Diff of the two buildlogs: -- --- b1/build.log 2025-04-26 06:58:58.899740542 +0000 +++ b2/build.log 2025-04-26 07:04:40.352491522 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Fri Apr 25 18:42:23 -12 2025 -I: pbuilder-time-stamp: 1745649743 +I: Current time: Sat Apr 26 20:59:12 +14 2025 +I: pbuilder-time-stamp: 1745650752 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -22,52 +22,84 @@ dpkg-source: info: unpacking chemps2_1.8.12-4.debian.tar.xz I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3569/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/11743/tmp/hooks/D01_modify_environment starting +debug: Running on virt64a. +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 Apr 26 06:59 /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/11743/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/11743/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='armhf' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=3 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='armhf' + 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]="arm-unknown-linux-gnueabihf") + 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=armhf + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=4 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=arm + HOST_ARCH=armhf IFS=' ' - INVOCATION_ID='a028ca5ef154432096567be4cf7b0b46' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='3569' - PS1='# ' - PS2='> ' + INVOCATION_ID=99695b5409824a3f969144db0b8e766a + LANG=C + LANGUAGE=it_CH:it + LC_ALL=C + MACHTYPE=arm-unknown-linux-gnueabihf + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnueabihf + 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=11743 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.jJBLmzwH/pbuilderrc_Mivl --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.jJBLmzwH/b1 --logfile b1/build.log chemps2_1.8.12-4.dsc' - SUDO_GID='113' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://10.0.0.15:3142/' + 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.jJBLmzwH/pbuilderrc_1QIm --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.jJBLmzwH/b2 --logfile b2/build.log chemps2_1.8.12-4.dsc' + SUDO_GID=114 + SUDO_UID=108 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://10.0.0.15:3142/ I: uname -a - Linux wbq0 6.1.0-33-armmp #1 SMP Debian 6.1.133-1 (2025-04-10) armv7l GNU/Linux + Linux i-capture-the-hostname 6.1.0-33-arm64 #1 SMP Debian 6.1.133-1 (2025-04-10) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3569/tmp/hooks/D02_print_environment finished +I: user script /srv/workspace/pbuilder/11743/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -306,7 +338,7 @@ Get: 171 http://deb.debian.org/debian unstable/main armhf python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 172 http://deb.debian.org/debian unstable/main armhf sphinx-common all 8.1.3-5 [617 kB] Get: 173 http://deb.debian.org/debian unstable/main armhf python3-sphinx all 8.1.3-5 [468 kB] -Fetched 84.0 MB in 7s (12.3 MB/s) +Fetched 84.0 MB in 2s (40.4 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:armhf. (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 ... 19565 files and directories currently installed.) @@ -866,8 +898,8 @@ Setting up tzdata (2025b-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Sat Apr 26 06:44:53 UTC 2025. -Universal Time is now: Sat Apr 26 06:44:53 UTC 2025. +Local time is now: Sat Apr 26 07:00:10 UTC 2025. +Universal Time is now: Sat Apr 26 07:00:10 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20240727.1) ... @@ -1040,7 +1072,11 @@ 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/11743/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/11743/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 @@ -1109,8 +1145,8 @@ -- HDF5 detected. -- Found TargetHDF5: Found HDF5: /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so;/usr/lib/arm-linux-gnueabihf/libcrypto.so;/usr/lib/arm-linux-gnueabihf/libcurl.so;/usr/lib/arm-linux-gnueabihf/libpthread.a;/usr/lib/arm-linux-gnueabihf/libsz.so;/usr/lib/arm-linux-gnueabihf/libz.so;/usr/lib/arm-linux-gnueabihf/libdl.a;/usr/lib/arm-linux-gnueabihf/libm.so (found version 1.14.5) (found version "1.14.5") -- Found Sphinx: /usr/bin/sphinx-build --- Configuring done (20.8s) --- Generating done (0.6s) +-- Configuring done (6.1s) +-- Generating done (0.2s) CMake Warning: Manually-specified variables were not used by the project: @@ -1124,7 +1160,7 @@ debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12' dh_auto_build -- VERBOSE=1 - cd obj-arm-linux-gnueabihf && make -j3 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 + cd obj-arm-linux-gnueabihf && make -j4 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' /usr/bin/cmake -S/build/reproducible-path/chemps2-1.8.12 -B/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CMakeFiles /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf//CMakeFiles/progress.marks @@ -1136,13 +1172,13 @@ make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' 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-arm-linux-gnueabihf' -[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o [ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o [ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o +[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o +[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASPT2.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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 -[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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 [ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFpt2.cpp @@ -1157,8 +1193,8 @@ [ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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 -[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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 @@ -1201,8 +1237,8 @@ [ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams1.cpp [ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams2.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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 @@ -1266,14 +1302,14 @@ cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' -make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build +make -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-arm-linux-gnueabihf' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' -[ 67%] Linking CXX static library libchemps2.a [ 67%] Linking CXX shared library libchemps2.so -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake +[ 67%] Linking CXX static library libchemps2.a cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-static.dir/link.txt --verbose=1 /usr/bin/ar qc libchemps2.a "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o" /usr/bin/ranlib libchemps2.a @@ -1286,88 +1322,85 @@ make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/depend make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test1.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test2.dir/DependInfo.cmake "--color=" +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' -make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' -[ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -[ 70%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o -[ 70%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' +[ 71%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o +[ 71%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o +[ 71%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o +[ 71%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/tests/tests/test2.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/executable.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test1.dir/tests/test1.cpp.o -MF CMakeFiles/test1.dir/tests/test1.cpp.o.d -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/tests/test1.cpp -[ 71%] Linking CXX executable test2 +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test3.dir/tests/test3.cpp.o -MF CMakeFiles/test3.dir/tests/test3.cpp.o.d -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/tests/test3.cpp +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/executable.cpp +[ 72%] Linking CXX executable test2 cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 -[ 72%] Linking CXX executable test1 +[ 73%] Linking CXX executable test3 +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 +[ 75%] Linking CXX executable test1 cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test2.dir/link.d CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 72%] Built target test2 -make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' -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-arm-linux-gnueabihf' -[ 73%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test3.dir/tests/test3.cpp.o -MF CMakeFiles/test3.dir/tests/test3.cpp.o.d -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/tests/test3.cpp -[ 75%] Linking CXX executable chemps2 +[ 76%] Linking CXX executable chemps2 cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test2.dir/link.d CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 75%] Built target test1 +[ 76%] Built target test2 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-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' 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-arm-linux-gnueabihf' -[ 76%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o +[ 77%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test4.dir/tests/test4.cpp.o -MF CMakeFiles/test4.dir/tests/test4.cpp.o.d -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/tests/test4.cpp -[ 77%] Linking CXX executable test3 -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 -[ 78%] Linking CXX executable test4 -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/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 -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test3.dir/link.d CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 78%] Built target test3 +[ 77%] Built target test3 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-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' -[ 79%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o +[ 78%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test5.dir/tests/test5.cpp.o -MF CMakeFiles/test5.dir/tests/test5.cpp.o.d -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/tests/test5.cpp -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test4.dir/link.d CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 79%] Built target test4 +[ 78%] Built target test1 make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' -[ 80%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o +[ 79%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/tests/tests/test6.cpp +[ 80%] Linking CXX executable test4 +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 [ 81%] Linking CXX executable test5 cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 [ 82%] Linking CXX executable test6 cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test5.dir/link.d CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test4.dir/link.d CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 82%] Built target test5 +[ 82%] Built target test4 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-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test7.dir/DependInfo.cmake "--color=" @@ -1376,9 +1409,9 @@ make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' [ 83%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/tests/tests/test7.cpp -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test6.dir/link.d CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test5.dir/link.d CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 83%] Built target test6 +[ 83%] Built target test5 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-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test8.dir/DependInfo.cmake "--color=" @@ -1387,9 +1420,9 @@ make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' [ 84%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test8.dir/tests/test8.cpp.o -MF CMakeFiles/test8.dir/tests/test8.cpp.o.d -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/tests/test8.cpp -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/chemps2-bin.dir/link.d "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test6.dir/link.d CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 84%] Built target chemps2-bin +[ 84%] Built target test6 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-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test9.dir/DependInfo.cmake "--color=" @@ -1402,22 +1435,22 @@ cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 [ 88%] Linking CXX executable test8 cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test8.dir/link.txt --verbose=1 -[ 89%] Linking CXX executable test9 -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test8.dir/link.d CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/chemps2-bin.dir/link.d "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 89%] Built target test8 +[ 88%] Built target chemps2-bin make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test10.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' 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-arm-linux-gnueabihf' -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test7.dir/link.d CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' +[ 90%] Linking CXX executable test9 [ 90%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/tests/tests/test10.cpp -[ 90%] Built target test7 +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test8.dir/link.d CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' +[ 90%] Built target test8 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-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test11.dir/DependInfo.cmake "--color=" @@ -1426,9 +1459,9 @@ make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' [ 91%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test11.dir/tests/test11.cpp.o -MF CMakeFiles/test11.dir/tests/test11.cpp.o.d -o CMakeFiles/test11.dir/tests/test11.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/tests/test11.cpp -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test9.dir/link.d CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test7.dir/link.d CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 91%] Built target test9 +[ 91%] Built target test7 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-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test12.dir/DependInfo.cmake "--color=" @@ -1437,44 +1470,47 @@ make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' [ 92%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/tests/tests/test12.cpp -[ 93%] Linking CXX executable test10 -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 -[ 94%] Linking CXX executable test11 -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 -[ 95%] Linking CXX executable test12 -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test12.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test10.dir/link.d CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test9.dir/link.d CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 95%] Built target test10 +[ 92%] Built target test9 make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test13.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' 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-arm-linux-gnueabihf' -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test11.dir/link.d CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[ 96%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o +[ 93%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/tests/tests/test13.cpp -[ 96%] Built target test11 +[ 94%] Linking CXX executable test10 +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 +[ 96%] Linking CXX executable test11 +[ 96%] Linking CXX executable test12 +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test12.dir/link.txt --verbose=1 +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/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 -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test10.dir/link.d CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' +[ 96%] Built target test10 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-arm-linux-gnueabihf' cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf && /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-arm-linux-gnueabihf /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests/CMakeFiles/test14.