Diff of the two buildlogs: -- --- b1/build.log 2023-04-13 16:43:37.940028733 +0000 +++ b2/build.log 2023-04-13 16:46:27.008522201 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Thu Apr 13 04:39:09 -12 2023 -I: pbuilder-time-stamp: 1681403949 +I: Current time: Thu May 16 13:06:39 +14 2024 +I: pbuilder-time-stamp: 1715814399 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/bookworm-reproducible-base.tgz] I: copying local configuration @@ -17,7 +17,7 @@ I: copying [./chemps2_1.8.12.orig.tar.gz] I: copying [./chemps2_1.8.12-1.debian.tar.xz] I: Extracting source -gpgv: Signature made Sun Jul 3 01:26:51 2022 -12 +gpgv: Signature made Mon Jul 4 03:26:51 2022 +14 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./chemps2_1.8.12-1.dsc: no acceptable signature found @@ -26,137 +26,146 @@ dpkg-source: info: unpacking chemps2_1.8.12-1.debian.tar.xz I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/7915/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/10173/tmp/hooks/D01_modify_environment starting +debug: Running on ionos16-i386. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +lrwxrwxrwx 1 root root 4 Jan 6 2023 /bin/sh -> dash +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/10173/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/10173/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME='pbuilder2' BUILD_ARCH='i386' DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=8' + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=15' DISTRIBUTION='bookworm' HOME='/root' HOST_ARCH='i386' IFS=' ' - INVOCATION_ID='1c5f2559eaf8432582a99f329f10af53' + INVOCATION_ID='515363a5f1204e158633ace9c53a8ef5' LANG='C' - LANGUAGE='en_US:en' + LANGUAGE='de_CH:de' LC_ALL='C' LD_LIBRARY_PATH='/usr/lib/libeatmydata' LD_PRELOAD='libeatmydata.so' MAIL='/var/mail/root' OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' + 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' - PPID='7915' + PPID='10173' PS1='# ' PS2='> ' 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.D2HODRp9/pbuilderrc_bIhL --distribution bookworm --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.D2HODRp9/b1 --logfile b1/build.log chemps2_1.8.12-1.dsc' + 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.D2HODRp9/pbuilderrc_0IRG --distribution bookworm --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.D2HODRp9/b2 --logfile b2/build.log --extrapackages usrmerge chemps2_1.8.12-1.dsc' SUDO_GID='112' SUDO_UID='107' SUDO_USER='jenkins' TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' + TZ='/usr/share/zoneinfo/Etc/GMT-14' USER='root' _='/usr/bin/systemd-run' - http_proxy='http://78.137.99.97:3128' + http_proxy='http://85.184.249.68:3128' I: uname -a - Linux ionos12-i386 5.10.0-21-686-pae #1 SMP Debian 5.10.162-1 (2023-01-21) i686 GNU/Linux + Linux i-capture-the-hostname 5.10.0-21-amd64 #1 SMP Debian 5.10.162-1 (2023-01-21) x86_64 GNU/Linux I: ls -l /bin total 6040 - -rwxr-xr-x 1 root root 1408088 Feb 12 08:21 bash - -rwxr-xr-x 3 root root 38404 Sep 18 2022 bunzip2 - -rwxr-xr-x 3 root root 38404 Sep 18 2022 bzcat - lrwxrwxrwx 1 root root 6 Sep 18 2022 bzcmp -> bzdiff - -rwxr-xr-x 1 root root 2225 Sep 18 2022 bzdiff - lrwxrwxrwx 1 root root 6 Sep 18 2022 bzegrep -> bzgrep - -rwxr-xr-x 1 root root 4893 Nov 27 2021 bzexe - lrwxrwxrwx 1 root root 6 Sep 18 2022 bzfgrep -> bzgrep - -rwxr-xr-x 1 root root 3775 Sep 18 2022 bzgrep - -rwxr-xr-x 3 root root 38404 Sep 18 2022 bzip2 - -rwxr-xr-x 1 root root 17892 Sep 18 2022 bzip2recover - lrwxrwxrwx 1 root root 6 Sep 18 2022 bzless -> bzmore - -rwxr-xr-x 1 root root 1297 Sep 18 2022 bzmore - -rwxr-xr-x 1 root root 42920 Sep 20 2022 cat - -rwxr-xr-x 1 root root 79816 Sep 20 2022 chgrp - -rwxr-xr-x 1 root root 67496 Sep 20 2022 chmod - -rwxr-xr-x 1 root root 79816 Sep 20 2022 chown - -rwxr-xr-x 1 root root 162024 Sep 20 2022 cp - -rwxr-xr-x 1 root root 136916 Jan 5 01:20 dash - -rwxr-xr-x 1 root root 137160 Sep 20 2022 date - -rwxr-xr-x 1 root root 100364 Sep 20 2022 dd - -rwxr-xr-x 1 root root 108940 Sep 20 2022 df - -rwxr-xr-x 1 root root 162152 Sep 20 2022 dir - -rwxr-xr-x 1 root root 87760 Mar 22 22:20 dmesg - lrwxrwxrwx 1 root root 8 Dec 19 01:33 dnsdomainname -> hostname - lrwxrwxrwx 1 root root 8 Dec 19 01:33 domainname -> hostname - -rwxr-xr-x 1 root root 38760 Sep 20 2022 echo - -rwxr-xr-x 1 root root 41 Jan 24 02:43 egrep - -rwxr-xr-x 1 root root 34664 Sep 20 2022 false - -rwxr-xr-x 1 root root 41 Jan 24 02:43 fgrep - -rwxr-xr-x 1 root root 84272 Mar 22 22:20 findmnt - -rwsr-xr-x 1 root root 30240 Mar 22 20:38 fusermount - -rwxr-xr-x 1 root root 218680 Jan 24 02:43 grep - -rwxr-xr-x 2 root root 2346 Apr 9 2022 gunzip - -rwxr-xr-x 1 root root 6447 Apr 9 2022 gzexe - -rwxr-xr-x 1 root root 100952 Apr 9 2022 gzip - -rwxr-xr-x 1 root root 21916 Dec 19 01:33 hostname - -rwxr-xr-x 1 root root 75756 Sep 20 2022 ln - -rwxr-xr-x 1 root root 55600 Mar 22 23:43 login - -rwxr-xr-x 1 root root 162152 Sep 20 2022 ls - -rwxr-xr-x 1 root root 214568 Mar 22 22:20 lsblk - -rwxr-xr-x 1 root root 96328 Sep 20 2022 mkdir - -rwxr-xr-x 1 root root 84008 Sep 20 2022 mknod - -rwxr-xr-x 1 root root 38792 Sep 20 2022 mktemp - -rwxr-xr-x 1 root root 63016 Mar 22 22:20 more - -rwsr-xr-x 1 root root 58912 Mar 22 22:20 mount - -rwxr-xr-x 1 root root 13856 Mar 22 22:20 mountpoint - -rwxr-xr-x 1 root root 157932 Sep 20 2022 mv - lrwxrwxrwx 1 root root 8 Dec 19 01:33 nisdomainname -> hostname - lrwxrwxrwx 1 root root 14 Dec 18 05:00 pidof -> /sbin/killall5 - -rwxr-xr-x 1 root root 38792 Sep 20 2022 pwd - lrwxrwxrwx 1 root root 4 Feb 12 08:21 rbash -> bash - -rwxr-xr-x 1 root root 51080 Sep 20 2022 readlink - -rwxr-xr-x 1 root root 75720 Sep 20 2022 rm - -rwxr-xr-x 1 root root 51080 Sep 20 2022 rmdir - -rwxr-xr-x 1 root root 22308 Nov 2 04:31 run-parts - -rwxr-xr-x 1 root root 133224 Jan 5 07:55 sed - lrwxrwxrwx 1 root root 4 Jan 5 01:20 sh -> dash - -rwxr-xr-x 1 root root 38760 Sep 20 2022 sleep - -rwxr-xr-x 1 root root 87976 Sep 20 2022 stty - -rwsr-xr-x 1 root root 83492 Mar 22 22:20 su - -rwxr-xr-x 1 root root 38792 Sep 20 2022 sync - -rwxr-xr-x 1 root root 602584 Feb 16 2021 tar - -rwxr-xr-x 1 root root 13860 Nov 2 04:31 tempfile - -rwxr-xr-x 1 root root 120776 Sep 20 2022 touch - -rwxr-xr-x 1 root root 34664 Sep 20 2022 true - -rwxr-xr-x 1 root root 17892 Mar 22 20:38 ulockmgr_server - -rwsr-xr-x 1 root root 30236 Mar 22 22:20 umount - -rwxr-xr-x 1 root root 38760 Sep 20 2022 uname - -rwxr-xr-x 2 root root 2346 Apr 9 2022 uncompress - -rwxr-xr-x 1 root root 162152 Sep 20 2022 vdir - -rwxr-xr-x 1 root root 71216 Mar 22 22:20 wdctl - lrwxrwxrwx 1 root root 8 Dec 19 01:33 ypdomainname -> hostname - -rwxr-xr-x 1 root root 1984 Apr 9 2022 zcat - -rwxr-xr-x 1 root root 1678 Apr 9 2022 zcmp - -rwxr-xr-x 1 root root 6460 Apr 9 2022 zdiff - -rwxr-xr-x 1 root root 29 Apr 9 2022 zegrep - -rwxr-xr-x 1 root root 29 Apr 9 2022 zfgrep - -rwxr-xr-x 1 root root 2081 Apr 9 2022 zforce - -rwxr-xr-x 1 root root 8103 Apr 9 2022 zgrep - -rwxr-xr-x 1 root root 2206 Apr 9 2022 zless - -rwxr-xr-x 1 root root 1842 Apr 9 2022 zmore - -rwxr-xr-x 1 root root 4577 Apr 9 2022 znew -I: user script /srv/workspace/pbuilder/7915/tmp/hooks/D02_print_environment finished + -rwxr-xr-x 1 root root 1408088 Feb 13 2023 bash + -rwxr-xr-x 3 root root 38404 Sep 19 2022 bunzip2 + -rwxr-xr-x 3 root root 38404 Sep 19 2022 bzcat + lrwxrwxrwx 1 root root 6 Sep 19 2022 bzcmp -> bzdiff + -rwxr-xr-x 1 root root 2225 Sep 19 2022 bzdiff + lrwxrwxrwx 1 root root 6 Sep 19 2022 bzegrep -> bzgrep + -rwxr-xr-x 1 root root 4893 Nov 28 2021 bzexe + lrwxrwxrwx 1 root root 6 Sep 19 2022 bzfgrep -> bzgrep + -rwxr-xr-x 1 root root 3775 Sep 19 2022 bzgrep + -rwxr-xr-x 3 root root 38404 Sep 19 2022 bzip2 + -rwxr-xr-x 1 root root 17892 Sep 19 2022 bzip2recover + lrwxrwxrwx 1 root root 6 Sep 19 2022 bzless -> bzmore + -rwxr-xr-x 1 root root 1297 Sep 19 2022 bzmore + -rwxr-xr-x 1 root root 42920 Sep 21 2022 cat + -rwxr-xr-x 1 root root 79816 Sep 21 2022 chgrp + -rwxr-xr-x 1 root root 67496 Sep 21 2022 chmod + -rwxr-xr-x 1 root root 79816 Sep 21 2022 chown + -rwxr-xr-x 1 root root 162024 Sep 21 2022 cp + -rwxr-xr-x 1 root root 136916 Jan 6 2023 dash + -rwxr-xr-x 1 root root 137160 Sep 21 2022 date + -rwxr-xr-x 1 root root 100364 Sep 21 2022 dd + -rwxr-xr-x 1 root root 108940 Sep 21 2022 df + -rwxr-xr-x 1 root root 162152 