconds +*** |--> disk read = 0.024132 seconds +*** |--> calc = 0.025702 seconds +*** Disk write bandwidth = 55.9541491844584 MB/s +*** Disk read bandwidth = 70.6800236030931 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 = 0.013114 seconds -FCI::matvec : Wall time = 0.013483 seconds -FCI::matvec : Wall time = 0.012251 seconds -FCI::matvec : Wall time = 0.015111 seconds -FCI::matvec : Wall time = 0.013695 seconds -FCI::matvec : Wall time = 0.015524 seconds -FCI::matvec : Wall time = 0.011979 seconds -FCI::matvec : Wall time = 0.011926 seconds -FCI::matvec : Wall time = 0.011096 seconds -FCI::matvec : Wall time = 0.012583 seconds -FCI::matvec : Wall time = 0.012178 seconds -FCI::matvec : Wall time = 0.012401 seconds -FCI::matvec : Wall time = 0.012176 seconds -FCI::matvec : Wall time = 0.013247 seconds -FCI::matvec : Wall time = 0.013576 seconds -FCI::matvec : Wall time = 0.013046 seconds -FCI::matvec : Wall time = 0.013501 seconds -FCI::matvec : Wall time = 0.014019 seconds -FCI::matvec : Wall time = 0.013914 seconds -FCI::matvec : Wall time = 0.011984 seconds -FCI::matvec : Wall time = 0.015164 seconds +FCI::matvec : Wall time = 0.03533 seconds +FCI::matvec : Wall time = 0.035472 seconds +FCI::matvec : Wall time = 0.071306 seconds +FCI::matvec : Wall time = 0.026005 seconds +FCI::matvec : Wall time = 0.019873 seconds +FCI::matvec : Wall time = 0.019132 seconds +FCI::matvec : Wall time = 0.019242 seconds +FCI::matvec : Wall time = 0.022906 seconds +FCI::matvec : Wall time = 0.020928 seconds +FCI::matvec : Wall time = 0.023025 seconds +FCI::matvec : Wall time = 0.019498 seconds +FCI::matvec : Wall time = 0.019572 seconds +FCI::matvec : Wall time = 0.043888 seconds +FCI::matvec : Wall time = 0.131575 seconds +FCI::matvec : Wall time = 0.020014 seconds +FCI::matvec : Wall time = 0.018491 seconds +FCI::matvec : Wall time = 0.018531 seconds +FCI::matvec : Wall time = 0.018426 seconds +FCI::matvec : Wall time = 0.018956 seconds +FCI::matvec : Wall time = 0.022703 seconds +FCI::matvec : Wall time = 0.019428 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 @@ -3536,7 +3572,7 @@ debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12' dh_auto_install - cd obj-i686-linux-gnu && make -j22 install DESTDIR=/build/reproducible-path/chemps2-1.8.12/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-i686-linux-gnu && make -j10 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-i686-linux-gnu' Install the project... -- Install configuration: "release" @@ -3551,56 +3587,56 @@ -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/lib/i386-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/Tensor3RDM.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/TensorKM.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/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/FourIndex.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/DMRGSCFwtilde.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/Heff.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/Problem.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/Wigner.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/TensorS0.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/Tensor.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/TensorGYZ.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/ConvergenceScheme.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/Irreps.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/SyBookkeeper.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/DMRGSCFrotations.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/TensorOperator.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/DMRG.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/Molden.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/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/CASPT2.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/TensorF1.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/TensorGYZ.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/DMRGSCFmatrix.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/Heff.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/Davidson.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/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/CASSCF.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/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/Hamiltonian.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/Special.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/ConjugateGradient.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/DMRGSCFintegrals.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/Tensor3RDM.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/TensorS0.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/MPIchemps2.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/DMRGSCFwtilde.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/Correlations.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/EdmistonRuedenberg.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/Excitation.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/DMRGSCFindices.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/Sobject.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/Initialize.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/TwoIndex.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/Options.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 @@ -3656,7 +3692,7 @@ dh_makeshlibs -a dpkg-gensymbols: warning: debian/libchemps2-3t64/DEBIAN/symbols doesn't match completely debian/libchemps2-3t64.symbols --- debian/libchemps2-3t64.symbols (libchemps2-3t64_1.8.12-4_i386) -+++ dpkg-gensymbolss0sXJe 2026-04-24 01:43:19.101314357 -1200 ++++ dpkg-gensymbolsoKmlkI 2025-03-22 21:23:26.837849974 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3715,16 +3751,16 @@ dh_shlibdeps -a dh_installdeb dh_gencontrol -dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined +dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined dh_md5sums dh_builddeb -dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-4_i386.deb'. dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-4_i386.deb'. +dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-4_i386.deb'. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-4_i386.deb'. -dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-4_i386.deb'. dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-4_i386.deb'. +dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-4_i386.deb'. dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-4_i386.deb'. dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-4_i386.buildinfo @@ -3734,12 +3770,14 @@ 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/24561/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/24561/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/123616 and its subdirectories -I: Current time: Fri Apr 24 01:43:23 -12 2026 -I: pbuilder-time-stamp: 1777038203 +I: removing directory /srv/workspace/pbuilder/24561 and its subdirectories +I: Current time: Sat Mar 22 21:23:34 +14 2025 +I: pbuilder-time-stamp: 1742628214