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test12.dir/link.d CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf' 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-arm-linux-gnueabihf' -[ 96%] Built target test12 [ 97%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -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-arm-linux-gnueabihf/tests/tests/test14.cpp [ 98%] Linking CXX executable test13 cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test13.dir/link.txt --verbose=1 -[100%] Linking CXX executable test14 -cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test12.dir/link.d CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' +[ 98%] Built target test12 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test11.dir/link.d CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' +[ 98%] Built target test11 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test13.dir/link.d CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' -[100%] Built target test13 +[ 98%] Built target test13 +[100%] Linking CXX executable test14 +cd /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test14.dir/link.d CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/arm-linux-gnueabihf/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-arm-linux-gnueabihf' [100%] Built target test14 @@ -1543,11 +1579,11 @@ preparing documents... done copying assets... copying static files... -Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/documentation_options.js -Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/language_data.js Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/basic.css -Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/sidebar.js +Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/language_data.js +Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/documentation_options.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 copying static files: done copying extra files... copying extra files: done @@ -1595,16 +1631,16 @@ cd obj-arm-linux-gnueabihf/ && ctest -R "^test3|^test5|^test8" Test project /build/reproducible-path/chemps2-1.8.12/obj-arm-linux-gnueabihf Start 3: test3 -1/3 Test #3: test3 ............................ Passed 6.25 sec +1/3 Test #3: test3 ............................ Passed 2.06 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 11.38 sec +2/3 Test #5: test5 ............................ Passed 4.25 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 9.47 sec +3/3 Test #8: test8 ............................ Passed 3.63 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 27.14 sec -cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-armv7l-cpython-313:.. \ +Total Test time (real) = 9.94 sec +cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-aarch64-cpython-313:.. \ LD_LIBRARY_PATH=../../obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial \ python3 test1.py CheMPS2::Hamiltonian : Reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP @@ -1628,156 +1664,156 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 11 -Energy at sites (8, 9) is -97.050203322084 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (7, 8) is -106.852280598991 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (6, 7) is -106.892782552149 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (5, 6) is -106.909084319363 - Stats: nIt(DAVIDSON) = 40 -Energy at sites (4, 5) is -107.632699218311 - Stats: nIt(DAVIDSON) = 27 -Energy at sites (3, 4) is -107.647992904789 +Energy at sites (8, 9) is -102.809284452935 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (7, 8) is -106.852140777332 + Stats: nIt(DAVIDSON) = 56 +Energy at sites (6, 7) is -106.878518830451 + Stats: nIt(DAVIDSON) = 76 +Energy at sites (5, 6) is -106.907262663415 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (4, 5) is -107.632576365424 + Stats: nIt(DAVIDSON) = 29 +Energy at sites (3, 4) is -107.648028597737 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647992904789 +Energy at sites (2, 3) is -107.648028597737 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647992904789 +Energy at sites (1, 2) is -107.648028597737 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.533392 seconds -*** |--> S.join = 0.002354 seconds -*** |--> S.solve = 2.268093 seconds -*** |--> S.split = 0.006056 seconds -*** |--> Tensor update = 0.253739 seconds -*** |--> create = 0.074171 seconds -*** |--> destroy = 0.005428 seconds -*** |--> disk write = 0.081765 seconds -*** |--> disk read = 0.064418 seconds -*** |--> calc = 0.027692 seconds -*** Disk write bandwidth = 7.16639623535246 MB/s -*** Disk read bandwidth = 9.1270146661138 MB/s -*** Minimum energy = -107.647992904789 +*** Elapsed wall time = 1.045338 seconds +*** |--> S.join = 0.00131 seconds +*** |--> S.solve = 0.94742 seconds +*** |--> S.split = 0.003005 seconds +*** |--> Tensor update = 0.092144 seconds +*** |--> create = 0.02951 seconds +*** |--> destroy = 0.001921 seconds +*** |--> disk write = 0.027849 seconds +*** |--> disk read = 0.021429 seconds +*** |--> calc = 0.011364 seconds +*** Disk write bandwidth = 21.0406258100325 MB/s +*** Disk read bandwidth = 27.4368393654262 MB/s +*** Minimum energy = -107.648028597737 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.647992904789 +Energy at sites (0, 1) is -107.648028597737 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647992904789 +Energy at sites (1, 2) is -107.648028597737 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647992904789 +Energy at sites (2, 3) is -107.648028597737 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.647992904789 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.648020643901 +Energy at sites (3, 4) is -107.648028597737 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.648057315959 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250508966 +Energy at sites (5, 6) is -107.648250600091 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250508966 +Energy at sites (6, 7) is -107.64825060009 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250508966 +Energy at sites (7, 8) is -107.64825060009 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.516129 seconds -*** |--> S.join = 0.002232 seconds -*** |--> S.solve = 0.248855 seconds -*** |--> S.split = 0.005761 seconds -*** |--> Tensor update = 0.255801 seconds -*** |--> create = 0.076485 seconds -*** |--> destroy = 0.005778 seconds -*** |--> disk write = 0.081937 seconds -*** |--> disk read = 0.064499 seconds -*** |--> calc = 0.026798 seconds -*** Disk write bandwidth = 7.17556208747841 MB/s -*** Disk read bandwidth = 9.08479803072286 MB/s -*** Minimum energy = -107.648250508966 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250508966 +*** Elapsed wall time = 0.201493 seconds +*** |--> S.join = 0.001263 seconds +*** |--> S.solve = 0.103823 seconds +*** |--> S.split = 0.00278 seconds +*** |--> Tensor update = 0.092139 seconds +*** |--> create = 0.029836 seconds +*** |--> destroy = 0.002216 seconds +*** |--> disk write = 0.027811 seconds +*** |--> disk read = 0.021139 seconds +*** |--> calc = 0.011069 seconds +*** Disk write bandwidth = 21.1407008292301 MB/s +*** Disk read bandwidth = 27.7193996018541 MB/s +*** Minimum energy = -107.648250600091 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.64825060009 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250508966 +Energy at sites (8, 9) is -107.64825060009 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250508966 +Energy at sites (7, 8) is -107.64825060009 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250508966 +Energy at sites (6, 7) is -107.64825060009 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250508966 +Energy at sites (5, 6) is -107.64825060009 Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.648250877251 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.648250972585 +Energy at sites (4, 5) is -107.648250871991 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.648250972638 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972585 +Energy at sites (2, 3) is -107.648250972638 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972585 +Energy at sites (1, 2) is -107.648250972638 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.406638 seconds -*** |--> S.join = 0.002313 seconds -*** |--> S.solve = 0.140623 seconds -*** |--> S.split = 0.006917 seconds -*** |--> Tensor update = 0.254968 seconds -*** |--> create = 0.074931 seconds -*** |--> destroy = 0.005652 seconds -*** |--> disk write = 0.081371 seconds -*** |--> disk read = 0.064951 seconds -*** |--> calc = 0.027788 seconds -*** Disk write bandwidth = 7.20109606842233 MB/s -*** Disk read bandwidth = 9.05211668429614 MB/s -*** Minimum energy = -107.648250972585 +*** Elapsed wall time = 0.151805 seconds +*** |--> S.join = 0.001276 seconds +*** |--> S.solve = 0.053913 seconds +*** |--> S.split = 0.002726 seconds +*** |--> Tensor update = 0.092444 seconds +*** |--> create = 0.030192 seconds +*** |--> destroy = 0.002015 seconds +*** |--> disk write = 0.027449 seconds +*** |--> disk read = 0.021452 seconds +*** |--> calc = 0.01121 seconds +*** Disk write bandwidth = 21.3472399061384 MB/s +*** Disk read bandwidth = 27.4074226534458 MB/s +*** Minimum energy = -107.648250972638 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250972585 +Energy at sites (0, 1) is -107.648250972638 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972585 +Energy at sites (1, 2) is -107.648250972638 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972585 +Energy at sites (2, 3) is -107.648250972638 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250972585 +Energy at sites (3, 4) is -107.648250972638 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.648250972671 +Energy at sites (4, 5) is -107.64825097273 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.648250974003 +Energy at sites (5, 6) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250974003 +Energy at sites (6, 7) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250974003 +Energy at sites (7, 8) is -107.648250973999 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.368717 seconds -*** |--> S.join = 0.002373 seconds -*** |--> S.solve = 0.102694 seconds -*** |--> S.split = 0.006063 seconds -*** |--> Tensor update = 0.255981 seconds -*** |--> create = 0.076646 seconds -*** |--> destroy = 0.00566 seconds -*** |--> disk write = 0.08183 seconds -*** |--> disk read = 0.064541 seconds -*** |--> calc = 0.026983 seconds -*** Disk write bandwidth = 7.18494477284271 MB/s -*** Disk read bandwidth = 9.07888610625174 MB/s -*** Minimum energy = -107.648250974003 +*** Elapsed wall time = 0.13832 seconds +*** |--> S.join = 0.001444 seconds +*** |--> S.solve = 0.040889 seconds +*** |--> S.split = 0.002869 seconds +*** |--> Tensor update = 0.092406 seconds +*** |--> create = 0.029997 seconds +*** |--> destroy = 0.002069 seconds +*** |--> disk write = 0.027766 seconds +*** |--> disk read = 0.021512 seconds +*** |--> calc = 0.011002 seconds +*** Disk write bandwidth = 21.1749632918576 MB/s +*** Disk read bandwidth = 27.2387685098361 MB/s +*** Minimum energy = -107.648250973999 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.65036691821297e-07 +*** Energy difference with respect to previous leftright sweep = 3.73908363826558e-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 = -107.648250974003 -*** Minimum energy encountered during the last sweep = -107.648250974003 +*** 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 -107.648250974003 +Energy at sites (8, 9) is -107.648250974 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.648250974004 +Energy at sites (7, 8) is -107.648250974 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250974006 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.648250974006 +Energy at sites (6, 7) is -107.648250974002 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (5, 6) is -107.648250974002 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974009 +Energy at sites (4, 5) is -107.648250974004 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 @@ -1786,18 +1822,18 @@ Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.759006 seconds -*** |--> S.join = 0.002396 seconds -*** |--> S.solve = 0.493031 seconds -*** |--> S.split = 0.006064 seconds -*** |--> Tensor update = 0.254699 seconds -*** |--> create = 0.074676 seconds -*** |--> destroy = 0.005925 seconds -*** |--> disk write = 0.081193 seconds -*** |--> disk read = 0.064856 seconds -*** |--> calc = 0.027781 seconds -*** Disk write bandwidth = 7.21688308331499 MB/s -*** Disk read bandwidth = 9.06537607564017 MB/s +*** Elapsed wall time = 0.283067 seconds +*** |--> S.join = 0.001339 seconds +*** |--> S.solve = 0.185673 seconds +*** |--> S.split = 0.00281 seconds +*** |--> Tensor update = 0.092469 seconds +*** |--> create = 0.029737 seconds +*** |--> destroy = 0.002118 seconds +*** |--> disk write = 0.027668 seconds +*** |--> disk read = 0.021592 seconds +*** |--> calc = 0.011286 seconds +*** Disk write bandwidth = 21.1782704996239 MB/s +*** Disk read bandwidth = 27.2297161338328 MB/s *** Minimum energy = -107.648250974013 *** Maximum discarded weight = 0 ****************************************************************** @@ -1808,32 +1844,32 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250974014 - Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -107.648250974013 + Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250974014 +Energy at sites (6, 7) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250974014 +Energy at sites (7, 8) is -107.648250974013 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.515345 seconds -*** |--> S.join = 0.00244 seconds -*** |--> S.solve = 0.248072 seconds -*** |--> S.split = 0.006071 seconds -*** |--> Tensor update = 0.256445 seconds -*** |--> create = 0.076704 seconds -*** |--> destroy = 0.006099 seconds -*** |--> disk write = 0.081888 seconds -*** |--> disk read = 0.064613 seconds -*** |--> calc = 0.02688 seconds -*** Disk write bandwidth = 7.17985578792642 MB/s -*** Disk read bandwidth = 9.06876925980211 MB/s +*** Elapsed wall time = 0.199706 seconds +*** |--> S.join = 0.001352 seconds +*** |--> S.solve = 0.102951 seconds +*** |--> S.split = 0.002806 seconds +*** |--> Tensor update = 0.091885 seconds +*** |--> create = 0.03006 seconds +*** |--> destroy = 0.002191 seconds +*** |--> disk write = 0.027562 seconds +*** |--> disk read = 0.021303 seconds +*** |--> calc = 0.010705 seconds +*** Disk write bandwidth = 21.3316896728002 MB/s +*** Disk read bandwidth = 27.5060032945404 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.06581410364015e-11 +*** Energy difference with respect to previous leftright sweep = 1.47508671943797e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1847,52 +1883,52 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014 - NOON of irrep Ag = [ 1.9999953044429 , 1.99487994119078 , 1.98267954075645 ]. - NOON of irrep B2g = [ 0.0748715522923791 ]. - NOON of irrep B3g = [ 0.0748715523656109 ]. - NOON of irrep B1u = [ 1.99999681839219 , 1.98658242711893 , 0.018807971213681 ]. - NOON of irrep B2u = [ 1.933657446139 ]. - NOON of irrep B3u = [ 1.93365744608811 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009427266953 , 0.0515866780839922 , 0.0764971082815743 , 0.257716818953432 , 0.257716819058622 , 8.47155300556663e-05 , 0.0462800404246199 , 0.100736303422254 , 0.241506019690498 , 0.241506019819018 ]. - Idistance(0) = 1.3093933123131 - Idistance(1) = 5.4240299983139 - Idistance(2) = 26.735548820826 + Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 + NOON of irrep Ag = [ 1.99999530444265 , 1.99487994120531 , 1.9826795407651 ]. + NOON of irrep B2g = [ 0.0748715522307911 ]. + NOON of irrep B3g = [ 0.0748715524799371 ]. + NOON of irrep B1u = [ 1.99999681839218 , 1.98658242708318 , 0.0188079711870318 ]. + NOON of irrep B2u = [ 1.93365744608422 ]. + NOON of irrep B3u = [ 1.93365744612959 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009429543342 , 0.0515866786941465 , 0.0764971079453661 , 0.257716818858762 , 0.257716819235249 , 8.47155301678642e-05 , 0.0462800405141863 , 0.100736303276172 , 0.241506019763977 , 0.241506019756495 ]. + Idistance(0) = 1.30939331293905 + Idistance(1) = 5.42403000024319 + Idistance(2) = 26.7355488317136 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.65074 seconds -*** |--> MPS gauge change = 0.004361 seconds -*** |--> Diagram calc = 0.036436 seconds -*** |--> Tensor update = 0.60677 seconds -*** |--> create = 0.175609 seconds -*** |--> destroy = 0.013555 seconds -*** |--> disk write = 0.192054 seconds -*** |--> disk read = 0.152656 seconds -*** |--> calc = 0.071772 seconds -*** Disk write bandwidth = 