Sep 21 2022 dir + -rwxr-xr-x 1 root root 87760 Mar 24 2023 dmesg + lrwxrwxrwx 1 root root 8 Dec 20 2022 dnsdomainname -> hostname + lrwxrwxrwx 1 root root 8 Dec 20 2022 domainname -> hostname + -rwxr-xr-x 1 root root 38760 Sep 21 2022 echo + -rwxr-xr-x 1 root root 41 Jan 25 2023 egrep + -rwxr-xr-x 1 root root 34664 Sep 21 2022 false + -rwxr-xr-x 1 root root 41 Jan 25 2023 fgrep + -rwxr-xr-x 1 root root 84272 Mar 24 2023 findmnt + -rwsr-xr-x 1 root root 30240 Mar 23 2023 fusermount + -rwxr-xr-x 1 root root 218680 Jan 25 2023 grep + -rwxr-xr-x 2 root root 2346 Apr 10 2022 gunzip + -rwxr-xr-x 1 root root 6447 Apr 10 2022 gzexe + -rwxr-xr-x 1 root root 100952 Apr 10 2022 gzip + -rwxr-xr-x 1 root root 21916 Dec 20 2022 hostname + -rwxr-xr-x 1 root root 75756 Sep 21 2022 ln + -rwxr-xr-x 1 root root 55600 Mar 24 2023 login + -rwxr-xr-x 1 root root 162152 Sep 21 2022 ls + -rwxr-xr-x 1 root root 214568 Mar 24 2023 lsblk + -rwxr-xr-x 1 root root 96328 Sep 21 2022 mkdir + -rwxr-xr-x 1 root root 84008 Sep 21 2022 mknod + -rwxr-xr-x 1 root root 38792 Sep 21 2022 mktemp + -rwxr-xr-x 1 root root 63016 Mar 24 2023 more + -rwsr-xr-x 1 root root 58912 Mar 24 2023 mount + -rwxr-xr-x 1 root root 13856 Mar 24 2023 mountpoint + -rwxr-xr-x 1 root root 157932 Sep 21 2022 mv + lrwxrwxrwx 1 root root 8 Dec 20 2022 nisdomainname -> hostname + lrwxrwxrwx 1 root root 14 Dec 19 2022 pidof -> /sbin/killall5 + -rwxr-xr-x 1 root root 38792 Sep 21 2022 pwd + lrwxrwxrwx 1 root root 4 Feb 13 2023 rbash -> bash + -rwxr-xr-x 1 root root 51080 Sep 21 2022 readlink + -rwxr-xr-x 1 root root 75720 Sep 21 2022 rm + -rwxr-xr-x 1 root root 51080 Sep 21 2022 rmdir + -rwxr-xr-x 1 root root 22308 Nov 3 2022 run-parts + -rwxr-xr-x 1 root root 133224 Jan 6 2023 sed + lrwxrwxrwx 1 root root 4 Jan 6 2023 sh -> dash + -rwxr-xr-x 1 root root 38760 Sep 21 2022 sleep + -rwxr-xr-x 1 root root 87976 Sep 21 2022 stty + -rwsr-xr-x 1 root root 83492 Mar 24 2023 su + -rwxr-xr-x 1 root root 38792 Sep 21 2022 sync + -rwxr-xr-x 1 root root 602584 Feb 17 2021 tar + -rwxr-xr-x 1 root root 13860 Nov 3 2022 tempfile + -rwxr-xr-x 1 root root 120776 Sep 21 2022 touch + -rwxr-xr-x 1 root root 34664 Sep 21 2022 true + -rwxr-xr-x 1 root root 17892 Mar 23 2023 ulockmgr_server + -rwsr-xr-x 1 root root 30236 Mar 24 2023 umount + -rwxr-xr-x 1 root root 38760 Sep 21 2022 uname + -rwxr-xr-x 2 root root 2346 Apr 10 2022 uncompress + -rwxr-xr-x 1 root root 162152 Sep 21 2022 vdir + -rwxr-xr-x 1 root root 71216 Mar 24 2023 wdctl + lrwxrwxrwx 1 root root 8 Dec 20 2022 ypdomainname -> hostname + -rwxr-xr-x 1 root root 1984 Apr 10 2022 zcat + -rwxr-xr-x 1 root root 1678 Apr 10 2022 zcmp + -rwxr-xr-x 1 root root 6460 Apr 10 2022 zdiff + -rwxr-xr-x 1 root root 29 Apr 10 2022 zegrep + -rwxr-xr-x 1 root root 29 Apr 10 2022 zfgrep + -rwxr-xr-x 1 root root 2081 Apr 10 2022 zforce + -rwxr-xr-x 1 root root 8103 Apr 10 2022 zgrep + -rwxr-xr-x 1 root root 2206 Apr 10 2022 zless + -rwxr-xr-x 1 root root 1842 Apr 10 2022 zmore + -rwxr-xr-x 1 root root 4577 Apr 10 2022 znew +I: user script /srv/workspace/pbuilder/10173/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -346,7 +355,7 @@ Get: 122 http://deb.debian.org/debian bookworm/main i386 python3-snowballstemmer all 2.2.0-2 [57.8 kB] Get: 123 http://deb.debian.org/debian bookworm/main i386 sphinx-common all 5.3.0-4 [653 kB] Get: 124 http://deb.debian.org/debian bookworm/main i386 python3-sphinx all 5.3.0-4 [549 kB] -Fetched 90.4 MB in 3s (31.0 MB/s) +Fetched 90.4 MB in 1s (80.3 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.11-minimal:i386. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19604 files and directories currently installed.) @@ -876,10 +885,17 @@ Reading package lists... Building dependency tree... Reading state information... +usrmerge is already the newest version (35). fakeroot is already the newest version (1.31-1.2). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/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_1.8.12-1_source.changes +I: user script /srv/workspace/pbuilder/10173/tmp/hooks/A99_set_merged_usr starting +Re-configuring usrmerge... +removed '/etc/unsupported-skip-usrmerge-conversion' +The system has been successfully converted. +I: user script /srv/workspace/pbuilder/10173/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/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_1.8.12-1_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.12-1 dpkg-buildpackage: info: source distribution unstable @@ -948,7 +964,7 @@ debian/rules override_dh_auto_build make[1]: Entering directory '/build/chemps2-1.8.12' dh_auto_build -- VERBOSE=1 - cd obj-i686-linux-gnu && make -j8 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 + cd obj-i686-linux-gnu && make -j15 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 make[2]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' /usr/bin/cmake -S/build/chemps2-1.8.12 -B/build/chemps2-1.8.12/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/chemps2-1.8.12/obj-i686-linux-gnu/CMakeFiles /build/chemps2-1.8.12/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -961,34 +977,34 @@ make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' [ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCF.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCF.cpp -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCFpt2.cpp -[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCFdebug.cpp -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASPT2.cpp cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCFnewtonraphson.cpp -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -MF CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /build/chemps2-1.8.12/CheMPS2/ConjugateGradient.cpp +[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o +[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -MF CMakeFiles/chemps2-base.dir/Correlations.cpp.o.d -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Correlations.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASPT2.cpp +[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCFdebug.cpp +[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o +[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o +[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o [ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -MF CMakeFiles/chemps2-base.dir/Cumulant.cpp.o.d -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Cumulant.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCFpt2.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -MF CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /build/chemps2-1.8.12/CheMPS2/ConjugateGradient.cpp [ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -MF CMakeFiles/chemps2-base.dir/Davidson.cpp.o.d -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Davidson.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -MF CMakeFiles/chemps2-base.dir/Correlations.cpp.o.d -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Correlations.cpp [ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -MF CMakeFiles/chemps2-base.dir/Cumulant.cpp.o.d -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Cumulant.cpp [ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -MF CMakeFiles/chemps2-base.dir/Davidson.cpp.o.d -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Davidson.cpp cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRG.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRG.cpp -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -MF CMakeFiles/chemps2-base.dir/DIIS.cpp.o.d -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DIIS.cpp [ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGfock.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -MF CMakeFiles/chemps2-base.dir/DIIS.cpp.o.d -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DIIS.cpp [ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGmpsio.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGfock.cpp [ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGmpsio.cpp cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGoperators.cpp [ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGoperators3RDM.cpp @@ -1007,8 +1023,8 @@ [ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGSCFwtilde.cpp [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGtechnics.cpp +[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -MF CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o.d -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /build/chemps2-1.8.12/CheMPS2/EdmistonRuedenberg.cpp [ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o -MF CMakeFiles/chemps2-base.dir/Excitation.cpp.o.d -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Excitation.cpp @@ -1023,19 +1039,19 @@ [ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -c /build/chemps2-1.8.12/CheMPS2/HeffDiagonal.cpp [ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /build/chemps2-1.8.12/CheMPS2/HeffDiagrams1.cpp +[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /build/chemps2-1.8.12/CheMPS2/HeffDiagrams2.cpp +[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -c /build/chemps2-1.8.12/CheMPS2/HeffDiagrams3.cpp [ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -c /build/chemps2-1.8.12/CheMPS2/HeffDiagrams4.cpp [ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -c /build/chemps2-1.8.12/CheMPS2/HeffDiagrams5.cpp -[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o -MF CMakeFiles/chemps2-base.dir/Initialize.cpp.o.d -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Initialize.cpp [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o +[ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o -MF CMakeFiles/chemps2-base.dir/Irreps.cpp.o.d -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Irreps.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o -MF CMakeFiles/chemps2-base.dir/Initialize.cpp.o.d -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Initialize.cpp [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o -MF CMakeFiles/chemps2-base.dir/Molden.cpp.o.d -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Molden.cpp [ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o @@ -1089,17 +1105,17 @@ make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/CheMPS2 /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 66%] Linking CXX shared library libchemps2.so -[ 67%] Linking CXX static library libchemps2.a -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 +[ 66%] Linking CXX static library libchemps2.a +[ 67%] Linking CXX shared library libchemps2.so cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake -/usr/bin/c++ -fPIC -flto 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-Wl,-Bdynamic -lm /usr/bin/ar qc libchemps2.a "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o" /usr/bin/ranlib libchemps2.a make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' @@ -1113,195 +1129,195 @@ 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/chemps2-1.8.12/obj-i686-linux-gnu' +cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/CheMPS2 /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake --color= make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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/build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -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[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 68%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API 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-fstack-protector-strong -Wformat -Werror=format-security -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/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test3.cpp -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -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/chemps2-1.8.12/CheMPS2/executable.cpp -[ 72%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o -[ 73%] 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tests/CMakeFiles/test6.dir/tests/test6.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -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/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test5.cpp -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test6.dir/tests/test6.cpp.o -MF CMakeFiles/test6.dir/tests/test6.cpp.o.d -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test6.cpp -[ 77%] Linking CXX executable test5 -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 -[ 78%] Linking CXX executable test4 -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 79%] Linking CXX executable test7 -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 80%] Linking CXX executable test6 -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/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/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 81%] Linking CXX executable test1 -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 -[ 82%] Linking CXX executable test2 -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 83%] Linking CXX executable test3 -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 84%] Linking CXX executable chemps2 -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 84%] Built target test5 -make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake --color= -[ 84%] Built target test4 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake --color= -[ 85%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test8.dir/tests/test8.cpp.o -MF CMakeFiles/test8.dir/tests/test8.cpp.o.d -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test8.cpp make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 86%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test9.dir/tests/test9.cpp.o -MF CMakeFiles/test9.dir/tests/test9.cpp.o.d -o CMakeFiles/test9.dir/tests/test9.cpp.o -c /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test9.cpp make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 86%] Built target test6 -make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend +make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake --color= -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 88%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test10.dir/tests/test10.cpp.o -MF CMakeFiles/test10.dir/tests/test10.cpp.o.d -o CMakeFiles/test10.dir/tests/test10.cpp.o -c /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test10.cpp make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 88%] Built target test2 -make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake --color= +make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build +make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 89%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -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/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test11.cpp -[ 89%] Built target test3 -make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake --color= -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build +make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 90%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o -cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test12.dir/tests/test12.cpp.o -MF CMakeFiles/test12.dir/tests/test12.cpp.o.d -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test12.cpp -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 90%] Built target test7 -make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake --color= -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 90%] Built target test1 -make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/chemps2-1.8.12/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-i686-linux-gnu /build/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake --color= -[ 91%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o +[ 69%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o +[ 69%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -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/chemps2-1.8.12/CheMPS2/executable.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security 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/build/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test5.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -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/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test3.cpp +[ 72%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o +[ 73%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o +[ 75%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o +[ 76%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -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/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test4.