6.19944417589747 MB/s -*** Disk read bandwidth = 7.79941863901722 MB/s +*** Elapsed wall time = 0.238147 seconds +*** |--> MPS gauge change = 0.001858 seconds +*** |--> Diagram calc = 0.014584 seconds +*** |--> Tensor update = 0.220136 seconds +*** |--> create = 0.0712719999999999 seconds +*** |--> destroy = 0.00500699999999999 seconds +*** |--> disk write = 0.06461 seconds +*** |--> disk read = 0.050698 seconds +*** |--> calc = 0.028271 seconds +*** Disk write bandwidth = 18.4279221754808 MB/s +*** Disk read bandwidth = 23.4847144218275 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 = 0.018809 seconds -FCI::matvec : Wall time = 0.018577 seconds -FCI::matvec : Wall time = 0.018442 seconds -FCI::matvec : Wall time = 0.01845 seconds -FCI::matvec : Wall time = 0.018414 seconds -FCI::matvec : Wall time = 0.0184730000000001 seconds -FCI::matvec : Wall time = 0.018494 seconds -FCI::matvec : Wall time = 0.018817 seconds -FCI::matvec : Wall time = 0.018719 seconds -FCI::matvec : Wall time = 0.018727 seconds -FCI::matvec : Wall time = 0.018641 seconds -FCI::matvec : Wall time = 0.018788 seconds -FCI::matvec : Wall time = 0.018623 seconds -FCI::matvec : Wall time = 0.018725 seconds -FCI::matvec : Wall time = 0.018699 seconds -FCI::matvec : Wall time = 0.018712 seconds -FCI::matvec : Wall time = 0.018777 seconds -FCI::matvec : Wall time = 0.018699 seconds +FCI::matvec : Wall time = 0.006238 seconds +FCI::matvec : Wall time = 0.006157 seconds +FCI::matvec : Wall time = 0.006189 seconds +FCI::matvec : Wall time = 0.006153 seconds +FCI::matvec : Wall time = 0.006266 seconds +FCI::matvec : Wall time = 0.006183 seconds +FCI::matvec : Wall time = 0.006153 seconds +FCI::matvec : Wall time = 0.009579 seconds +FCI::matvec : Wall time = 0.006164 seconds +FCI::matvec : Wall time = 0.006083 seconds +FCI::matvec : Wall time = 0.006223 seconds +FCI::matvec : Wall time = 0.006223 seconds +FCI::matvec : Wall time = 0.006117 seconds +FCI::matvec : Wall time = 0.006097 seconds +FCI::matvec : Wall time = 0.00623 seconds +FCI::matvec : Wall time = 0.006173 seconds +FCI::matvec : Wall time = 0.006151 seconds +FCI::matvec : Wall time = 0.006185 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 3.72255668621496e-18 and intended S(S+1) = 0 Info on DMRG::operators rm call to system: 0 @@ -1914,177 +1950,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 13 -Energy at sites (8, 9) is -103.285912751034 - Stats: nIt(DAVIDSON) = 47 -Energy at sites (7, 8) is -106.3348314723 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (6, 7) is -106.369421492921 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (8, 9) is -104.558512326881 + Stats: nIt(DAVIDSON) = 44 +Energy at sites (7, 8) is -106.326819817789 + Stats: nIt(DAVIDSON) = 42 +Energy at sites (6, 7) is -106.504962401655 Stats: nIt(DAVIDSON) = 60 -Energy at sites (5, 6) is -107.318124819601 - Stats: nIt(DAVIDSON) = 47 -Energy at sites (4, 5) is -107.325651180417 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (3, 4) is -107.328762924791 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.32876460455 +Energy at sites (5, 6) is -107.317955709437 + Stats: nIt(DAVIDSON) = 48 +Energy at sites (4, 5) is -107.326074088896 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (3, 4) is -107.32876424463 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (2, 3) is -107.328765969609 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.32876460455 +Energy at sites (1, 2) is -107.328765969609 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.668911 seconds -*** |--> S.join = 0.002811 seconds -*** |--> S.solve = 3.369848 seconds -*** |--> S.split = 0.007551 seconds -*** |--> Tensor update = 0.285397 seconds -*** |--> create = 0.085224 seconds -*** |--> destroy = 0.005722 seconds -*** |--> disk write = 0.086209 seconds -*** |--> disk read = 0.066873 seconds -*** |--> calc = 0.041094 seconds -*** Disk write bandwidth = 9.79973952405092 MB/s -*** Disk read bandwidth = 12.5790944361187 MB/s -*** Minimum energy = -107.32876460455 +*** Elapsed wall time = 1.437872 seconds +*** |--> S.join = 0.001434 seconds +*** |--> S.solve = 1.331057 seconds +*** |--> S.split = 0.003408 seconds +*** |--> Tensor update = 0.100506 seconds +*** |--> create = 0.033184 seconds +*** |--> destroy = 0.002002 seconds +*** |--> disk write = 0.028292 seconds +*** |--> disk read = 0.021477 seconds +*** |--> calc = 0.01549 seconds +*** Disk write bandwidth = 29.8609410656336 MB/s +*** Disk read bandwidth = 39.1675644748597 MB/s +*** Minimum energy = -107.328765969609 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.32876460455 +Energy at sites (0, 1) is -107.328765969609 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.32876460455 +Energy at sites (1, 2) is -107.328765969609 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.32876460455 +Energy at sites (2, 3) is -107.328765969609 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.328764606481 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328766796325 +Energy at sites (3, 4) is -107.328765971878 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.328767078828 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.328768891449 +Energy at sites (5, 6) is -107.328768894804 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891448 +Energy at sites (6, 7) is -107.328768894804 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891448 +Energy at sites (7, 8) is -107.328768894804 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.674308 seconds -*** |--> S.join = 0.002729 seconds -*** |--> S.solve = 0.373398 seconds -*** |--> S.split = 0.007115 seconds -*** |--> Tensor update = 0.287635 seconds -*** |--> create = 0.087733 seconds -*** |--> destroy = 0.005919 seconds -*** |--> disk write = 0.087477 seconds -*** |--> disk read = 0.066486 seconds -*** |--> calc = 0.03974 seconds -*** Disk write bandwidth = 9.61626235726605 MB/s -*** Disk read bandwidth = 12.7068216561217 MB/s -*** Minimum energy = -107.328768891449 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768891448 +*** Elapsed wall time = 0.240684 seconds +*** |--> S.join = 0.00135 seconds +*** |--> S.solve = 0.133782 seconds +*** |--> S.split = 0.003267 seconds +*** |--> Tensor update = 0.100754 seconds +*** |--> create = 0.034024 seconds +*** |--> destroy = 0.002213 seconds +*** |--> disk write = 0.028151 seconds +*** |--> disk read = 0.021229 seconds +*** |--> calc = 0.015068 seconds +*** Disk write bandwidth = 29.8817726626607 MB/s +*** Disk read bandwidth = 39.7958332765984 MB/s +*** Minimum energy = -107.328768894804 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.328768894804 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768891448 +Energy at sites (8, 9) is -107.328768894804 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891448 +Energy at sites (7, 8) is -107.328768894804 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891448 +Energy at sites (6, 7) is -107.328768894804 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768891449 +Energy at sites (5, 6) is -107.328768894804 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768892187 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.328768897993 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897993 +Energy at sites (4, 5) is -107.328768895406 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (3, 4) is -107.328768898007 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (2, 3) is -107.328768898016 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897993 +Energy at sites (1, 2) is -107.328768898016 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.445655 seconds -*** |--> S.join = 0.002814 seconds -*** |--> S.solve = 0.144601 seconds -*** |--> S.split = 0.006988 seconds -*** |--> Tensor update = 0.287618 seconds -*** |--> create = 0.085476 seconds -*** |--> destroy = 0.006085 seconds -*** |--> disk write = 0.087106 seconds -*** |--> disk read = 0.067172 seconds -*** |--> calc = 0.0415 seconds -*** Disk write bandwidth = 9.69882378514576 MB/s -*** Disk read bandwidth = 12.5231016230954 MB/s -*** Minimum energy = -107.328768897993 +*** Elapsed wall time = 0.159134 seconds +*** |--> S.join = 0.001477 seconds +*** |--> S.solve = 0.05272 seconds +*** |--> S.split = 0.003294 seconds +*** |--> Tensor update = 0.100939 seconds +*** |--> create = 0.033296 seconds +*** |--> destroy = 0.002166 seconds +*** |--> disk write = 0.02848 seconds +*** |--> disk read = 0.021519 seconds +*** |--> calc = 0.015417 seconds +*** Disk write bandwidth = 29.6638253029813 MB/s +*** Disk read bandwidth = 39.0911186498705 MB/s +*** Minimum energy = -107.328768898016 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897993 +Energy at sites (0, 1) is -107.328768898015 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897993 +Energy at sites (1, 2) is -107.328768898016 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897993 +Energy at sites (2, 3) is -107.328768898016 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897993 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.328768898017 +Energy at sites (3, 4) is -107.328768898016 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (4, 5) is -107.328768898015 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768898016 +Energy at sites (5, 6) is -107.328768898015 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898017 +Energy at sites (6, 7) is -107.328768898015 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768898017 +Energy at sites (7, 8) is -107.328768898015 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.409021 seconds -*** |--> S.join = 0.002727 seconds -*** |--> S.solve = 0.107461 seconds -*** |--> S.split = 0.006967 seconds -*** |--> Tensor update = 0.288265 seconds -*** |--> create = 0.087983 seconds -*** |--> destroy = 0.006191 seconds -*** |--> disk write = 0.087347 seconds -*** |--> disk read = 0.06656 seconds -*** |--> calc = 0.039908 seconds -*** Disk write bandwidth = 9.63057440125663 MB/s -*** Disk read bandwidth = 12.6926944806026 MB/s -*** Minimum energy = -107.328768898017 +*** Elapsed wall time = 0.139754 seconds +*** |--> S.join = 0.001458 seconds +*** |--> S.solve = 0.032767 seconds +*** |--> S.split = 0.003236 seconds +*** |--> Tensor update = 0.101479 seconds +*** |--> create = 0.0345 seconds +*** |--> destroy = 0.002205 seconds +*** |--> disk write = 0.028174 seconds +*** |--> disk read = 0.021397 seconds +*** |--> calc = 0.015135 seconds +*** Disk write bandwidth = 29.8573785130462 MB/s +*** Disk read bandwidth = 39.483373586433 MB/s +*** Minimum energy = -107.328768898016 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.56814336252864e-09 +*** Energy difference with respect to previous leftright sweep = 3.21136894854135e-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 = -107.328768898017 -*** Minimum energy encountered during the last sweep = -107.328768898017 +*** Minimum energy encountered during all instructions = -107.328768898016 +*** Minimum energy encountered during the last sweep = -107.328768898016 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.32876889802 +Energy at sites (8, 9) is -107.328768898017 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.328768898026 +Energy at sites (7, 8) is -107.328768898023 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.328768898031 Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -107.328768898031 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -107.328768898031 +Energy at sites (5, 6) is -107.328768898032 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.328768898032 Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -107.328768898032 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (2, 3) is -107.328768898032 +Energy at sites (3, 4) is -107.328768898033 + 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 = 1.263768 seconds -*** |--> S.join = 0.002838 seconds -*** |--> S.solve = 0.962696 seconds -*** |--> S.split = 0.006937 seconds -*** |--> Tensor update = 0.287566 seconds -*** |--> create = 0.085598 seconds -*** |--> destroy = 0.005978 seconds -*** |--> disk write = 0.087202 seconds -*** |--> disk read = 0.067253 seconds -*** |--> calc = 0.041262 seconds -*** Disk write bandwidth = 9.68814642587219 MB/s -*** Disk read bandwidth = 12.5080187088541 MB/s +*** Elapsed wall time = 0.4695 seconds +*** |--> S.join = 0.001447 seconds +*** |--> S.solve = 0.362191 seconds +*** |--> S.split = 0.003259 seconds +*** |--> Tensor update = 0.101117 seconds +*** |--> create = 0.033746 seconds +*** |--> destroy = 0.002079 seconds +*** |--> disk write = 0.028427 seconds +*** |--> disk read = 0.021415 seconds +*** |--> calc = 0.015386 seconds +*** Disk write bandwidth = 29.7191312705845 MB/s +*** Disk read bandwidth = 39.2809611126109 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -2094,11 +2130,11 @@ Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 7 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328768898033 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898033 @@ -2106,21 +2142,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.731363 seconds -*** |--> S.join = 0.002721 seconds -*** |--> S.solve = 0.428709 seconds -*** |--> S.split = 0.007179 seconds -*** |--> Tensor update = 0.289155 seconds -*** |--> create = 0.087933 seconds -*** |--> destroy = 0.005916 seconds -*** |--> disk write = 0.08874 seconds -*** |--> disk read = 0.066429 seconds -*** |--> calc = 0.039819 seconds -*** Disk write bandwidth = 9.47939804176879 MB/s -*** Disk read bandwidth = 12.7177248585543 MB/s +*** Elapsed wall time = 0.241126 seconds +*** |--> S.join = 0.001489 seconds +*** |--> S.solve = 0.134733 seconds +*** |--> S.split = 0.003359 seconds +*** |--> Tensor update = 0.100826 seconds +*** |--> create = 0.03392 seconds +*** |--> destroy = 0.002189 seconds +*** |--> disk write = 0.028295 seconds +*** |--> disk read = 0.021275 seconds +*** |--> calc = 0.015077 seconds +*** Disk write bandwidth = 29.7296971983235 MB/s +*** Disk read bandwidth = 39.709788231676 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.60298441187479e-11 +*** Energy difference with respect to previous leftright sweep = 1.70814473676728e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2135,50 +2171,50 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 - NOON of irrep Ag = [ 1.99999672240985 , 1.99571463013877 , 1.98497373605965 ]. - NOON of irrep B2g = [ 0.538989905120593 ]. - NOON of irrep B3g = [ 0.538989904957878 ]. - NOON of irrep B1u = [ 1.99999702947252 , 1.99149890562682 , 0.019469066834172 ]. - NOON of irrep B2u = [ 1.46518504977235 ]. - NOON of irrep B3u = [ 1.46518504960739 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862745254489 , 0.058708937349316 , 0.0554792809779229 , 1.11957630007567 , 1.11957629999183 , 8.5279748059251e-05 , 0.0421718621320293 , 0.105000352889371 , 1.11261995848249 , 1.1126199585696 ]. - Idistance(0) = 4.60188108187889 - Idistance(1) = 17.7825010798812 - Idistance(2) = 85.6947708229834 + NOON of irrep Ag = [ 1.99999672241064 , 1.99571463015583 , 1.98497373602717 ]. + NOON of irrep B2g = [ 0.538989905052199 ]. + NOON of irrep B3g = [ 0.538989905026861 ]. + NOON of irrep B1u = [ 1.99999702947247 , 1.9914989056237 , 0.0194690668519955 ]. + NOON of irrep B2u = [ 1.46518504970278 ]. + NOON of irrep B3u = [ 1.46518504967635 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862740382751 , 0.0587089373178809 , 0.0554792811077369 , 1.1195763000419 , 1.11957630002953 , 8.52797482457076e-05 , 0.042171862156012 , 0.10500035294153 , 1.1126199585211 , 1.11261995853519 ]. + Idistance(0) = 4.60188108203477 + Idistance(1) = 17.7825010800396 + Idistance(2) = 85.6947708218781 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.744724 seconds -*** |--> MPS gauge change = 0.004165 seconds -*** |--> Diagram calc = 0.045466 seconds -*** |--> Tensor update = 0.687635 seconds -*** |--> create = 0.204636 seconds -*** |--> destroy = 0.014862 seconds -*** |--> disk write = 0.204854 seconds -*** |--> disk read = 0.157322 seconds -*** |--> calc = 0.104805 seconds -*** Disk write bandwidth = 8.3617797590563 MB/s -*** Disk read bandwidth = 10.8881404429242 MB/s +*** Elapsed wall time = 0.263654 seconds +*** |--> MPS gauge change = 0.00223800000000008 seconds +*** |--> Diagram calc = 0.017091 seconds +*** |--> Tensor update = 0.242733 seconds +*** |--> create = 0.082159 seconds +*** |--> destroy = 0.00513699999999999 seconds +*** |--> disk write = 0.065704 seconds +*** |--> disk read = 0.050568 seconds +*** |--> calc = 0.038832 seconds +*** Disk write bandwidth = 26.0706202173645 MB/s +*** Disk read bandwidth = 33.8740711667798 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 = 0.013749 seconds -FCI::matvec : Wall time = 0.013474 seconds -FCI::matvec : Wall time = 0.013447 seconds -FCI::matvec : Wall time = 0.01347 seconds -FCI::matvec : Wall time = 0.013417 seconds -FCI::matvec : Wall time = 0.013439 seconds -FCI::matvec : Wall time = 0.01343 seconds -FCI::matvec : Wall time = 0.013487 seconds -FCI::matvec : Wall time = 0.013497 seconds -FCI::matvec : Wall time = 0.013811 seconds -FCI::matvec : Wall time = 0.01364 seconds -FCI::matvec : Wall time = 0.013649 seconds -FCI::matvec : Wall time = 0.013577 seconds -FCI::matvec : Wall time = 0.013615 seconds -FCI::matvec : Wall time = 0.013626 seconds -FCI::matvec : Wall time = 0.013657 seconds -FCI::matvec : Wall time = 0.013626 seconds +FCI::matvec : Wall time = 0.004855 seconds +FCI::matvec : Wall time = 0.004776 seconds +FCI::matvec : Wall time = 0.004766 seconds +FCI::matvec : Wall time = 0.004847 seconds +FCI::matvec : Wall time = 0.004759 seconds +FCI::matvec : Wall time = 0.004855 seconds +FCI::matvec : Wall time = 0.004784 seconds +FCI::matvec : Wall time = 0.004788 seconds +FCI::matvec : Wall time = 0.004764 seconds +FCI::matvec : Wall time = 0.004761 seconds +FCI::matvec : Wall time = 0.004788 seconds +FCI::matvec : Wall time = 0.004797 seconds +FCI::matvec : Wall time = 0.004807 seconds +FCI::matvec : Wall time = 0.004798 seconds +FCI::matvec : Wall time = 0.004802 seconds +FCI::matvec : Wall time = 0.004775 seconds +FCI::matvec : Wall time = 0.004793 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898033 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -2200,177 +2236,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 13 -Energy at sites (8, 9) is -102.773965689556 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (7, 8) is -106.983757613935 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (6, 7) is -106.994523278793 Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -106.995284577259 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (4, 5) is -106.997256372438 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (3, 4) is -106.999366311358 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (2, 3) is -107.007879148341 +Energy at sites (8, 9) is -100.952861107997 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (7, 8) is -106.983360396447 + Stats: nIt(DAVIDSON) = 22 +Energy at sites (6, 7) is -106.994493092729 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (5, 6) is -106.994844758924 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (4, 5) is -106.997283703123 + Stats: nIt(DAVIDSON) = 23 +Energy at sites (3, 4) is -106.999264429592 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (2, 3) is -107.007871447542 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007879148341 +Energy at sites (1, 2) is -107.007871447542 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.957646 seconds -*** |--> S.join = 0.001978 seconds -*** |--> S.solve = 0.722556 seconds -*** |--> S.split = 0.004024 seconds -*** |--> Tensor update = 0.225601 seconds -*** |--> create = 0.069252 seconds -*** |--> destroy = 0.00556 seconds -*** |--> disk write = 0.071194 seconds -*** |--> disk read = 0.061213 seconds -*** |--> calc = 0.018115 seconds -*** Disk write bandwidth = 2.74306278361107 MB/s -*** Disk read bandwidth = 3.17263061429711 MB/s -*** Minimum energy = -107.007879148341 +*** Elapsed wall time = 0.350417 seconds +*** |--> S.join = 0.001111 seconds +*** |--> S.solve = 0.265374 seconds +*** |--> S.split = 0.00204 seconds +*** |--> Tensor update = 0.081158 seconds +*** |--> create = 0.026656 seconds +*** |--> destroy = 0.001867 seconds +*** |--> disk write = 0.025138 seconds +*** |--> disk read = 0.020272 seconds +*** |--> calc = 0.007158 seconds +*** Disk write bandwidth = 7.76870124180151 MB/s +*** Disk read bandwidth = 9.58002356910856 MB/s +*** Minimum energy = -107.007871447542 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007879148341 +Energy at sites (0, 1) is -107.007871447542 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007879148341 +Energy at sites (1, 2) is -107.007871447542 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007879148341 +Energy at sites (2, 3) is -107.007871447542 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007879763153 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.007882422258 +Energy at sites (3, 4) is -107.007872058354 Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -107.007920336642 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.007920337394 +Energy at sites (4, 5) is -107.007876632011 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (5, 6) is -107.007920323024 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (6, 7) is -107.007920327425 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920337394 +Energy at sites (7, 8) is -107.007920327425 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.451123 seconds -*** |--> S.join = 0.001921 seconds -*** |--> S.solve = 0.212597 seconds -*** |--> S.split = 0.003953 seconds -*** |--> Tensor update = 0.229178 seconds -*** |--> create = 0.070657 seconds -*** |--> destroy = 0.005677 seconds -*** |--> disk write = 0.072664 seconds -*** |--> disk read = 0.061233 seconds -*** |--> calc = 0.018647 seconds -*** Disk write bandwidth = 2.67266098471002 MB/s -*** Disk read bandwidth = 3.18928701543949 MB/s -*** Minimum energy = -107.007920337394 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920337394 +*** Elapsed wall time = 0.172687 seconds +*** |--> S.join = 0.001047 seconds +*** |--> S.solve = 0.086525 seconds +*** |--> S.split = 0.002095 seconds +*** |--> Tensor update = 0.082338 seconds +*** |--> create = 0.027319 seconds +*** |--> destroy = 0.001942 seconds +*** |--> disk write = 0.025447 seconds +*** |--> disk read = 0.020311 seconds +*** |--> calc = 0.007261 seconds +*** Disk write bandwidth = 7.63179305194989 MB/s +*** Disk read bandwidth = 9.6149678408944 MB/s +*** Minimum energy = -107.007920327425 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.007920327425 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920337394 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920337394 +Energy at sites (8, 9) is -107.007920327425 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920337394 +Energy at sites (7, 8) is -107.007920327425 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.007920337394 +Energy at sites (6, 7) is -107.007920327425 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (5, 6) is -107.007920327504 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920350743 +Energy at sites (4, 5) is -107.00792034763 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.007920388464 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.007920596401 +Energy at sites (3, 4) is -107.007920399536 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -107.007920596743 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596401 +Energy at sites (1, 2) is -107.007920596743 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.319948 seconds -*** |--> S.join = 0.001953 seconds -*** |--> S.solve = 0.082973 seconds -*** |--> S.split = 0.004012 seconds -*** |--> Tensor update = 0.227564 seconds -*** |--> create = 0.069558 seconds -*** |--> destroy = 0.005607 seconds -*** |--> disk write = 0.072302 seconds -*** |--> disk read = 0.061624 seconds -*** |--> calc = 0.018205 seconds -*** Disk write bandwidth = 2.70102641443399 MB/s -*** Disk read bandwidth = 3.15147081969636 MB/s -*** Minimum energy = -107.007920596401 +*** Elapsed wall time = 0.120284 seconds +*** |--> S.join = 0.001072 seconds +*** |--> S.solve = 0.034314 seconds +*** |--> S.split = 0.002221 seconds +*** |--> Tensor update = 0.081935 seconds +*** |--> create = 0.027283 seconds +*** |--> destroy = 0.001941 seconds +*** |--> disk write = 0.025074 seconds +*** |--> disk read = 0.020435 seconds +*** |--> calc = 0.007134 seconds +*** Disk write bandwidth = 7.78853042260534 MB/s +*** Disk read bandwidth = 9.50360840680053 MB/s +*** Minimum energy = -107.007920596743 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596401 +Energy at sites (0, 1) is -107.007920596743 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596401 +Energy at sites (1, 2) is -107.007920596743 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596401 +Energy at sites (2, 3) is -107.007920596743 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.007920596528 +Energy at sites (3, 4) is -107.007920596849 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920596555 +Energy at sites (4, 5) is -107.007920596902 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.007920599375 +Energy at sites (5, 6) is -107.007920599393 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920599375 +Energy at sites (6, 7) is -107.007920599393 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920599375 +Energy at sites (7, 8) is -107.007920599393 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.323047 seconds -*** |--> S.join = 0.006226 seconds -*** |--> S.solve = 0.078963 seconds -*** |--> S.split = 0.004107 seconds -*** |--> Tensor update = 0.230165 seconds -*** |--> create = 0.071291 seconds -*** |--> destroy = 0.005643 seconds -*** |--> disk write = 0.072857 seconds -*** |--> disk read = 0.061394 seconds -*** |--> calc = 0.018716 seconds -*** Disk write bandwidth = 2.66558103947416 MB/s -*** Disk read bandwidth = 3.18092340972092 MB/s -*** Minimum energy = -107.007920599375 +*** Elapsed wall time = 0.113265 seconds +*** |--> S.join = 0.001173 seconds +*** |--> S.solve = 0.026883 seconds +*** |--> S.split = 0.002074 seconds +*** |--> Tensor update = 0.082422 seconds +*** |--> create = 0.027457 seconds +*** |--> destroy = 0.001957 seconds +*** |--> disk write = 0.025309 seconds +*** |--> disk read = 0.020359 seconds +*** |--> calc = 0.007273 seconds +*** Disk write bandwidth = 7.67340621095139 MB/s +*** Disk read bandwidth = 9.59229882687785 MB/s +*** Minimum energy = -107.007920599393 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.61981000448941e-07 +*** Energy difference with respect to previous leftright sweep = 2.71967280696117e-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 = -107.007920599375 -*** Minimum energy encountered during the last sweep = -107.007920599375 +*** Minimum energy encountered during all instructions = -107.007920599393 +*** Minimum energy encountered during the last sweep = -107.007920599393 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.007920599381 +Energy at sites (8, 9) is -107.007920599396 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599386 +Energy at sites (7, 8) is -107.007920599399 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.007920599391 +Energy at sites (6, 7) is -107.007920599402 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.007920599391 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.007920599391 +Energy at sites (5, 6) is -107.007920599402 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.007920599403 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599392 +Energy at sites (3, 4) is -107.007920599403 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 = 0.698772 seconds -*** |--> S.join = 0.00194 seconds -*** |--> S.solve = 0.461549 seconds -*** |--> S.split = 0.004011 seconds -*** |--> Tensor update = 0.227843 seconds -*** |--> create = 0.069449 seconds -*** |--> destroy = 0.005744 seconds -*** |--> disk write = 0.072359 seconds -*** |--> disk read = 0.061761 seconds -*** |--> calc = 0.018261 seconds -*** Disk write bandwidth = 2.69889871082251 MB/s -*** Disk read bandwidth = 3.14448013783729 MB/s +*** Elapsed wall time = 0.251635 seconds +*** |--> S.join = 0.0011 seconds +*** |--> S.solve = 0.166136 seconds +*** |--> S.split = 0.002064 seconds +*** |--> Tensor update = 0.081645 seconds +*** |--> create = 0.026695 seconds +*** |--> destroy = 0.002004 seconds +*** |--> disk write = 0.025233 seconds +*** |--> disk read = 0.02047 seconds +*** |--> calc = 0.007181 seconds +*** Disk write bandwidth = 7.73945277281363 MB/s +*** Disk read bandwidth = 9.48735895422417 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2382,7 +2418,7 @@ Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599438 @@ -2392,21 +2428,21 @@ Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.565737 seconds -*** |--> S.join = 0.001859 seconds -*** |--> S.solve = 0.327086 seconds -*** |--> S.split = 0.004018 seconds -*** |--> Tensor update = 0.229272 seconds -*** |--> create = 0.070591 seconds -*** |--> destroy = 0.005589 seconds -*** |--> disk write = 0.072861 seconds -*** |--> disk read = 0.061348 seconds -*** |--> calc = 0.018626 seconds -*** Disk write bandwidth = 2.66543470159576 MB/s -*** Disk read bandwidth = 3.1833085319229 MB/s +*** Elapsed wall time = 0.208821 seconds +*** |--> S.join = 0.001119 seconds +*** |--> S.solve = 0.122497 seconds +*** |--> S.split = 0.002003 seconds +*** |--> Tensor update = 0.082513 seconds +*** |--> create = 0.027705 seconds +*** |--> destroy = 0.001939 seconds +*** |--> disk write = 0.025368 seconds +*** |--> disk read = 0.020277 seconds +*** |--> calc = 0.00716 seconds +*** Disk write bandwidth = 7.65555967332737 MB/s +*** Disk read bandwidth = 9.6310899943979 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.32951469015097e-11 +*** Energy difference with respect to previous leftright sweep = 4.61284344055457e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2421,45 +2457,45 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 - NOON of irrep Ag = [ 1.99999761728296 , 1.99817458741227 , 1.99099529627238 ]. - NOON of irrep B2g = [ 0.999157310906946 ]. - NOON of irrep B3g = [ 0.999157311033773 ]. - NOON of irrep B1u = [ 1.99999763398171 , 1.99356772575467 , 0.0151843201171642 ]. - NOON of irrep B2u = [ 1.00188409853939 ]. - NOON of irrep B3u = [ 1.00188409869874 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85625088051865e-05 , 0.043979514104373 , 0.0191227028539067 , 0.7100732637782 , 0.710073262740816 , 0.000114194275411957 , 0.0501988275453197 , 0.0847680560383523 , 0.709393185953312 , 0.709393186942356 ]. - Idistance(0) = 1.96740723858544 - Idistance(1) = 7.24682976322069 - Idistance(2) = 34.6048709944549 + NOON of irrep Ag = [ 1.99999761728575 , 1.99817458692598 , 1.99099529641345 ]. + NOON of irrep B2g = [ 0.999157310938275 ]. + NOON of irrep B3g = [ 0.999157311020267 ]. + NOON of irrep B1u = [ 1.99999763398152 , 1.99356772578705 , 0.0151843204145517 ]. + NOON of irrep B2u = [ 1.00188409856666 ]. + NOON of irrep B3u = [ 1.0018840986665 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624940511607e-05 , 0.0439795119573393 , 0.0191227053181916 , 0.710073263525779 , 0.710073262883541 , 0.000114194275529564 , 0.0501988278406546 , 0.0847680572174618 , 0.70939318608236 , 0.709393186694779 ]. + Idistance(0) = 1.96740724061996 + Idistance(1) = 7.24682976890418 + Idistance(2) = 34.6048709990405 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.591911 seconds -*** |--> MPS gauge change = 0.00293 seconds -*** |--> Diagram calc = 0.029882 seconds -*** |--> Tensor update = 0.551557 seconds -*** |--> create = 0.164568 seconds -*** |--> destroy = 0.014408 seconds -*** |--> disk write = 0.174958 seconds -*** |--> disk read = 0.146006 seconds -*** |--> calc = 0.050536 seconds -*** Disk write bandwidth = 2.33886175929991 MB/s -*** Disk read bandwidth = 2.80264219061952 MB/s +*** Elapsed wall time = 0.212074 seconds +*** |--> MPS gauge change = 0.001638 seconds +*** |--> Diagram calc = 0.011499 seconds +*** |--> Tensor update = 0.197303 seconds +*** |--> create = 0.065541 seconds +*** |--> destroy = 0.004886 seconds +*** |--> disk write = 0.059916 seconds +*** |--> disk read = 0.048133 seconds +*** |--> calc = 0.018569 seconds +*** Disk write bandwidth = 6.82960437418375 MB/s +*** Disk read bandwidth = 8.50149742761918 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 = 0.005836 seconds -FCI::matvec : Wall time = 0.005733 seconds -FCI::matvec : Wall time = 0.005728 seconds -FCI::matvec : Wall time = 0.005697 seconds -FCI::matvec : Wall time = 0.005719 seconds -FCI::matvec : Wall time = 0.00568 seconds -FCI::matvec : Wall time = 0.005694 seconds -FCI::matvec : Wall time = 0.005662 seconds -FCI::matvec : Wall time = 0.005667 seconds -FCI::matvec : Wall time = 0.005705 seconds -FCI::matvec : Wall time = 0.005672 seconds -FCI::matvec : Wall time = 0.005722 seconds +FCI::matvec : Wall time = 0.002633 seconds +FCI::matvec : Wall time = 0.002688 seconds +FCI::matvec : Wall time = 0.002705 seconds +FCI::matvec : Wall time = 0.002698 seconds +FCI::matvec : Wall time = 0.002648 seconds +FCI::matvec : Wall time = 0.002663 seconds +FCI::matvec : Wall time = 0.002659 seconds +FCI::matvec : Wall time = 0.002641 seconds +FCI::matvec : Wall time = 0.00263 seconds +FCI::matvec : Wall time = 0.002654 seconds +FCI::matvec : Wall time = 0.002651 seconds +FCI::matvec : Wall time = 0.002628 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000002 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 @@ -2481,258 +2517,258 @@ 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 -101.573746947196 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (7, 8) is -105.792584637222 - Stats: nIt(DAVIDSON) = 55 -Energy at sites (6, 7) is -105.90455808264 - Stats: nIt(DAVIDSON) = 52 -Energy at sites (5, 6) is -105.911211585813 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (8, 9) is -100.373965700991 + Stats: nIt(DAVIDSON) = 21 +Energy at sites (7, 8) is -105.793368826042 + Stats: nIt(DAVIDSON) = 62 +Energy at sites (6, 7) is -105.904098688962 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (5, 6) is -105.906990962453 Stats: nIt(DAVIDSON) = 45 -Energy at sites (4, 5) is -106.111657134119 - Stats: nIt(DAVIDSON) = 44 -Energy at sites (3, 4) is -106.143955570418 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.14395560572 +Energy at sites (4, 5) is -106.146390156824 + Stats: nIt(DAVIDSON) = 43 +Energy at sites (3, 4) is -106.18101454312 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (2, 3) is -106.181014728191 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.14395560572 +Energy at sites (1, 2) is -106.181014728191 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.954894 seconds -*** |--> S.join = 0.002132 seconds -*** |--> S.solve = 1.71815 seconds -*** |--> S.split = 0.004006 seconds -*** |--> Tensor update = 0.227702 seconds -*** |--> create = 0.069628 seconds -*** |--> destroy = 0.005714 seconds -*** |--> disk write = 0.072503 seconds -*** |--> disk read = 0.061346 seconds -*** |--> calc = 0.01825 seconds -*** Disk write bandwidth = 2.78414024947675 MB/s -*** Disk read bandwidth = 3.27283191217643 MB/s -*** Minimum energy = -106.14395560572 +*** Elapsed wall time = 0.651349 seconds +*** |--> S.join = 0.001168 seconds +*** |--> S.solve = 0.565399 seconds +*** |--> S.split = 0.002023 seconds +*** |--> Tensor update = 0.081262 seconds +*** |--> create = 0.026518 seconds +*** |--> destroy = 0.001817 seconds +*** |--> disk write = 0.025346 seconds +*** |--> disk read = 0.020349 seconds +*** |--> calc = 0.007174 seconds +*** Disk write bandwidth = 7.96411743501194 MB/s +*** Disk read bandwidth = 9.86658540883459 MB/s +*** Minimum energy = -106.181014728191 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.14395560572 +Energy at sites (0, 1) is -106.181014728191 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.14395560572 +Energy at sites (1, 2) is -106.181014728191 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.14395560572 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.14395560572 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -106.146132757588 +Energy at sites (2, 3) is -106.181014728191 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (3, 4) is -106.181014728208 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -106.181350504199 Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -106.190833107882 +Energy at sites (5, 6) is -106.191402638199 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.190833107954 +Energy at sites (6, 7) is -106.191402638221 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.190833107954 +Energy at sites (7, 8) is -106.191402638221 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.468236 seconds -*** |--> S.join = 0.001983 seconds -*** |--> S.solve = 0.228388 seconds -*** |--> S.split = 0.00416 seconds -*** |--> Tensor update = 0.232172 seconds -*** |--> create = 0.071474 seconds -*** |--> destroy = 0.005946 seconds -*** |--> disk write = 0.073888 seconds -*** |--> disk read = 0.061907 seconds -*** |--> calc = 0.018688 seconds -*** Disk write bandwidth = 2.71729031079979 MB/s -*** Disk read bandwidth = 3.26067359923454 MB/s -*** Minimum energy = -106.190833107954 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.190833107954 +*** Elapsed wall time = 0.167407 seconds +*** |--> S.join = 0.001027 seconds +*** |--> S.solve = 0.080187 seconds +*** |--> S.split = 0.001812 seconds +*** |--> Tensor update = 0.082711 seconds +*** |--> create = 0.027726 seconds +*** |--> destroy = 0.00207 seconds +*** |--> disk write = 0.025324 seconds +*** |--> disk read = 0.020314 seconds +*** |--> calc = 0.007211 seconds +*** Disk write bandwidth = 7.92825566594436 MB/s +*** Disk read bandwidth = 9.93691643732463 MB/s +*** Minimum energy = -106.191402638221 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191402638221 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.190833107954 +Energy at sites (8, 9) is -106.191402638221 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.190833107954 +Energy at sites (7, 8) is -106.191402638221 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.190833107954 +Energy at sites (6, 7) is -106.191402638221 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.190833107954 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -106.191387421146 +Energy at sites (5, 6) is -106.191402638221 Stats: nIt(DAVIDSON) = 9 -Energy at sites (3, 4) is -106.191460050936 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -106.191460057963 +Energy at sites (4, 5) is -106.19144949373 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (3, 4) is -106.191465615749 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -106.191465623339 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191460057963 +Energy at sites (1, 2) is -106.191465623339 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.391215 seconds -*** |--> S.join = 0.00203 seconds -*** |--> S.solve = 0.152289 seconds -*** |--> S.split = 0.004244 seconds -*** |--> Tensor update = 0.231105 seconds -*** |--> create = 0.070048 seconds -*** |--> destroy = 0.005947 seconds -*** |--> disk write = 0.074119 seconds -*** |--> disk read = 0.062564 seconds -*** |--> calc = 0.018162 seconds -*** Disk write bandwidth = 2.72343826154984 MB/s -*** Disk read bandwidth = 3.20911620875224 MB/s -*** Minimum energy = -106.191460057963 +*** Elapsed wall time = 0.137233 seconds +*** |--> S.join = 0.001176 seconds +*** |--> S.solve = 0.051223 seconds +*** |--> S.split = 0.002012 seconds +*** |--> Tensor update = 0.082098 seconds +*** |--> create = 0.027245 seconds +*** |--> destroy = 0.002002 seconds +*** |--> disk write = 0.025397 seconds +*** |--> disk read = 0.020304 seconds +*** |--> calc = 0.007085 seconds +*** Disk write bandwidth = 7.94812460163848 MB/s +*** Disk read bandwidth = 9.88845284103502 MB/s +*** Minimum energy = -106.191465623339 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191460057963 +Energy at sites (0, 1) is -106.191465623339 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191460057963 +Energy at sites (1, 2) is -106.191465623339 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191460057963 +Energy at sites (2, 3) is -106.191465623339 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191460057963 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -106.191460107159 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -106.191466396487 +Energy at sites (3, 4) is -106.191465623339 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -106.191465630513 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (5, 6) is -106.191466522939 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191466396526 +Energy at sites (6, 7) is -106.191466522984 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466396526 +Energy at sites (7, 8) is -106.191466522984 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.407694 seconds -*** |--> S.join = 0.002011 seconds -*** |--> S.solve = 0.167228 seconds -*** |--> S.split = 0.004253 seconds -*** |--> Tensor update = 0.232644 seconds -*** |--> create = 0.071593 seconds -*** |--> destroy = 0.006005 seconds -*** |--> disk write = 0.074334 seconds -*** |--> disk read = 0.061788 seconds -*** |--> calc = 0.018644 seconds -*** Disk write bandwidth = 2.70098671515558 MB/s -*** Disk read bandwidth = 3.26695346196369 MB/s -*** Minimum energy = -106.191466396526 +*** Elapsed wall time = 0.137102 seconds +*** |--> S.join = 0.001114 seconds +*** |--> S.solve = 0.051308 seconds +*** |--> S.split = 0.001974 seconds +*** |--> Tensor update = 0.0820110000000001 seconds +*** |--> create = 0.0270010000000001 seconds +*** |--> destroy = 0.001883 seconds +*** |--> disk write = 0.025435 seconds +*** |--> disk read = 0.020439 seconds +*** |--> calc = 0.007194 seconds +*** Disk write bandwidth = 7.89365624078534 MB/s +*** Disk read bandwidth = 9.87614465031618 MB/s +*** Minimum energy = -106.191466522984 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 0.000633288572259971 +*** Energy difference with respect to previous leftright sweep = 6.38847627953965e-05 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 621 -*** Minimum energy encountered during all instructions = -106.191466396526 -*** Minimum energy encountered during the last sweep = -106.191466396526 +*** Minimum energy encountered during all instructions = -106.191466522984 +*** Minimum energy encountered during the last sweep = -106.191466522984 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -106.191466396527 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -106.191466396527 +Energy at sites (8, 9) is -106.191466522991 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (7, 8) is -106.191466522993 Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -106.191466396527 +Energy at sites (6, 7) is -106.191466522993 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.191466396532 +Energy at sites (5, 6) is -106.191466522998 Stats: nIt(DAVIDSON) = 17 -Energy at sites (4, 5) is -106.191466497004 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -106.191466567077 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -106.191466567082 +Energy at sites (4, 5) is -106.191466565209 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (3, 4) is -106.191466572341 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -106.191466572341 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466567082 +Energy at sites (1, 2) is -106.191466572341 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.705885 seconds -*** |--> S.join = 0.002207 seconds -*** |--> S.solve = 0.466855 seconds -*** |--> S.split = 0.004011 seconds -*** |--> Tensor update = 0.230025 seconds -*** |--> create = 0.070288 seconds -*** |--> destroy = 0.005952 seconds -*** |--> disk write = 0.073292 seconds -*** |--> disk read = 0.061898 seconds -*** |--> calc = 0.018322 seconds -*** Disk write bandwidth = 2.75416853828266 MB/s -*** Disk read bandwidth = 3.24364513367758 MB/s -*** Minimum energy = -106.191466567082 +*** Elapsed wall time = 0.258506 seconds +*** |--> S.join = 0.001084 seconds +*** |--> S.solve = 0.171827 seconds +*** |--> S.split = 0.002032 seconds +*** |--> Tensor update = 0.082854 seconds +*** |--> create = 0.027359 seconds +*** |--> destroy = 0.001991 seconds +*** |--> disk write = 0.02559 seconds +*** |--> disk read = 0.020713 seconds +*** |--> calc = 0.007131 seconds +*** Disk write bandwidth = 7.88817977756204 MB/s +*** Disk read bandwidth = 9.6931949251376 MB/s +*** Minimum energy = -106.191466572341 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466567082 +Energy at sites (0, 1) is -106.191466572341 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466567082 +Energy at sites (1, 2) is -106.191466572341 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466567081 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -106.191466567082 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.191466567104 +Energy at sites (2, 3) is -106.191466572341 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -106.191466572341 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.191466572344 Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -106.191466575467 +Energy at sites (5, 6) is -106.191466575697 Stats: nIt(DAVIDSON) = 4 -Energy at sites (6, 7) is -106.191466575467 +Energy at sites (6, 7) is -106.191466575697 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575467 +Energy at sites (7, 8) is -106.191466575698 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.581795 seconds -*** |--> S.join = 0.001964 seconds -*** |--> S.solve = 0.339844 seconds -*** |--> S.split = 0.004154 seconds -*** |--> Tensor update = 0.232245 seconds -*** |--> create = 0.07131 seconds -*** |--> destroy = 0.006105 seconds -*** |--> disk write = 0.073581 seconds -*** |--> disk read = 0.062171 seconds -*** |--> calc = 0.018804 seconds -*** Disk write bandwidth = 2.72862758707241 MB/s -*** Disk read bandwidth = 3.24682762876281 MB/s -*** Minimum energy = -106.191466575467 +*** Elapsed wall time = 0.208172 seconds +*** |--> S.join = 0.001149 seconds +*** |--> S.solve = 0.119522 seconds +*** |--> S.split = 0.002004 seconds +*** |--> Tensor update = 0.08479 seconds +*** |--> create = 0.028299 seconds +*** |--> destroy = 0.001926 seconds +*** |--> disk write = 0.02641 seconds +*** |--> disk read = 0.020958 seconds +*** |--> calc = 0.00713 seconds +*** Disk write bandwidth = 7.60223954882147 MB/s +*** Disk read bandwidth = 9.63157364766736 MB/s +*** Minimum energy = -106.191466575698 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.78940979367326e-07 +*** Energy difference with respect to previous leftright sweep = 5.27137444805703e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575467 +Energy at sites (8, 9) is -106.191466575698 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575467 +Energy at sites (7, 8) is -106.191466575697 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575467 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -106.191466575467 +Energy at sites (6, 7) is -106.191466575698 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (5, 6) is -106.191466575698 Stats: nIt(DAVIDSON) = 15 -Energy at sites (4, 5) is -106.191466575674 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (3, 4) is -106.191466575923 +Energy at sites (4, 5) is -106.191466575911 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -106.191466575932 Stats: nIt(DAVIDSON) = 5 -Energy at sites (2, 3) is -106.191466575923 +Energy at sites (2, 3) is -106.191466575932 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575923 +Energy at sites (1, 2) is -106.191466575932 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.475212 seconds -*** |--> S.join = 0.00198 seconds -*** |--> S.solve = 0.235313 seconds -*** |--> S.split = 0.004006 seconds -*** |--> Tensor update = 0.230383 seconds -*** |--> create = 0.070101 seconds -*** |--> destroy = 0.005795 seconds -*** |--> disk write = 0.074194 seconds -*** |--> disk read = 0.061709 seconds -*** |--> calc = 0.018308 seconds -*** Disk write bandwidth = 2.72068523745603 MB/s -*** Disk read bandwidth = 3.2535796477722 MB/s -*** Minimum energy = -106.191466575923 +*** Elapsed wall time = 0.166002 seconds +*** |--> S.join = 0.001108 seconds +*** |--> S.solve = 0.080115 seconds +*** |--> S.split = 0.002018 seconds +*** |--> Tensor update = 0.082047 seconds +*** |--> create = 0.026957 seconds +*** |--> destroy = 0.002093 seconds +*** |--> disk write = 0.025309 seconds +*** |--> disk read = 0.020565 seconds +*** |--> calc = 0.007058 seconds +*** Disk write bandwidth = 7.97576042150273 MB/s +*** Disk read bandwidth = 9.76295387718818 MB/s +*** Minimum energy = -106.191466575932 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575923 +Energy at sites (0, 1) is -106.191466575932 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575923 +Energy at sites (1, 2) is -106.191466575932 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575923 +Energy at sites (2, 3) is -106.191466575932 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575923 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191466575923 - Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -106.191466575932 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (4, 5) is -106.191466575932 + Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -106.191466575949 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.191466575949 @@ -2740,21 +2776,21 @@ Energy at sites (7, 8) is -106.191466575949 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.506491 seconds -*** |--> S.join = 0.00198 seconds -*** |--> S.solve = 0.266289 seconds -*** |--> S.split = 0.003966 seconds -*** |--> Tensor update = 0.230665 seconds -*** |--> create = 0.071271 seconds -*** |--> destroy = 0.005723 