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test6.dir/tests/test6.cpp.o -MF CMakeFiles/test6.dir/tests/test6.cpp.o.d -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test6.cpp +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -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/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test1.cpp +[ 77%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API 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CMakeFiles/test11.dir/tests/test11.cpp.o -c /build/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test11.cpp +[ 79%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o +[ 80%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o +[ 78%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o +[ 81%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test9.dir/tests/test9.cpp.o -MF CMakeFiles/test9.dir/tests/test9.cpp.o.d -o CMakeFiles/test9.dir/tests/test9.cpp.o -c 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-llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 98%] Linking CXX executable test10 +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +[ 98%] Built target test13 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +[ 98%] Built target test8 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +[ 98%] Built target test14 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +[ 98%] Built target test3 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[100%] Built target test9 +[ 98%] Built target test9 +[ 98%] Built target test4 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[100%] Built target test14 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[100%] Built target test12 +[ 98%] Built target test11 +[ 98%] Built target test2 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +[ 98%] Built target test12 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +[ 98%] Built target test5 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +[ 98%] Built target test6 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +[ 98%] Built target test1 +[100%] Linking CXX executable chemps2 +cd /build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[100%] Built target test7 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[100%] Built target test13 [100%] Built target test10 -[100%] Built target test11 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' [100%] Built target chemps2-bin make[3]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' @@ -1393,16 +1409,16 @@ cd obj-i686-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /build/chemps2-1.8.12/obj-i686-linux-gnu Start 3: test3 -1/3 Test #3: test3 ............................ Passed 3.80 sec +1/3 Test #3: test3 ............................ Passed 30.41 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 7.86 sec +2/3 Test #5: test5 ............................ Passed 8.10 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 10.77 sec +3/3 Test #8: test8 ............................ Passed 1.66 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 22.43 sec -cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-i686-cpython-311:.. \ +Total Test time (real) = 40.17 sec +cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-cpython-311:.. \ LD_LIBRARY_PATH=../../obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial \ python3 test1.py CheMPS2::Hamiltonian : Reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP @@ -1425,213 +1441,213 @@ 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) = 10 -Energy at sites (8, 9) is -101.494696143996 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (7, 8) is -106.852613793892 - Stats: nIt(DAVIDSON) = 52 -Energy at sites (6, 7) is -106.873449396914 - Stats: nIt(DAVIDSON) = 63 -Energy at sites (5, 6) is -106.907059564476 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -98.3776569306697 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (7, 8) is -106.853228445159 + Stats: nIt(DAVIDSON) = 61 +Energy at sites (6, 7) is -106.881929444047 + Stats: nIt(DAVIDSON) = 64 +Energy at sites (5, 6) is -106.906202015603 Stats: nIt(DAVIDSON) = 38 -Energy at sites (4, 5) is -107.630513590884 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (3, 4) is -107.648078772069 +Energy at sites (4, 5) is -107.633180339494 + Stats: nIt(DAVIDSON) = 30 +Energy at sites (3, 4) is -107.648104995704 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648078772069 +Energy at sites (2, 3) is -107.648104995704 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648078772069 +Energy at sites (1, 2) is -107.648104995704 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.756046 seconds -*** |--> S.join = 0.03759 seconds -*** |--> S.solve = 2.418078 seconds -*** |--> S.split = 0.09705 seconds -*** |--> Tensor update = 0.203066 seconds -*** |--> create = 0.029414 seconds -*** |--> destroy = 0.002422 seconds -*** |--> disk write = 0.015823 seconds -*** |--> disk read = 0.012424 seconds -*** |--> calc = 0.142895 seconds -*** Disk write bandwidth = 37.0321928953797 MB/s -*** Disk read bandwidth = 47.3232478076078 MB/s -*** Minimum energy = -107.648078772069 +*** Elapsed wall time = 0.256065 seconds +*** |--> S.join = 0.000756 seconds +*** |--> S.solve = 0.209799 seconds +*** |--> S.split = 0.001952 seconds +*** |--> Tensor update = 0.043461 seconds +*** |--> create = 0.022509 seconds +*** |--> destroy = 0.001164 seconds +*** |--> disk write = 0.010537 seconds +*** |--> disk read = 0.006148 seconds +*** |--> calc = 0.003068 seconds +*** Disk write bandwidth = 55.6097929376097 MB/s +*** Disk read bandwidth = 95.6317551661872 MB/s +*** Minimum energy = -107.648104995704 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648078772069 +Energy at sites (0, 1) is -107.648104995704 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648078772069 +Energy at sites (1, 2) is -107.648104995704 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648078772069 +Energy at sites (2, 3) is -107.648104995704 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648078772069 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -107.648105780487 +Energy at sites (3, 4) is -107.648104995704 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.648124884209 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250694239 +Energy at sites (5, 6) is -107.648250709103 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250694239 +Energy at sites (6, 7) is -107.648250709103 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250694239 +Energy at sites (7, 8) is -107.648250709103 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.731067 seconds -*** |--> S.join = 0.042041 seconds -*** |--> S.solve = 0.364947 seconds -*** |--> S.split = 0.107368 seconds -*** |--> Tensor update = 0.216484 seconds -*** |--> create = 0.031971 seconds -*** |--> destroy = 0.002382 seconds -*** |--> disk write = 0.014875 seconds -*** |--> disk read = 0.011734 seconds -*** |--> calc = 0.15544 seconds -*** Disk write bandwidth = 39.5256491268382 MB/s -*** Disk read bandwidth = 49.936968483347 MB/s -*** Minimum energy = -107.648250694239 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250694239 +*** Elapsed wall time = 0.06679 seconds +*** |--> S.join = 0.00075 seconds +*** |--> S.solve = 0.020804 seconds +*** |--> S.split = 0.001857 seconds +*** |--> Tensor update = 0.043296 seconds +*** |--> create = 0.022482 seconds +*** |--> destroy = 0.00112 seconds +*** |--> disk write = 0.010381 seconds +*** |--> disk read = 0.006073 seconds +*** |--> calc = 0.003212 seconds +*** Disk write bandwidth = 56.636550502044 MB/s +*** Disk read bandwidth = 96.4861498738011 MB/s +*** Minimum energy = -107.648250709103 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.648250709103 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250694239 +Energy at sites (8, 9) is -107.648250709103 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250694239 +Energy at sites (7, 8) is -107.648250709103 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250694239 +Energy at sites (6, 7) is -107.648250709103 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250694239 +Energy at sites (5, 6) is -107.648250709103 Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.648250889714 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.64825097263 +Energy at sites (4, 5) is -107.648250876303 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.648250972684 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.64825097263 +Energy at sites (2, 3) is -107.648250972684 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.64825097263 +Energy at sites (1, 2) is -107.648250972684 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.457858 seconds -*** |--> S.join = 0.006825 seconds -*** |--> S.solve = 0.247688 seconds -*** |--> S.split = 0.065726 seconds -*** |--> Tensor update = 0.137447 seconds -*** |--> create = 0.03165 seconds -*** |--> destroy = 0.002462 seconds -*** |--> disk write = 0.014207 seconds -*** |--> disk read = 0.011678 seconds -*** |--> calc = 0.077375 seconds -*** Disk write bandwidth = 41.2444842812412 MB/s -*** Disk read bandwidth = 50.3462948074772 MB/s -*** Minimum energy = -107.64825097263 +*** Elapsed wall time = 0.05747 seconds +*** |--> S.join = 0.000777 seconds +*** |--> S.solve = 0.01151 seconds +*** |--> S.split = 0.001856 seconds +*** |--> Tensor update = 0.043246 seconds +*** |--> create = 0.022751 seconds +*** |--> destroy = 0.001109 seconds +*** |--> disk write = 0.01026 seconds +*** |--> disk read = 0.006019 seconds +*** |--> calc = 0.003078 seconds +*** Disk write bandwidth = 57.1111489457694 MB/s +*** Disk read bandwidth = 97.6813475264527 MB/s +*** Minimum energy = -107.648250972684 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.64825097263 +Energy at sites (0, 1) is -107.648250972684 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.64825097263 +Energy at sites (1, 2) is -107.648250972684 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.64825097263 +Energy at sites (2, 3) is -107.648250972684 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.64825097263 +Energy at sites (3, 4) is -107.648250972684 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.648250972705 +Energy at sites (4, 5) is -107.648250972723 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.648250973996 +Energy at sites (5, 6) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250973996 +Energy at sites (6, 7) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250973996 +Energy at sites (7, 8) is -107.648250973999 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.114473 seconds -*** |--> S.join = 0.019523 seconds -*** |--> S.solve = 0.027554 seconds -*** |--> S.split = 0.002837 seconds -*** |--> Tensor update = 0.064422 seconds -*** |--> create = 0.027068 seconds -*** |--> destroy = 0.002362 seconds -*** |--> disk write = 0.014455 seconds -*** |--> disk read = 0.01173 seconds -*** |--> calc = 0.008731 seconds -*** Disk write bandwidth = 40.6740941377875 MB/s -*** Disk read bandwidth = 49.9539972876039 MB/s -*** Minimum energy = -107.648250973996 +*** Elapsed wall time = 0.054769 seconds +*** |--> S.join = 0.000759 seconds +*** |--> S.solve = 0.008572 seconds +*** |--> S.split = 0.001868 seconds +*** |--> Tensor update = 0.043486 seconds +*** |--> create = 0.022392 seconds +*** |--> destroy = 0.001133 seconds +*** |--> disk write = 0.010372 seconds +*** |--> disk read = 0.006248 seconds +*** |--> calc = 0.003311 seconds +*** Disk write bandwidth = 56.6856952142035 MB/s +*** Disk read bandwidth = 93.7836728846981 MB/s +*** Minimum energy = -107.648250973999 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.79757273347059e-07 +*** Energy difference with respect to previous leftright sweep = 2.6489610149838e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 1685 -*** Minimum energy encountered during all instructions = -107.648250973996 -*** Minimum energy encountered during the last sweep = -107.648250973996 +*** Minimum energy encountered during all instructions = -107.648250973999 +*** Minimum energy encountered during the last sweep = -107.648250973999 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 -Energy at sites (8, 9) is -107.648250973996 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (7, 8) is -107.648250973997 +Energy at sites (8, 9) is -107.648250974 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (7, 8) is -107.648250974001 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250973998 +Energy at sites (6, 7) is -107.648250974002 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250973998 +Energy at sites (5, 6) is -107.648250974002 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974004 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.648250974013 +Energy at sites (4, 5) is -107.648250974007 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974014 +Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.243266 seconds -*** |--> S.join = 0.012293 seconds -*** |--> S.solve = 0.15135 seconds -*** |--> S.split = 0.002527 seconds -*** |--> Tensor update = 0.076971 seconds -*** |--> create = 0.027959 seconds -*** |--> destroy = 0.002339 seconds -*** |--> disk write = 0.014047 seconds -*** |--> disk read = 0.011533 seconds -*** |--> calc = 0.021026 seconds -*** Disk write bandwidth = 41.7142726691531 MB/s -*** Disk read bandwidth = 50.9792795249908 MB/s +*** Elapsed wall time = 0.085658 seconds +*** |--> S.join = 0.000783 seconds +*** |--> S.solve = 0.039668 seconds +*** |--> S.split = 0.001954 seconds +*** |--> Tensor update = 0.043166 seconds +*** |--> create = 0.022439 seconds +*** |--> destroy = 0.001192 seconds +*** |--> disk write = 0.01045 seconds +*** |--> disk read = 0.005991 seconds +*** |--> calc = 0.003066 seconds +*** Disk write bandwidth = 56.0727644194827 MB/s +*** Disk read bandwidth = 98.1378786115371 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974014 +Energy at sites (1, 2) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250974013 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.648250974013 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250974013 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (5, 6) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250974013 +Energy at sites (6, 7) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250974013 +Energy at sites (7, 8) is -107.648250974014 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.160245 seconds -*** |--> S.join = 0.016894 seconds -*** |--> S.solve = 0.067763 seconds -*** |--> S.split = 0.002612 seconds -*** |--> Tensor update = 0.072845 seconds -*** |--> create = 0.027752 seconds -*** |--> destroy = 0.002399 seconds -*** |--> disk write = 0.014401 seconds -*** |--> disk read = 0.011673 seconds -*** |--> calc = 0.016544 seconds -*** Disk write bandwidth = 40.8266113993277 MB/s -*** Disk read bandwidth = 50.1979258274303 MB/s +*** Elapsed wall time = 0.071752 seconds +*** |--> S.join = 0.000801 seconds +*** |--> S.solve = 0.02029 seconds +*** |--> S.split = 0.001858 seconds +*** |--> Tensor update = 0.048718 seconds +*** |--> create = 0.022541 seconds +*** |--> destroy = 0.001176 seconds +*** |--> disk write = 0.010299 seconds +*** |--> disk read = 0.006138 seconds +*** |--> calc = 0.008538 seconds +*** Disk write bandwidth = 57.0874872086337 MB/s +*** Disk read bandwidth = 95.4643838682949 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.72803993336856e-11 +*** Energy difference with respect to previous leftright sweep = 1.42392764246324e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1646,53 +1662,53 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014 - NOON of irrep Ag = [ 1.99999530444255 , 1.99487994122419 , 1.98267954080579 ]. - NOON of irrep B2g = [ 0.0748715524196062 ]. - NOON of irrep B3g = [ 0.0748715524057699 ]. - NOON of irrep B1u = [ 1.99999681839216 , 1.98658242700979 , 0.0188079711657382 ]. - NOON of irrep B2u = [ 1.93365744608336 ]. - NOON of irrep B3u = [ 1.93365744605103 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00013100943236917 , 0.0515866794491558 , 0.0764971072764671 , 0.257716819163646 , 0.257716819146765 , 8.47155302706669e-05 , 0.0462800407178513 , 0.100736303094298 , 0.24150601981243 , 0.24150601986723 ]. - Idistance(0) = 1.30939331365214 - Idistance(1) = 5.42403000201851 - Idistance(2) = 26.7355488476864 + NOON of irrep Ag = [ 1.99999530444286 , 1.99487994129747 , 1.98267954078808 ]. + NOON of irrep B2g = [ 0.0748715524303461 ]. + NOON of irrep B3g = [ 0.0748715523594493 ]. + NOON of irrep B1u = [ 