seconds -*** |--> disk write = 0.073088 seconds -*** |--> disk read = 0.061499 seconds -*** |--> calc = 0.018811 seconds -*** Disk write bandwidth = 2.7470329805765 MB/s -*** Disk read bandwidth = 3.28230573680568 MB/s +*** Elapsed wall time = 0.173917 seconds +*** |--> S.join = 0.00113 seconds +*** |--> S.solve = 0.087487 seconds +*** |--> S.split = 0.001956 seconds +*** |--> Tensor update = 0.082663 seconds +*** |--> create = 0.027857 seconds +*** |--> destroy = 0.001898 seconds +*** |--> disk write = 0.025363 seconds +*** |--> disk read = 0.020321 seconds +*** |--> calc = 0.007161 seconds +*** Disk write bandwidth = 7.91606460136321 MB/s +*** Disk read bandwidth = 9.93349345543096 MB/s *** Minimum energy = -106.191466575949 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.81719553135918e-10 +*** Energy difference with respect to previous leftright sweep = 2.51333176493063e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575949 @@ -2764,28 +2800,28 @@ Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575949 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -106.191466575949 - Stats: nIt(DAVIDSON) = 14 + 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) = 4 + Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 0.433106 seconds -*** |--> S.join = 0.002037 seconds -*** |--> S.solve = 0.192813 seconds -*** |--> S.split = 0.003981 seconds -*** |--> Tensor update = 0.230691 seconds -*** |--> create = 0.070889 seconds -*** |--> destroy = 0.00573 seconds -*** |--> disk write = 0.072673 seconds -*** |--> disk read = 0.062473 seconds -*** |--> calc = 0.01859 seconds -*** Disk write bandwidth = 2.77762746147555 MB/s -*** Disk read bandwidth = 3.21379070133298 MB/s +*** Elapsed wall time = 0.15307 seconds +*** |--> S.join = 0.001096 seconds +*** |--> S.solve = 0.066676 seconds +*** |--> S.split = 0.001971 seconds +*** |--> Tensor update = 0.082643 seconds +*** |--> create = 0.027627 seconds +*** |--> destroy = 0.001985 seconds +*** |--> disk write = 0.025412 seconds +*** |--> disk read = 0.020369 seconds +*** |--> calc = 0.007185 seconds +*** Disk write bandwidth = 7.94343304375148 MB/s +*** Disk read bandwidth = 9.85689756416 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** @@ -2797,9 +2833,9 @@ Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 12 + Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 @@ -2807,21 +2843,21 @@ Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 0.443938 seconds -*** |--> S.join = 0.001897 seconds -*** |--> S.solve = 0.203601 seconds -*** |--> S.split = 0.003963 seconds -*** |--> Tensor update = 0.230928 seconds -*** |--> create = 0.071245 seconds -*** |--> destroy = 0.0059 seconds -*** |--> disk write = 0.073114 seconds -*** |--> disk read = 0.06167 seconds -*** |--> calc = 0.018732 seconds -*** Disk write bandwidth = 2.74605611079103 MB/s -*** Disk read bandwidth = 3.27320448366811 MB/s +*** Elapsed wall time = 0.150587 seconds +*** |--> S.join = 0.001107 seconds +*** |--> S.solve = 0.064638 seconds +*** |--> S.split = 0.001965 seconds +*** |--> Tensor update = 0.082145 seconds +*** |--> create = 0.027246 seconds +*** |--> destroy = 0.001974 seconds +*** |--> disk write = 0.025312 seconds +*** |--> disk read = 0.020429 seconds +*** |--> calc = 0.00712 seconds +*** Disk write bandwidth = 7.93201432065325 MB/s +*** Disk read bandwidth = 9.88097902529796 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 = 1.25055521493778e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2835,52 +2871,52 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.9999939965955 , 1.99366325443905 , 1.87190048312307 ]. - NOON of irrep B2g = [ 0.584814290889518 ]. - NOON of irrep B3g = [ 0.58481428301796 ]. - NOON of irrep B1u = [ 1.99999783389189 , 1.12096429439657 , 1.00219410498165 ]. - NOON of irrep B2u = [ 1.42082873544611 ]. - NOON of irrep B3u = [ 1.42082872321868 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128393896232e-05 , 0.0722109603772016 , 0.460791935793617 , 1.13075780181589 , 1.13075780334032 , 6.17502938400456e-05 , 0.977139018103611 , 0.735936494277494 , 1.12042722826753 , 1.12042723461554 ]. - Idistance(0) = 5.65234399955656 - Idistance(1) = 19.8382958748178 - Idistance(2) = 88.8195414965992 + Econst + 0.5 * trace(2DM-A * Ham) = -106.191466575951 + NOON of irrep Ag = [ 1.99999399659721 , 1.99366325667755 , 1.87190049236267 ]. + NOON of irrep B2g = [ 0.584814265873764 ]. + NOON of irrep B3g = [ 0.58481429816178 ]. + NOON of irrep B1u = [ 1.99999783389177 , 1.12096429138215 , 1.00219410763525 ]. + NOON of irrep B2u = [ 1.42082871192455 ]. + NOON of irrep B3u = [ 1.42082874549331 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128179531773e-05 , 0.0722109528288589 , 0.460791906896547 , 1.13075778706628 , 1.13075780119699 , 6.1750295644941e-05 , 0.977139014284645 , 0.735936480535005 , 1.12042724133862 , 1.1204272245214 ]. + Idistance(0) = 5.65234392293198 + Idistance(1) = 19.8382955801863 + Idistance(2) = 88.8195399209588 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.592188 seconds -*** |--> MPS gauge change = 0.003394 seconds -*** |--> Diagram calc = 0.030041 seconds -*** |--> Tensor update = 0.555238 seconds -*** |--> create = 0.166267 seconds -*** |--> destroy = 0.014388 seconds -*** |--> disk write = 0.175322 seconds -*** |--> disk read = 0.147512 seconds -*** |--> calc = 0.050681 seconds -*** Disk write bandwidth = 2.4089412228152 MB/s -*** Disk read bandwidth = 2.86309176925542 MB/s +*** Elapsed wall time = 0.215778 seconds +*** |--> MPS gauge change = 0.004492 seconds +*** |--> Diagram calc = 0.011489 seconds +*** |--> Tensor update = 0.19815 seconds +*** |--> create = 0.0660170000000001 seconds +*** |--> destroy = 0.004691 seconds +*** |--> disk write = 0.060136 seconds +*** |--> disk read = 0.048207 seconds +*** |--> calc = 0.018839 seconds +*** Disk write bandwidth = 7.02308755265409 MB/s +*** Disk read bandwidth = 8.76097647782285 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 = 0.005925 seconds -FCI::matvec : Wall time = 0.005934 seconds -FCI::matvec : Wall time = 0.005855 seconds -FCI::matvec : Wall time = 0.005796 seconds -FCI::matvec : Wall time = 0.005762 seconds -FCI::matvec : Wall time = 0.005691 seconds -FCI::matvec : Wall time = 0.005747 seconds -FCI::matvec : Wall time = 0.00568 seconds -FCI::matvec : Wall time = 0.00571 seconds -FCI::matvec : Wall time = 0.005663 seconds -FCI::matvec : Wall time = 0.005656 seconds -FCI::matvec : Wall time = 0.005711 seconds -FCI::matvec : Wall time = 0.005692 seconds -FCI::matvec : Wall time = 0.005709 seconds -FCI::matvec : Wall time = 0.005685 seconds -FCI::matvec : Wall time = 0.005702 seconds -FCI::matvec : Wall time = 0.005714 seconds -FCI::matvec : Wall time = 0.005669 seconds +FCI::matvec : Wall time = 0.002647 seconds +FCI::matvec : Wall time = 0.002743 seconds +FCI::matvec : Wall time = 0.002716 seconds +FCI::matvec : Wall time = 0.002662 seconds +FCI::matvec : Wall time = 0.002683 seconds +FCI::matvec : Wall time = 0.002669 seconds +FCI::matvec : Wall time = 0.002646 seconds +FCI::matvec : Wall time = 0.002657 seconds +FCI::matvec : Wall time = 0.002647 seconds +FCI::matvec : Wall time = 0.002621 seconds +FCI::matvec : Wall time = 0.002594 seconds +FCI::matvec : Wall time = 0.002631 seconds +FCI::matvec : Wall time = 0.00264 seconds +FCI::matvec : Wall time = 0.002626 seconds +FCI::matvec : Wall time = 0.00263 seconds +FCI::matvec : Wall time = 0.002735 seconds +FCI::matvec : Wall time = 0.002648 seconds +FCI::matvec : Wall time = 0.002615 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 @@ -2902,213 +2938,213 @@ 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) = 20 -Energy at sites (8, 9) is -103.267907397756 - Stats: nIt(DAVIDSON) = 29 -Energy at sites (7, 8) is -106.574256332483 - Stats: nIt(DAVIDSON) = 40 -Energy at sites (6, 7) is -106.777900090625 - Stats: nIt(DAVIDSON) = 62 -Energy at sites (5, 6) is -107.063596766939 - Stats: nIt(DAVIDSON) = 36 -Energy at sites (4, 5) is -107.344945166719 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -107.34506356404 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.345064902041 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (8, 9) is -104.198995151714 + Stats: nIt(DAVIDSON) = 31 +Energy at sites (7, 8) is -106.586106077 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (6, 7) is -106.779104942152 + Stats: nIt(DAVIDSON) = 61 +Energy at sites (5, 6) is -107.169728823104 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (4, 5) is -107.345369624672 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (3, 4) is -107.345502386268 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (2, 3) is -107.345504104991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34506490204 +Energy at sites (1, 2) is -107.345504104991 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.689277 seconds -*** |--> S.join = 0.003116 seconds -*** |--> S.solve = 3.386576 seconds -*** |--> S.split = 0.007174 seconds -*** |--> Tensor update = 0.288956 seconds -*** |--> create = 0.086991 seconds -*** |--> destroy = 0.00627 seconds -*** |--> disk write = 0.086225 seconds -*** |--> disk read = 0.067011 seconds -*** |--> calc = 0.042166 seconds -*** Disk write bandwidth = 9.49593065924906 MB/s -*** Disk read bandwidth = 12.1646096714182 MB/s -*** Minimum energy = -107.345064902041 +*** Elapsed wall time = 1.35581 seconds +*** |--> S.join = 0.001505 seconds +*** |--> S.solve = 1.247647 seconds +*** |--> S.split = 0.0034 seconds +*** |--> Tensor update = 0.101728 seconds +*** |--> create = 0.033578 seconds +*** |--> destroy = 0.001973 seconds +*** |--> disk write = 0.028794 seconds +*** |--> disk read = 0.021735 seconds +*** |--> calc = 0.015576 seconds +*** Disk write bandwidth = 28.4360151800288 MB/s +*** Disk read bandwidth = 37.504608175358 MB/s +*** Minimum energy = -107.345504104991 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.345064902041 +Energy at sites (0, 1) is -107.345504104991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.345064902041 +Energy at sites (1, 2) is -107.345504104991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.345064902041 +Energy at sites (2, 3) is -107.345504104991 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.345064903665 +Energy at sites (3, 4) is -107.345504107859 Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.345064990641 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.34631719664 +Energy at sites (4, 5) is -107.345504187402 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -107.346319554343 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346322017287 +Energy at sites (6, 7) is -107.346324272095 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346322017288 +Energy at sites (7, 8) is -107.346324272095 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.852766 seconds -*** |--> S.join = 0.00346 seconds -*** |--> S.solve = 0.546781 seconds -*** |--> S.split = 0.007263 seconds -*** |--> Tensor update = 0.292777 seconds -*** |--> create = 0.089923 seconds -*** |--> destroy = 0.006398 seconds -*** |--> disk write = 0.0873580000000001 seconds -*** |--> disk read = 0.067294 seconds -*** |--> calc = 0.04151 seconds -*** Disk write bandwidth = 9.33128801817127 MB/s -*** Disk read bandwidth = 12.1673049765767 MB/s -*** Minimum energy = -107.346322017288 +*** Elapsed wall time = 0.331954 seconds +*** |--> S.join = 0.001447 seconds +*** |--> S.solve = 0.223245 seconds +*** |--> S.split = 0.003246 seconds +*** |--> Tensor update = 0.10226 seconds +*** |--> create = 0.03487 seconds +*** |--> destroy = 0.001956 seconds +*** |--> disk write = 0.028448 seconds +*** |--> disk read = 0.02138 seconds +*** |--> calc = 0.015542 seconds +*** Disk write bandwidth = 28.6544804095686 MB/s +*** Disk read bandwidth = 38.296848507659 MB/s +*** Minimum energy = -107.346324272095 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346322017288 +*** Energy difference with respect to previous leftright sweep = 107.346324272095 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346322017288 +Energy at sites (8, 9) is -107.346324272095 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346322017288 +Energy at sites (7, 8) is -107.346324272095 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346322017288 +Energy at sites (6, 7) is -107.346324272095 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (5, 6) is -107.346324276242 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.346325997861 Stats: nIt(DAVIDSON) = 5 -Energy at sites (5, 6) is -107.346322022454 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.346324225874 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (3, 4) is -107.346326080786 +Energy at sites (3, 4) is -107.346326103536 Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.346326080927 +Energy at sites (2, 3) is -107.3463261037 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326080927 +Energy at sites (1, 2) is -107.3463261037 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.649963 seconds -*** |--> S.join = 0.002925 seconds -*** |--> S.solve = 0.345637 seconds -*** |--> S.split = 0.00722 seconds -*** |--> Tensor update = 0.290708 seconds -*** |--> create = 0.087255 seconds -*** |--> destroy = 0.006414 seconds -*** |--> disk write = 0.087096 seconds -*** |--> disk read = 0.067451 seconds -*** |--> calc = 0.042199 seconds -*** Disk write bandwidth = 9.40096699152372 MB/s -*** Disk read bandwidth = 12.0852568337224 MB/s -*** Minimum energy = -107.346326080927 +*** Elapsed wall time = 0.21056 seconds +*** |--> S.join = 0.001595 seconds +*** |--> S.solve = 0.103344 seconds +*** |--> S.split = 0.003297 seconds +*** |--> Tensor update = 0.101598 seconds +*** |--> create = 0.033636 seconds +*** |--> destroy = 0.002099 seconds +*** |--> disk write = 0.028431 seconds +*** |--> disk read = 0.021736 seconds +*** |--> calc = 0.015625 seconds +*** Disk write bandwidth = 28.7990792126112 MB/s +*** Disk read bandwidth = 37.5028827149156 MB/s +*** Minimum energy = -107.3463261037 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326080927 +Energy at sites (0, 1) is -107.3463261037 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326080927 +Energy at sites (1, 2) is -107.3463261037 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326080927 +Energy at sites (2, 3) is -107.3463261037 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326080927 +Energy at sites (3, 4) is -107.3463261037 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326081659 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (5, 6) is -107.346326114263 +Energy at sites (4, 5) is -107.346326103771 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (5, 6) is -107.346326114387 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.346326114557 +Energy at sites (6, 7) is -107.34632611491 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114557 +Energy at sites (7, 8) is -107.34632611491 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.555055 seconds -*** |--> S.join = 0.002969 seconds -*** |--> S.solve = 0.249859 seconds -*** |--> S.split = 0.007067 seconds -*** |--> Tensor update = 0.291534 seconds -*** |--> create = 0.089491 seconds -*** |--> destroy = 0.006203 seconds -*** |--> disk write = 0.086947 seconds -*** |--> disk read = 0.067001 seconds -*** |--> calc = 0.04161 seconds -*** Disk write bandwidth = 9.37539718094249 MB/s -*** Disk read bandwidth = 12.2205134414971 MB/s -*** Minimum energy = -107.346326114557 +*** Elapsed wall time = 0.181412 seconds +*** |--> S.join = 0.001501 seconds +*** |--> S.solve = 0.074262 seconds +*** |--> S.split = 0.003245 seconds +*** |--> Tensor update = 0.101692 seconds +*** |--> create = 0.03449 seconds +*** |--> destroy = 0.002109 seconds +*** |--> disk write = 0.028102 seconds +*** |--> disk read = 0.021435 seconds +*** |--> calc = 0.015445 seconds +*** Disk write bandwidth = 29.0072827091099 MB/s +*** Disk read bandwidth = 38.1985827428855 MB/s +*** Minimum energy = -107.34632611491 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.09726933980892e-06 +*** Energy difference with respect to previous leftright sweep = 1.84281509518769e-06 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2128 -*** Minimum energy encountered during all instructions = -107.346326114557 -*** Minimum energy encountered during the last sweep = -107.346326114557 +*** Minimum energy encountered during all instructions = -107.34632611491 +*** Minimum energy encountered during the last sweep = -107.34632611491 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.34632611456 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (8, 9) is -107.346326114915 