1.99999681839216 , 1.98658242697658 , 0.0188079712602556 ]. + NOON of irrep B2u = [ 1.93365744604256 ]. + NOON of irrep B3u = [ 1.93365744601026 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009431587795 , 0.0515866784087711 , 0.0764971072198083 , 0.257716819211047 , 0.257716819104396 , 8.47155302621388e-05 , 0.0462800408701476 , 0.100736303310496 , 0.241506019933711 , 0.241506019973257 ]. + Idistance(0) = 1.30939331211689 + Idistance(1) = 5.42402999753094 + Idistance(2) = 26.7355488172954 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.477399 seconds -*** |--> MPS gauge change = 0.114825 seconds -*** |--> Diagram calc = 0.04659 seconds -*** |--> Tensor update = 0.31418 seconds -*** |--> create = 0.063969 seconds -*** |--> destroy = 0.005257 seconds -*** |--> disk write = 0.033394 seconds -*** |--> disk read = 0.027751 seconds -*** |--> calc = 0.183471 seconds -*** Disk write bandwidth = 35.6539513612569 MB/s -*** Disk read bandwidth = 42.9039692896765 MB/s +*** Elapsed wall time = 0.11013 seconds +*** |--> MPS gauge change = 0.001055 seconds +*** |--> Diagram calc = 0.006391 seconds +*** |--> Tensor update = 0.101608 seconds +*** |--> create = 0.051346 seconds +*** |--> destroy = 0.002671 seconds +*** |--> disk write = 0.024044 seconds +*** |--> disk read = 0.014803 seconds +*** |--> calc = 0.008611 seconds +*** Disk write bandwidth = 49.5187178405345 MB/s +*** Disk read bandwidth = 80.4315376449242 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 = 0.019753 seconds -FCI::matvec : Wall time = 0.017063 seconds -FCI::matvec : Wall time = 0.026353 seconds -FCI::matvec : Wall time = 0.01824 seconds -FCI::matvec : Wall time = 0.023306 seconds -FCI::matvec : Wall time = 0.015506 seconds -FCI::matvec : Wall time = 0.018319 seconds -FCI::matvec : Wall time = 0.025956 seconds -FCI::matvec : Wall time = 0.026209 seconds -FCI::matvec : Wall time = 0.026696 seconds -FCI::matvec : Wall time = 0.025456 seconds -FCI::matvec : Wall time = 0.023756 seconds -FCI::matvec : Wall time = 0.028698 seconds -FCI::matvec : Wall time = 0.027013 seconds -FCI::matvec : Wall time = 0.028955 seconds -FCI::matvec : Wall time = 0.021316 seconds -FCI::matvec : Wall time = 0.027634 seconds -FCI::matvec : Wall time = 0.026464 seconds +FCI::matvec : Wall time = 0.007993 seconds +FCI::matvec : Wall time = 0.008033 seconds +FCI::matvec : Wall time = 0.008064 seconds +FCI::matvec : Wall time = 0.007985 seconds +FCI::matvec : Wall time = 0.008034 seconds +FCI::matvec : Wall time = 0.008022 seconds +FCI::matvec : Wall time = 0.007968 seconds +FCI::matvec : Wall time = 0.008134 seconds +FCI::matvec : Wall time = 0.008018 seconds +FCI::matvec : Wall time = 0.008005 seconds +FCI::matvec : Wall time = 0.008037 seconds +FCI::matvec : Wall time = 0.008018 seconds +FCI::matvec : Wall time = 0.008028 seconds +FCI::matvec : Wall time = 0.008056 seconds +FCI::matvec : Wall time = 0.008054 seconds +FCI::matvec : Wall time = 0.007981 seconds +FCI::matvec : Wall time = 0.008015 seconds +FCI::matvec : Wall time = 0.007976 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 -FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 7.19084133600287e-19 and intended S(S+1) = 0 +FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 4.85623091513282e-19 and intended S(S+1) = 0 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry @@ -1712,177 +1728,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 14 -Energy at sites (8, 9) is -103.420326807921 - Stats: nIt(DAVIDSON) = 40 -Energy at sites (7, 8) is -106.326952191187 - Stats: nIt(DAVIDSON) = 40 -Energy at sites (6, 7) is -106.399159577995 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (5, 6) is -107.318004776866 - Stats: nIt(DAVIDSON) = 46 -Energy at sites (4, 5) is -107.325638758721 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (3, 4) is -107.328763200614 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -103.049830348291 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (7, 8) is -106.336866369531 + Stats: nIt(DAVIDSON) = 29 +Energy at sites (6, 7) is -106.365607613508 + Stats: nIt(DAVIDSON) = 68 +Energy at sites (5, 6) is -107.317938847701 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (4, 5) is -107.325628344401 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (3, 4) is -107.328763377926 Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.328764961633 +Energy at sites (2, 3) is -107.328764874039 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764961633 +Energy at sites (1, 2) is -107.328764874039 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.880159 seconds -*** |--> S.join = 0.026753 seconds -*** |--> S.solve = 2.640167 seconds -*** |--> S.split = 0.058179 seconds -*** |--> Tensor update = 0.154821 seconds -*** |--> create = 0.031872 seconds -*** |--> destroy = 0.002536 seconds -*** |--> disk write = 0.021112 seconds -*** |--> disk read = 0.011978 seconds -*** |--> calc = 0.087251 seconds -*** Disk write bandwidth = 40.016376687614 MB/s -*** Disk read bandwidth = 70.2289015049727 MB/s -*** Minimum energy = -107.328764961633 +*** Elapsed wall time = 0.306011 seconds +*** |--> S.join = 0.000873 seconds +*** |--> S.solve = 0.254967 seconds +*** |--> S.split = 0.002208 seconds +*** |--> Tensor update = 0.047877 seconds +*** |--> create = 0.025872 seconds +*** |--> destroy = 0.001178 seconds +*** |--> disk write = 0.010466 seconds +*** |--> disk read = 0.00598 seconds +*** |--> calc = 0.004358 seconds +*** Disk write bandwidth = 80.7209769375985 MB/s +*** Disk read bandwidth = 140.669194352268 MB/s +*** Minimum energy = -107.328764874039 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328764961632 +Energy at sites (0, 1) is -107.328764874039 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764961633 +Energy at sites (1, 2) is -107.328764874039 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328764961632 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.328764963952 +Energy at sites (2, 3) is -107.328764874039 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.328764875807 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328767185048 +Energy at sites (4, 5) is -107.328767194352 Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.328768891686 +Energy at sites (5, 6) is -107.328768891163 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891686 +Energy at sites (6, 7) is -107.328768891163 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891686 +Energy at sites (7, 8) is -107.328768891163 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.320578 seconds -*** |--> S.join = 0.007394 seconds -*** |--> S.solve = 0.210242 seconds -*** |--> S.split = 0.003252 seconds -*** |--> Tensor update = 0.099535 seconds -*** |--> create = 0.034045 seconds -*** |--> destroy = 0.002313 seconds -*** |--> disk write = 0.015919 seconds -*** |--> disk read = 0.012448 seconds -*** |--> calc = 0.034734 seconds -*** Disk write bandwidth = 52.842627189306 MB/s -*** Disk read bandwidth = 67.868392081371 MB/s -*** Minimum energy = -107.328768891686 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768891686 +*** Elapsed wall time = 0.076668 seconds +*** |--> S.join = 0.00081 seconds +*** |--> S.solve = 0.024753 seconds +*** |--> S.split = 0.002316 seconds +*** |--> Tensor update = 0.048692 seconds +*** |--> create = 0.025869 seconds +*** |--> destroy = 0.001201 seconds +*** |--> disk write = 0.010726 seconds +*** |--> disk read = 0.006187 seconds +*** |--> calc = 0.004681 seconds +*** Disk write bandwidth = 78.4264201218127 MB/s +*** Disk read bandwidth = 136.548528305949 MB/s +*** Minimum energy = -107.328768891163 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.328768891163 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768891686 +Energy at sites (8, 9) is -107.328768891163 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891686 +Energy at sites (7, 8) is -107.328768891163 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891687 +Energy at sites (6, 7) is -107.328768891163 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768891687 +Energy at sites (5, 6) is -107.328768891163 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768892011 +Energy at sites (4, 5) is -107.328768891504 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.328768897992 +Energy at sites (3, 4) is -107.328768897987 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897992 +Energy at sites (2, 3) is -107.328768897987 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897992 +Energy at sites (1, 2) is -107.328768897987 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.145973 seconds -*** |--> S.join = 0.009181 seconds -*** |--> S.solve = 0.040026 seconds -*** |--> S.split = 0.003067 seconds -*** |--> Tensor update = 0.093561 seconds -*** |--> create = 0.034402 seconds -*** |--> destroy = 0.002333 seconds -*** |--> disk write = 0.015444 seconds -*** |--> disk read = 0.011724 seconds -*** |--> calc = 0.029582 seconds -*** Disk write bandwidth = 54.7025216672433 MB/s -*** Disk read bandwidth = 71.7504079005939 MB/s -*** Minimum energy = -107.328768897992 +*** Elapsed wall time = 0.061555 seconds +*** |--> S.join = 0.000837 seconds +*** |--> S.solve = 0.010448 seconds +*** |--> S.split = 0.002275 seconds +*** |--> Tensor update = 0.047903 seconds +*** |--> create = 0.025515 seconds +*** |--> destroy = 0.001225 seconds +*** |--> disk write = 0.010619 seconds +*** |--> disk read = 0.006076 seconds +*** |--> calc = 0.004444 seconds +*** Disk write bandwidth = 79.5579380948212 MB/s +*** Disk read bandwidth = 138.446639602792 MB/s +*** Minimum energy = -107.328768897987 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897992 +Energy at sites (0, 1) is -107.328768897987 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897992 +Energy at sites (1, 2) is -107.328768897987 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897992 +Energy at sites (2, 3) is -107.328768897987 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897992 +Energy at sites (3, 4) is -107.328768897987 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.328768898019 +Energy at sites (4, 5) is -107.328768898016 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768898019 +Energy at sites (5, 6) is -107.328768898016 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898019 +Energy at sites (6, 7) is -107.328768898016 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768898019 +Energy at sites (7, 8) is -107.328768898016 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.130719 seconds -*** |--> S.join = 0.024364 seconds -*** |--> S.solve = 0.02491 seconds -*** |--> S.split = 0.003174 seconds -*** |--> Tensor update = 0.078132 seconds -*** |--> create = 0.034213 seconds -*** |--> destroy = 0.002293 seconds -*** |--> disk write = 0.015662 seconds -*** |--> disk read = 0.011829 seconds -*** |--> calc = 0.014057 seconds -*** Disk write bandwidth = 53.7097294232258 MB/s -*** Disk read bandwidth = 71.4198786565987 MB/s -*** Minimum energy = -107.328768898019 +*** Elapsed wall time = 0.059386 seconds +*** |--> S.join = 0.000788 seconds +*** |--> S.solve = 0.007929 seconds +*** |--> S.split = 0.002161 seconds +*** |--> Tensor update = 0.048423 seconds +*** |--> create = 0.025795 seconds +*** |--> destroy = 0.00117 seconds +*** |--> disk write = 0.010527 seconds +*** |--> disk read = 0.006195 seconds +*** |--> calc = 0.004707 seconds +*** Disk write bandwidth = 79.9089752281336 MB/s +*** Disk read bandwidth = 136.372194451801 MB/s +*** Minimum energy = -107.328768898016 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.33255581306003e-09 +*** Energy difference with respect to previous leftright sweep = 6.85301415614958e-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 = -107.328768898019 -*** Minimum energy encountered during the last sweep = -107.328768898019 +*** 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 -107.328768898022 + Stats: nIt(DAVIDSON) = 7 +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 +Energy at sites (6, 7) is -107.328768898029 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.328768898031 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -107.328768898031 +Energy at sites (5, 6) is -107.328768898029 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.328768898029 Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -107.328768898031 +Energy at sites (3, 4) is -107.32876889803 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.565136 seconds -*** |--> S.join = 0.021951 seconds -*** |--> S.solve = 0.401218 seconds -*** |--> S.split = 0.035041 seconds -*** |--> Tensor update = 0.106773 seconds -*** |--> create = 0.032928 seconds -*** |--> destroy = 0.00232 seconds -*** |--> disk write = 0.015622 seconds -*** |--> disk read = 0.011848 seconds -*** |--> calc = 0.043977 seconds -*** Disk write bandwidth = 54.0792308685768 MB/s -*** Disk read bandwidth = 70.9994752048078 MB/s +*** Elapsed wall time = 0.126553 seconds +*** |--> S.join = 0.000839 seconds +*** |--> S.solve = 0.075892 seconds +*** |--> S.split = 0.002177 seconds +*** |--> Tensor update = 0.047555 seconds +*** |--> create = 0.025689 seconds +*** |--> destroy = 0.001228 seconds +*** |--> disk write = 0.010274 seconds +*** |--> disk read = 0.006015 seconds +*** |--> calc = 0.004324 seconds +*** Disk write bandwidth = 82.2294865319161 MB/s +*** Disk read bandwidth = 139.850670361856 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -1892,9 +1908,9 @@ Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.328768898033 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.328768898033 @@ -1904,21 +1920,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.962571 seconds -*** |--> S.join = 0.0371 seconds -*** |--> S.solve = 0.519189 seconds -*** |--> S.split = 0.153283 seconds -*** |--> Tensor update = 0.252779 seconds -*** |--> create = 0.034065 seconds -*** |--> destroy = 0.002302 seconds -*** |--> disk write = 0.015709 seconds -*** |--> disk read = 0.011834 seconds -*** |--> calc = 0.188787 seconds -*** Disk write bandwidth = 53.5490344532792 MB/s -*** Disk read bandwidth = 71.389702943122 MB/s +*** Elapsed wall time = 0.08551 seconds +*** |--> S.join = 0.002985 seconds +*** |--> S.solve = 0.031935 seconds +*** |--> S.split = 0.002168 seconds +*** |--> Tensor update = 0.048343 seconds +*** |--> create = 0.025818 seconds +*** |--> destroy = 0.00119 seconds +*** |--> disk write = 0.01043 seconds +*** |--> disk read = 0.006196 seconds +*** |--> calc = 0.004681 seconds +*** Disk write bandwidth = 80.6521363592102 MB/s +*** Disk read bandwidth = 136.350184736751 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.34718902700115e-11 +*** Energy difference with respect to previous leftright sweep = 1.65414348884951e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1933,50 +1949,50 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 - NOON of irrep Ag = [ 1.99999672241052 , 1.99571463015924 , 1.98497373603191 ]. - NOON of irrep B2g = [ 0.538989905092126 ]. - NOON of irrep B3g = [ 0.538989904983891 ]. - NOON of irrep B1u = [ 1.99999702947248 , 1.99149890562585 , 0.0194690668423118 ]. - NOON of irrep B2u = [ 1.46518504974555 ]. - NOON of irrep B3u = [ 1.46518504963613 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862741139909 , 0.0587089373868976 , 0.0554792810398803 , 1.11957630006204 , 1.11957630000453 , 8.52797482124035e-05 , 0.0421718621361767 , 0.105000352907426 , 1.11261995849641 , 1.11261995855566 ]. - Idistance(0) = 4.60188108191109 - Idistance(1) = 17.7825010796004 - Idistance(2) = 85.6947708204625 + NOON of irrep Ag = [ 1.99999672241008 , 1.99571463015338 , 1.98497373604395 ]. + NOON of irrep B2g = [ 0.538989905121088 ]. + NOON of irrep B3g = [ 0.538989904954458 ]. + NOON of irrep B1u = [ 1.9999970294725 , 1.99149890562593 , 0.0194690668362031 ]. + NOON of irrep B2u = [ 1.46518504977512 ]. + NOON of irrep B3u = [ 1.46518504960727 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862743764319 , 0.0587089373827968 , 0.0554792810017127 , 1.11957630007778 , 1.11957629998675 , 8.52797481101604e-05 , 0.0421718621336509 , 0.105000352890636 , 1.11261995847834 , 1.11261995857118 ]. + Idistance(0) = 4.60188108186889 + Idistance(1) = 17.7825010795749 + Idistance(2) = 85.6947708208263 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.311998 seconds -*** |--> MPS gauge change = 0.055393 seconds -*** |--> Diagram calc = 0.024172 seconds -*** |--> Tensor update = 0.231022 seconds -*** |--> create = 0.078754 seconds -*** |--> destroy = 0.005067 seconds -*** |--> disk write = 0.035785 seconds -*** |--> disk read = 0.028305 seconds -*** |--> calc = 0.082696 seconds -*** Disk write bandwidth = 