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -107.346326114564 +Energy at sites (7, 8) is -107.34632611492 Stats: nIt(DAVIDSON) = 13 -Energy at sites (6, 7) is -107.346326114566 +Energy at sites (6, 7) is -107.346326114923 Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -107.346326114583 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.346326115007 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -107.346326115017 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.346326115017 +Energy at sites (5, 6) is -107.346326114925 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -107.346326115021 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (3, 4) is -107.346326115023 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115017 +Energy at sites (1, 2) is -107.346326115023 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.42791 seconds -*** |--> S.join = 0.002967 seconds -*** |--> S.solve = 1.125146 seconds -*** |--> S.split = 0.007176 seconds -*** |--> Tensor update = 0.289115 seconds -*** |--> create = 0.086756 seconds -*** |--> destroy = 0.006038 seconds -*** |--> disk write = 0.086856 seconds -*** |--> disk read = 0.06689 seconds -*** |--> calc = 0.042267 seconds -*** Disk write bandwidth = 9.42694368948317 MB/s -*** Disk read bandwidth = 12.1866147210556 MB/s -*** Minimum energy = -107.346326115017 +*** Elapsed wall time = 0.517848 seconds +*** |--> S.join = 0.001726 seconds +*** |--> S.solve = 0.409363 seconds +*** |--> S.split = 0.003317 seconds +*** |--> Tensor update = 0.101919 seconds +*** |--> create = 0.03406 seconds +*** |--> destroy = 0.002043 seconds +*** |--> disk write = 0.028569 seconds +*** |--> disk read = 0.021529 seconds +*** |--> calc = 0.01563 seconds +*** Disk write bandwidth = 28.6599678355473 MB/s +*** Disk read bandwidth = 37.8634706066889 MB/s +*** Minimum energy = -107.346326115023 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115017 +Energy at sites (0, 1) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115017 +Energy at sites (1, 2) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115017 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (3, 4) is -107.346326115017 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.346326115017 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (5, 6) is -107.346326115024 +Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 8 -Energy at sites (6, 7) is -107.346326115024 +Energy at sites (3, 4) is -107.346326115023 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.346326115023 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -107.346326115025 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (6, 7) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.066714 seconds -*** |--> S.join = 0.002852 seconds -*** |--> S.solve = 0.762042 seconds -*** |--> S.split = 0.007158 seconds -*** |--> Tensor update = 0.290997 seconds -*** |--> create = 0.089216 seconds -*** |--> destroy = 0.006149 seconds -*** |--> disk write = 0.086693 seconds -*** |--> disk read = 0.066717 seconds -*** |--> calc = 0.041944 seconds -*** Disk write bandwidth = 9.40286596024369 MB/s -*** Disk read bandwidth = 12.2725335535733 MB/s -*** Minimum energy = -107.346326115024 +*** Elapsed wall time = 0.377236 seconds +*** |--> S.join = 0.001454 seconds +*** |--> S.solve = 0.26835 seconds +*** |--> S.split = 0.003242 seconds +*** |--> Tensor update = 0.102469 seconds +*** |--> create = 0.035451 seconds +*** |--> destroy = 0.001969 seconds +*** |--> disk write = 0.028257 seconds +*** |--> disk read = 0.021248 seconds +*** |--> calc = 0.015479 seconds +*** Disk write bandwidth = 28.8481671335034 MB/s +*** Disk read bandwidth = 38.5347619114152 MB/s +*** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.67338168164133e-10 +*** Energy difference with respect to previous leftright sweep = 1.1468159755168e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115024 @@ -3117,65 +3153,65 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.346326115025 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.346326115025 +Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 8 +Energy at sites (4, 5) is -107.346326115024 + Stats: nIt(DAVIDSON) = 7 Energy at sites (3, 4) is -107.346326115025 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 = 0.78723 seconds -*** |--> S.join = 0.003096 seconds -*** |--> S.solve = 0.484339 seconds -*** |--> S.split = 0.007151 seconds -*** |--> Tensor update = 0.289004 seconds -*** |--> create = 0.086891 seconds -*** |--> destroy = 0.006095 seconds -*** |--> disk write = 0.08636 seconds -*** |--> disk read = 0.066891 seconds -*** |--> calc = 0.042489 seconds -*** Disk write bandwidth = 9.48108639524954 MB/s -*** Disk read bandwidth = 12.1864325348912 MB/s +*** Elapsed wall time = 0.27768 seconds +*** |--> S.join = 0.001504 seconds +*** |--> S.solve = 0.169694 seconds +*** |--> S.split = 0.003249 seconds +*** |--> Tensor update = 0.101532 seconds +*** |--> create = 0.034118 seconds +*** |--> destroy = 0.002071 seconds +*** |--> disk write = 0.028018 seconds +*** |--> disk read = 0.021544 seconds +*** |--> calc = 0.01571 seconds +*** Disk write bandwidth = 29.2235927294507 MB/s +*** Disk read bandwidth = 37.837108182854 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 -107.346326115025 - Stats: nIt(DAVIDSON) = 3 + Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326115025 - Stats: nIt(DAVIDSON) = 11 + Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.346326115025 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -107.346326115024 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (6, 7) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115025 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.720861 seconds -*** |--> S.join = 0.00294 seconds -*** |--> S.solve = 0.415821 seconds -*** |--> S.split = 0.007078 seconds -*** |--> Tensor update = 0.291334 seconds -*** |--> create = 0.089121 seconds -*** |--> destroy = 0.006368 seconds -*** |--> disk write = 0.086897 seconds -*** |--> disk read = 0.06681 seconds -*** |--> calc = 0.04186 seconds -*** Disk write bandwidth = 9.38079172688823 MB/s -*** Disk read bandwidth = 12.2554500986941 MB/s +*** Elapsed wall time = 0.234225 seconds +*** |--> S.join = 0.00156 seconds +*** |--> S.solve = 0.127689 seconds +*** |--> S.split = 0.003351 seconds +*** |--> Tensor update = 0.100889 seconds +*** |--> create = 0.034136 seconds +*** |--> destroy = 0.002046 seconds +*** |--> disk write = 0.028071 seconds +*** |--> disk read = 0.02135 seconds +*** |--> calc = 0.015216 seconds +*** Disk write bandwidth = 29.0393166859537 MB/s +*** Disk read bandwidth = 38.3506614095433 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 = 1.98951966012828e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3190,51 +3226,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 - NOON of irrep Ag = [ 1.99999018535364 , 1.99292175271556 , 1.03221285691823 ]. - NOON of irrep B2g = [ 1.02415310257132 ]. - NOON of irrep B3g = [ 0.0896934287704082 ]. - NOON of irrep B1u = [ 1.99999295584654 , 1.95039154286192 , 0.0159495095086184 ]. - NOON of irrep B2u = [ 1.91962159296994 ]. - NOON of irrep B3u = [ 1.97507307248382 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322992880744 , 0.0447141470442746 , 0.838966993949226 , 0.790658960312713 , 0.317368561101127 , 9.24989500999406e-05 , 0.227634117240349 , 0.0907424583573655 , 0.299652804814993 , 0.133979296999074 ]. - Idistance(0) = 1.57215407883007 - Idistance(1) = 5.1580544830235 - Idistance(2) = 21.9866409913087 + NOON of irrep Ag = [ 1.99999018535376 , 1.9929217528181 , 1.03221285673622 ]. + NOON of irrep B2g = [ 1.02415310259346 ]. + NOON of irrep B3g = [ 0.0896934287946242 ]. + NOON of irrep B1u = [ 1.99999295584654 , 1.95039154289177 , 0.0159495095402083 ]. + NOON of irrep B2u = [ 1.91962159295175 ]. + NOON of irrep B3u = [ 1.97507307247357 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322990946759 , 0.0447141464364442 , 0.838966994632542 , 0.790658960301345 , 0.31736856123464 , 9.24989500944334e-05 , 0.227634117138692 , 0.0907424585503539 , 0.299652804934396 , 0.133979297043874 ]. + Idistance(0) = 1.57215407929647 + Idistance(1) = 5.15805448382435 + Idistance(2) = 21.9866409889482 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.748052 seconds -*** |--> MPS gauge change = 0.003971 seconds -*** |--> Diagram calc = 0.045837 seconds -*** |--> Tensor update = 0.690787 seconds -*** |--> create = 0.207147 seconds -*** |--> destroy = 0.015086 seconds -*** |--> disk write = 0.202322 seconds -*** |--> disk read = 0.157562 seconds -*** |--> calc = 0.107498 seconds -*** Disk write bandwidth = 8.20902217105113 MB/s -*** Disk read bandwidth = 10.5410300941306 MB/s +*** Elapsed wall time = 0.26432 seconds +*** |--> MPS gauge change = 0.002022 seconds +*** |--> Diagram calc = 0.017221 seconds +*** |--> Tensor update = 0.243489 seconds +*** |--> create = 0.082253 seconds +*** |--> destroy = 0.005041 seconds +*** |--> disk write = 0.066273 seconds +*** |--> disk read = 0.050501 seconds +*** |--> calc = 0.039116 seconds +*** Disk write bandwidth = 25.0609717938136 MB/s +*** Disk read bandwidth = 32.8877801170552 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 = 0.013935 seconds -FCI::matvec : Wall time = 0.013673 seconds -FCI::matvec : Wall time = 0.013695 seconds -FCI::matvec : Wall time = 0.013668 seconds -FCI::matvec : Wall time = 0.013723 seconds -FCI::matvec : Wall time = 0.013631 seconds -FCI::matvec : Wall time = 0.013695 seconds -FCI::matvec : Wall time = 0.013651 seconds -FCI::matvec : Wall time = 0.013615 seconds -FCI::matvec : Wall time = 0.014291 seconds -FCI::matvec : Wall time = 0.013785 seconds -FCI::matvec : Wall time = 0.013795 seconds -FCI::matvec : Wall time = 0.013777 seconds -FCI::matvec : Wall time = 0.013835 seconds -FCI::matvec : Wall time = 0.013817 seconds -FCI::matvec : Wall time = 0.013782 seconds -FCI::matvec : Wall time = 0.013789 seconds -FCI::matvec : Wall time = 0.013796 seconds +FCI::matvec : Wall time = 0.00485 seconds +FCI::matvec : Wall time = 0.004861 seconds +FCI::matvec : Wall time = 0.004887 seconds +FCI::matvec : Wall time = 0.004895 seconds +FCI::matvec : Wall time = 0.00479 seconds +FCI::matvec : Wall time = 0.004808 seconds +FCI::matvec : Wall time = 0.004842 seconds +FCI::matvec : Wall time = 0.004801 seconds +FCI::matvec : Wall time = 0.004772 seconds +FCI::matvec : Wall time = 0.004799 seconds +FCI::matvec : Wall time = 0.004772 seconds +FCI::matvec : Wall time = 0.004771 seconds +FCI::matvec : Wall time = 0.004791 seconds +FCI::matvec : Wall time = 0.004804 seconds +FCI::matvec : Wall time = 0.004817 seconds +FCI::matvec : Wall time = 0.004811 seconds +FCI::matvec : Wall time = 0.004811 seconds +FCI::matvec : Wall time = 0.004808 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 @@ -3256,177 +3292,177 @@ 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) = 16 -Energy at sites (8, 9) is -104.918848380878 - Stats: nIt(DAVIDSON) = 29 -Energy at sites (7, 8) is -106.350084413171 - Stats: nIt(DAVIDSON) = 38 -Energy at sites (6, 7) is -106.949967938533 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (5, 6) is -107.184517921689 - Stats: nIt(DAVIDSON) = 42 -Energy at sites (4, 5) is -107.188716537593 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (8, 9) is -103.01346353879 Stats: nIt(DAVIDSON) = 40 -Energy at sites (3, 4) is -107.199494332275 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (2, 3) is -107.199513568223 +Energy at sites (7, 8) is -106.591752545425 + Stats: nIt(DAVIDSON) = 45 +Energy at sites (6, 7) is -106.949954218875 + Stats: nIt(DAVIDSON) = 73 +Energy at sites (5, 6) is -107.185074058266 + Stats: nIt(DAVIDSON) = 45 +Energy at sites (4, 5) is -107.190563052541 + Stats: nIt(DAVIDSON) = 25 +Energy at sites (3, 4) is -107.199525888806 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (2, 3) is -107.199549823485 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199513568223 +Energy at sites (1, 2) is -107.199549823485 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.721788 seconds -*** |--> S.join = 0.002848 seconds -*** |--> S.solve = 3.420222 seconds -*** |--> S.split = 0.007102 seconds -*** |--> Tensor update = 0.287966 seconds -*** |--> create = 0.085924 seconds -*** |--> destroy = 0.006465 seconds -*** |--> disk write = 0.086613 seconds -*** |--> disk read = 0.067474 seconds -*** |--> calc = 0.041102 seconds -*** Disk write bandwidth = 9.71192423819714 MB/s -*** Disk read bandwidth = 12.4130025141629 MB/s -*** Minimum energy = -107.199513568223 +*** Elapsed wall time = 1.541876 seconds +*** |--> S.join = 0.001375 seconds +*** |--> S.solve = 1.434283 seconds +*** |--> S.split = 0.003376 seconds +*** |--> Tensor update = 0.101328 seconds +*** |--> create = 0.033453 seconds +*** |--> destroy = 0.00205 seconds +*** |--> disk write = 0.028601 seconds +*** |--> disk read = 0.022013 seconds +*** |--> calc = 0.015142 seconds +*** Disk write bandwidth = 29.410821091674 MB/s +*** Disk read bandwidth = 38.0481956862138 MB/s +*** Minimum energy = -107.199549823485 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199513568223 +Energy at sites (0, 1) is -107.199549823485 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199513568223 +Energy at sites (1, 2) is -107.199549823485 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199513568223 +Energy at sites (2, 3) is -107.199549823485 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199513572169 +Energy at sites (3, 4) is -107.199549829477 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.199521362585 - Stats: nIt(DAVIDSON) = 20 -Energy at sites (5, 6) is -107.199616767416 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (6, 7) is -107.199617273684 +Energy at sites (4, 5) is -107.199556042167 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.199595725313 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (6, 7) is -107.199617048393 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617273683 +Energy at sites (7, 8) is -107.199617048393 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.043265 seconds -*** |--> S.join = 0.002631 seconds -*** |--> S.solve = 0.740835 seconds -*** |--> S.split = 0.007098 seconds -*** |--> Tensor update = 0.289274 seconds -*** |--> create = 0.088488 seconds -*** |--> destroy = 0.006128 seconds -*** |--> disk write = 0.087592 seconds -*** |--> disk read = 0.066775 seconds -*** |--> calc = 0.040016 seconds -*** Disk write bandwidth = 9.56200259887461 MB/s -*** Disk read bandwidth = 12.5972129396177 MB/s -*** Minimum energy = -107.199617273684 +*** Elapsed wall time = 0.342553 seconds +*** |--> S.join = 0.001307 seconds +*** |--> S.solve = 0.234843 seconds +*** |--> S.split = 0.003128 seconds +*** |--> Tensor update = 0.101539 seconds +*** |--> create = 0.034797 seconds +*** |--> destroy = 0.002017 seconds +*** |--> disk write = 0.028296 seconds +*** |--> disk read = 0.021441 seconds +*** |--> calc = 0.014916 seconds +*** Disk write bandwidth = 29.5997643356172 MB/s +*** Disk read bandwidth = 39.2322603443388 MB/s +*** Minimum energy = -107.199617048393 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617273683 +*** Energy difference with respect to previous leftright sweep = 107.199617048393 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617273684 +Energy at sites (8, 9) is -107.199617048393 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617273683 +Energy at sites (7, 8) is -107.199617048393 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617273684 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (5, 6) is -107.199617274083 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.199617386957 +Energy at sites (6, 7) is -107.199617048393 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (5, 6) is -107.199617353187 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -107.199617384053 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.19961742015 +Energy at sites (3, 4) is -107.199617420888 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.199617421523 +Energy at sites (2, 3) is -107.199617421382 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421523 +Energy at sites (1, 2) is -107.199617421382 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.610766 seconds -*** |--> S.join = 0.002791 seconds -*** |--> S.solve = 0.309104 seconds -*** |--> S.split = 0.007169 seconds -*** |--> Tensor update = 0.288133 seconds -*** |--> create = 0.0858460000000001 seconds -*** |--> destroy = 0.006178 seconds -*** |--> disk write = 0.087427 seconds -*** |--> disk read = 0.067195 seconds -*** |--> calc = 0.041224 seconds -*** Disk write bandwidth = 9.62150015490602 MB/s -*** Disk read bandwidth = 12.4645424754911 MB/s -*** Minimum energy = -107.199617421523 +*** Elapsed wall time = 0.282839 seconds +*** |--> S.join = 0.00141 seconds +*** |--> S.solve = 0.175608 seconds +*** |--> S.split = 0.003189 seconds +*** |--> Tensor update = 0.100873 seconds +*** |--> create = 0.033255 seconds +*** |--> destroy = 0.002116 seconds +*** |--> disk write = 0.028529 seconds +*** |--> disk read = 0.021527 seconds +*** |--> calc = 0.015377 seconds +*** Disk write bandwidth = 29.4850465856836 MB/s +*** Disk read bandwidth = 38.9071831486331 MB/s +*** Minimum energy = -107.199617421382 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617421523 +Energy at sites (0, 1) is -107.199617421382 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421523 +Energy at sites (1, 2) is -107.199617421382 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421523 +Energy at sites (2, 3) is -107.199617421382 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617421523 +Energy at sites (3, 4) is -107.199617421382 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617421556 +Energy at sites (4, 5) is -107.199617421417 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.199617421871 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617421871 +Energy at sites (5, 6) is -107.199617421623 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -107.199617421894 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421871 +Energy at sites (7, 8) is -107.199617421894 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.434211 seconds -*** |--> S.join = 0.002698 seconds -*** |--> S.solve = 0.131191 seconds -*** |--> S.split = 0.007247 seconds -*** |--> Tensor update = 0.289535 seconds -*** |--> create = 0.088397 seconds -*** |--> destroy = 0.006089 seconds -*** |--> disk write = 0.087835 seconds -*** |--> disk read = 0.066919 seconds -*** |--> calc = 0.04002 seconds -*** Disk write bandwidth = 9.53554883179399 MB/s -*** Disk read bandwidth = 12.5701055610958 MB/s -*** Minimum energy = -107.199617421871 +*** Elapsed wall time = 0.161133 seconds +*** |--> S.join = 0.001391 seconds +*** |--> S.solve = 0.05435 seconds +*** |--> S.split = 0.003261 seconds +*** |--> Tensor update = 0.101297 seconds +*** |--> create = 0.034859 seconds +*** |--> destroy = 0.00206 seconds +*** |--> disk write = 0.028168 seconds +*** |--> disk read = 0.021292 seconds +*** |--> calc = 0.014851 seconds +*** Disk write bandwidth = 29.7342705069804 MB/s +*** Disk read bandwidth = 39.5068050931321 MB/s +*** Minimum energy = -107.199617421894 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.48187268678157e-07 +*** Energy difference with respect to previous leftright sweep = 3.73500995465292e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2254 -*** Minimum energy encountered during all instructions = -107.199617421871 -*** Minimum energy encountered during the last sweep = -107.199617421871 +*** Minimum energy encountered during all instructions = -107.199617421894 +*** Minimum energy encountered during the last sweep = -107.199617421894 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 9 -Energy at sites (8, 9) is -107.199617421885 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.199617421892 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (6, 7) is -107.199617421903 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (5, 6) is -107.199617421913 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (8, 9) is -107.199617421903 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (7, 8) is -107.199617421908 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (6, 7) is -107.199617421913 + Stats: nIt(DAVIDSON) = 23 +Energy at sites (5, 6) is -107.199617421917 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.199617421914 - Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -107.199617421918 + Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.585063 seconds -*** |--> S.join = 0.002784 seconds -*** |--> S.solve = 1.282624 seconds -*** |--> S.split = 0.007137 seconds -*** |--> Tensor update = 0.288828 seconds -*** |--> create = 0.086271 seconds -*** |--> destroy = 0.006298 seconds -*** |--> disk write = 0.087505 seconds -*** |--> disk read = 0.067255 seconds -*** |--> calc = 0.041212 seconds -*** Disk write bandwidth = 9.61292376484737 MB/s -*** Disk read bandwidth = 12.4534225208628 MB/s +*** Elapsed wall time = 0.585356 seconds +*** |--> S.join = 0.002134 seconds +*** |--> S.solve = 0.477136 seconds +*** |--> S.split = 0.003278 seconds +*** |--> Tensor update = 0.10126 seconds +*** |--> create = 0.033718 seconds +*** |--> destroy = 0.002034 seconds +*** |--> disk write = 0.028662 seconds +*** |--> disk read = 0.021461 seconds +*** |--> calc = 0.015317 seconds +*** Disk write bandwidth = 29.3482274106123 MB/s +*** Disk read bandwidth = 39.0268361977832 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3438,9 +3474,9 @@ Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 7 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 Energy at sites (6, 7) is -107.199617421919 @@ -3448,21 +3484,21 @@ Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.108028 seconds -*** |--> S.join = 0.002732 seconds -*** |--> S.solve = 0.805056 seconds -*** |--> S.split = 0.007124 seconds -*** |--> Tensor update = 0.289489 seconds -*** |--> create = 0.088357 seconds -*** |--> destroy = 0.006142 seconds -*** |--> disk write = 0.087862 seconds -*** |--> disk read = 0.066671 seconds -*** |--> calc = 0.040183 seconds -*** Disk write bandwidth = 9.53261855683487 MB/s -*** Disk read bandwidth = 12.6168633145291 MB/s +*** Elapsed wall time = 0.382947 seconds +*** |--> S.join = 0.00203 seconds +*** |--> S.solve = 0.275302 seconds +*** |--> S.split = 0.00322 seconds +*** |--> Tensor update = 0.101253 seconds +*** |--> create = 0.034532 seconds +*** |--> destroy = 0.002227 seconds +*** |--> disk write = 0.028348 seconds +*** |--> disk read = 0.021262 seconds +*** |--> calc = 0.01482 seconds +*** Disk write bandwidth = 29.5454681684995 MB/s +*** Disk read bandwidth = 39.5625479278981 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.78905803902308e-11 +*** Energy difference with respect to previous leftright sweep = 2.49258391704643e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3477,54 +3513,54 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 - NOON of irrep Ag = [ 1.99998814651129 , 1.98924041566259 , 1.8768785800867 ]. - NOON of irrep B2g = [ 0.139387811361305 ]. - NOON of irrep B3g = [ 1.03112739685296 ]. - NOON of irrep B1u = [ 1.9999943124415 , 1.10839164054524 , 0.0211636956758857 ]. - NOON of irrep B2u = [ 1.96715797367161 ]. - NOON of irrep B3u = [ 1.86667002719092 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00014998000107087 , 0.081841021532007 , 0.449623197768747 , 0.48664505578429 , 0.811029481829685 , 6.68868116309769e-05 , 0.962046613447006 , 0.112095070341348 , 0.167176149964493 , 0.475082461311374 ]. - Idistance(0) = 2.38445939311986 - Idistance(1) = 9.57998274271147 - Idistance(2) = 47.8783646971857 + NOON of irrep Ag = [ 1.99998814651048 , 1.98924041564088 , 1.8768785798706 ]. + NOON of irrep B2g = [ 0.139387811319652 ]. + NOON of irrep B3g = [ 1.03112739715114 ]. + NOON of irrep B1u = [ 1.99999431244148 , 1.10839164068938 , 0.0211636956927343 ]. + NOON of irrep B2u = [ 1.96715797353616 ]. + NOON of irrep B3u = [ 1.86667002714748 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980010374382 , 0.0818410216512378 , 0.449623198328254 , 0.486645055673857 , 0.811029481825564 , 6.6886811726816e-05 , 0.962046613672913 , 0.112095070402955 , 0.16717615053585 , 0.475082461365939 ]. + Idistance(0) = 2.38445939158483 + Idistance(1) = 9.57998273888047 + Idistance(2) = 47.8783646828244 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.745455 seconds -*** |--> MPS gauge change = 0.005227 seconds -*** |--> Diagram calc = 0.045989 seconds -*** |--> Tensor update = 0.690779 seconds -*** |--> create = 0.205704 seconds -*** |--> destroy = 0.015105 seconds -*** |--> disk write = 0.204528 seconds -*** |--> disk read = 0.158374 seconds -*** |--> calc = 0.105914 seconds -*** Disk write bandwidth = 8.33944657743607 MB/s -*** Disk read bandwidth = 10.7697622689952 MB/s +*** Elapsed wall time = 0.262213 seconds +*** |--> MPS gauge change = 0.002101 seconds +*** |--> Diagram calc = 0.017034 seconds +*** |--> Tensor update = 0.240813 seconds +*** |--> create = 0.080958 seconds +*** |--> destroy = 0.004944 seconds +*** |--> disk write = 0.066085 seconds +*** |--> disk read = 0.0508 seconds +*** |--> calc = 0.037734 seconds +*** Disk write bandwidth = 25.8099467290587 MB/s +*** Disk read bandwidth = 33.5757938895639 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 = 0.013843 seconds -FCI::matvec : Wall time = 0.013771 seconds -FCI::matvec : Wall time = 0.013733 seconds -FCI::matvec : Wall time = 0.013618 seconds -FCI::matvec : Wall time = 0.013646 seconds -FCI::matvec : Wall time = 0.013578 seconds -FCI::matvec : Wall time = 0.013598 seconds -FCI::matvec : Wall time = 0.013724 seconds -FCI::matvec : Wall time = 0.013608 seconds -FCI::matvec : Wall time = 0.013635 seconds -FCI::matvec : Wall time = 0.013839 seconds -FCI::matvec : Wall time = 0.013797 seconds -FCI::matvec : Wall time = 0.013795 seconds -FCI::matvec : Wall time = 0.013747 seconds -FCI::matvec : Wall time = 0.013796 seconds -FCI::matvec : Wall time = 0.013761 seconds -FCI::matvec : Wall time = 0.013804 seconds -FCI::matvec : Wall time = 0.013824 seconds -FCI::matvec : Wall time = 0.013841 seconds -FCI::matvec : Wall time = 0.013843 seconds -FCI::matvec : Wall time = 0.0138 seconds +FCI::matvec : Wall time = 0.004833 seconds +FCI::matvec : Wall time = 0.004858 seconds +FCI::matvec : Wall time = 0.004819 seconds +FCI::matvec : Wall time = 0.004967 seconds +FCI::matvec : Wall time = 0.004798 seconds +FCI::matvec : Wall time = 0.004841 seconds +FCI::matvec : Wall time = 0.004812 seconds +FCI::matvec : Wall time = 0.004801 seconds +FCI::matvec : Wall time = 0.004789 seconds +FCI::matvec : Wall time = 0.004806 seconds +FCI::matvec : Wall time = 0.004795 seconds +FCI::matvec : Wall time = 0.004795 seconds +FCI::matvec : Wall time = 0.004816 seconds +FCI::matvec : Wall time = 0.004821 seconds +FCI::matvec : Wall time = 0.004787 seconds +FCI::matvec : Wall time = 0.004818 seconds +FCI::matvec : Wall time = 0.004822 seconds +FCI::matvec : Wall time = 0.004787 seconds +FCI::matvec : Wall time = 0.004841 seconds +FCI::matvec : Wall time = 0.004874 seconds +FCI::matvec : Wall time = 0.004841 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 @@ -3541,7 +3577,7 @@ debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12' dh_auto_install - cd obj-arm-linux-gnueabihf && make -j3 install DESTDIR=/build/reproducible-path/chemps2-1.8.12/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-arm-linux-gnueabihf && make -j4 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-arm-linux-gnueabihf' Install the project... -- Install configuration: "release" @@ -3556,56 +3592,56 @@ -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/lib/arm-linux-gnueabihf/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/Lapack.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/FCI.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF0.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/TensorKM.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/TensorO.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/CASSCF.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/MPIchemps2.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/Hamiltonian.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/Special.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/TwoIndex.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/Davidson.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/Correlations.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/DMRGSCFwtilde.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/Excitation.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/ConvergenceScheme.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/TensorGYZ.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/CASSCF.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/Davidson.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/DMRGSCFrotations.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/Tensor.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/TensorS1.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/Heff.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/Cumulant.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/DMRGSCFrotations.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/Sobject.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/FCI.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/Wigner.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/Problem.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/DMRGSCFoptions.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/Irreps.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/MPIchemps2.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorGYZ.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Special.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConjugateGradient.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.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/TensorF0.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorKM.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.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/TensorT.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/DMRGSCFintegrals.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/TensorOperator.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/TensorL.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/Tensor3RDM.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF1.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Initialize.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoDM.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/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/DMRGSCFoptions.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/Irreps.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/TensorQ.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 @@ -3674,7 +3710,7 @@ 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_armhf) -+++ dpkg-gensymbolsue3KSj 2025-04-25 18:58:07.973407740 -1200 ++++ dpkg-gensymbols2Z5IPa 2025-04-26 21:04:21.594422099 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3739,11 +3775,11 @@ diversion by libc6 from: /lib/ld-linux-armhf.so.3 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-armhf.so.3.usr-is-merged -dpkg-shlibdeps: warning: debian/chemps2/usr/bin/chemps2 contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-armhf.so.3 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-armhf.so.3.usr-is-merged +dpkg-shlibdeps: warning: debian/chemps2/usr/bin/chemps2 contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin dpkg-shlibdeps: warning: symbol __aeabi_atexit@CXXABI_ARM_1.3.3 used by debian/libchemps2-3t64/usr/lib/arm-linux-gnueabihf/libchemps2.so.3 found in none of the libraries dh_installdeb dh_gencontrol @@ -3752,13 +3788,13 @@ dh_md5sums dh_builddeb dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-4_armhf.deb'. -dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. +dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-4_armhf.deb'. +dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-4_armhf.deb'. dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-4_armhf.deb'. +dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-4_armhf.deb'. dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-4_armhf.deb'. -dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-4_armhf.deb'. +dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-4_armhf.deb'. -dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-4_armhf.deb'. -dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-4_armhf.deb'. dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-4_armhf.buildinfo dpkg-genchanges --build=binary -O../chemps2_1.8.12-4_armhf.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -3766,12 +3802,14 @@ 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/11743/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/11743/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/3569 and its subdirectories -I: Current time: Fri Apr 25 18:58:54 -12 2025 -I: pbuilder-time-stamp: 1745650734 +I: removing directory /srv/workspace/pbuilder/11743 and its subdirectories +I: Current time: Sat Apr 26 21:04:34 +14 2025 +I: pbuilder-time-stamp: 1745651074