47.867654904617 MB/s -*** Disk read bandwidth = 60.5173655100413 MB/s +*** Elapsed wall time = 0.123758 seconds +*** |--> MPS gauge change = 0.001212 seconds +*** |--> Diagram calc = 0.007833 seconds +*** |--> Tensor update = 0.113636 seconds +*** |--> create = 0.059463 seconds +*** |--> destroy = 0.002774 seconds +*** |--> disk write = 0.024315 seconds +*** |--> disk read = 0.01479 seconds +*** |--> calc = 0.012151 seconds +*** Disk write bandwidth = 70.4480374567847 MB/s +*** Disk read bandwidth = 115.817716751976 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 = 0.063771 seconds -FCI::matvec : Wall time = 0.020302 seconds -FCI::matvec : Wall time = 0.024632 seconds -FCI::matvec : Wall time = 0.020605 seconds -FCI::matvec : Wall time = 0.020601 seconds -FCI::matvec : Wall time = 0.029926 seconds -FCI::matvec : Wall time = 0.020936 seconds -FCI::matvec : Wall time = 0.030336 seconds -FCI::matvec : Wall time = 0.021642 seconds -FCI::matvec : Wall time = 0.485392 seconds -FCI::matvec : Wall time = 0.020418 seconds -FCI::matvec : Wall time = 0.021006 seconds -FCI::matvec : Wall time = 0.02095 seconds -FCI::matvec : Wall time = 0.025979 seconds -FCI::matvec : Wall time = 0.031249 seconds -FCI::matvec : Wall time = 0.02068 seconds -FCI::matvec : Wall time = 0.026555 seconds +FCI::matvec : Wall time = 0.007501 seconds +FCI::matvec : Wall time = 0.00754 seconds +FCI::matvec : Wall time = 0.007525 seconds +FCI::matvec : Wall time = 0.007557 seconds +FCI::matvec : Wall time = 0.007575 seconds +FCI::matvec : Wall time = 0.007615 seconds +FCI::matvec : Wall time = 0.007509 seconds +FCI::matvec : Wall time = 0.007536 seconds +FCI::matvec : Wall time = 0.007563 seconds +FCI::matvec : Wall time = 0.007543 seconds +FCI::matvec : Wall time = 0.007516 seconds +FCI::matvec : Wall time = 0.007672 seconds +FCI::matvec : Wall time = 0.007588 seconds +FCI::matvec : Wall time = 0.007526 seconds +FCI::matvec : Wall time = 0.007581 seconds +FCI::matvec : Wall time = 0.007517 seconds +FCI::matvec : Wall time = 0.007546 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898032 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -1998,177 +2014,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -105.168956477609 Stats: nIt(DAVIDSON) = 13 -Energy at sites (8, 9) is -99.0411465387662 +Energy at sites (7, 8) is -106.983251719972 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (6, 7) is -106.994487486815 Stats: nIt(DAVIDSON) = 18 -Energy at sites (7, 8) is -106.984034019416 - Stats: nIt(DAVIDSON) = 20 -Energy at sites (6, 7) is -106.994648587476 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -106.994976725258 +Energy at sites (5, 6) is -106.99483047286 Stats: nIt(DAVIDSON) = 20 -Energy at sites (4, 5) is -106.996901652171 +Energy at sites (4, 5) is -106.997118553761 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (3, 4) is -106.999231778558 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -106.999415889567 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (2, 3) is -107.007874136103 +Energy at sites (2, 3) is -107.007877329576 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007874136103 +Energy at sites (1, 2) is -107.007877329576 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.776131 seconds -*** |--> S.join = 0.015871 seconds -*** |--> S.solve = 0.539242 seconds -*** |--> S.split = 0.06974 seconds -*** |--> Tensor update = 0.151079 seconds -*** |--> create = 0.026572 seconds -*** |--> destroy = 0.002395 seconds -*** |--> disk write = 0.017507 seconds -*** |--> disk read = 0.011196 seconds -*** |--> calc = 0.093332 seconds -*** Disk write bandwidth = 11.1549444117442 MB/s -*** Disk read bandwidth = 17.3460376735413 MB/s -*** Minimum energy = -107.007874136103 +*** Elapsed wall time = 0.100962 seconds +*** |--> S.join = 0.000747 seconds +*** |--> S.solve = 0.058865 seconds +*** |--> S.split = 0.00137 seconds +*** |--> Tensor update = 0.039887 seconds +*** |--> create = 0.020906 seconds +*** |--> destroy = 0.001139 seconds +*** |--> disk write = 0.009483 seconds +*** |--> disk read = 0.006122 seconds +*** |--> calc = 0.00221 seconds +*** Disk write bandwidth = 20.5936530440163 MB/s +*** Disk read bandwidth = 31.7226785026084 MB/s +*** Minimum energy = -107.007877329576 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007874136103 +Energy at sites (0, 1) is -107.007877329576 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007874136103 +Energy at sites (1, 2) is -107.007877329576 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007874136103 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007874574626 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -107.007877351095 +Energy at sites (2, 3) is -107.007877329576 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -107.007877835006 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.007879928297 Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -107.007920327107 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (6, 7) is -107.007920335256 +Energy at sites (5, 6) is -107.007920321393 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (6, 7) is -107.007920325138 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920335256 +Energy at sites (7, 8) is -107.007920325139 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.263897 seconds -*** |--> S.join = 0.017477 seconds -*** |--> S.solve = 0.135998 seconds -*** |--> S.split = 0.033765 seconds -*** |--> Tensor update = 0.076367 seconds -*** |--> create = 0.025885 seconds -*** |--> destroy = 0.002448 seconds -*** |--> disk write = 0.013306 seconds -*** |--> disk read = 0.010842 seconds -*** |--> calc = 0.023806 seconds -*** Disk write bandwidth = 14.595388380653 MB/s -*** Disk read bandwidth = 18.0123235396058 MB/s -*** Minimum energy = -107.007920335256 +*** Elapsed wall time = 0.063219 seconds +*** |--> S.join = 0.000654 seconds +*** |--> S.solve = 0.020916 seconds +*** |--> S.split = 0.001336 seconds +*** |--> Tensor update = 0.04023 seconds +*** |--> create = 0.021238 seconds +*** |--> destroy = 0.00113 seconds +*** |--> disk write = 0.009502 seconds +*** |--> disk read = 0.006119 seconds +*** |--> calc = 0.002214 seconds +*** Disk write bandwidth = 20.4384590394621 MB/s +*** Disk read bandwidth = 31.9152822056555 MB/s +*** Minimum energy = -107.007920325139 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920335256 +*** Energy difference with respect to previous leftright sweep = 107.007920325139 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920335256 +Energy at sites (8, 9) is -107.007920325139 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920335256 +Energy at sites (7, 8) is -107.007920325139 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920335256 +Energy at sites (6, 7) is -107.007920325138 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.007920335377 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920353511 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007920405051 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.007920596634 +Energy at sites (5, 6) is -107.007920325199 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -107.007920343275 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.007920395174 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -107.007920596561 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596634 +Energy at sites (1, 2) is -107.007920596561 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.105854 seconds -*** |--> S.join = 0.018932 seconds -*** |--> S.solve = 0.022726 seconds -*** |--> S.split = 0.001983 seconds -*** |--> Tensor update = 0.062079 seconds -*** |--> create = 0.025055 seconds -*** |--> destroy = 0.002601 seconds -*** |--> disk write = 0.012792 seconds -*** |--> disk read = 0.01086 seconds -*** |--> calc = 0.010702 seconds -*** Disk write bandwidth = 15.2665425122269 MB/s -*** Disk read bandwidth = 17.882710662336 MB/s -*** Minimum energy = -107.007920596634 +*** Elapsed wall time = 0.051321 seconds +*** |--> S.join = 0.000733 seconds +*** |--> S.solve = 0.009112 seconds +*** |--> S.split = 0.001316 seconds +*** |--> Tensor update = 0.040076 seconds +*** |--> create = 0.020846 seconds +*** |--> destroy = 0.001181 seconds +*** |--> disk write = 0.009701 seconds +*** |--> disk read = 0.006187 seconds +*** |--> calc = 0.002133 seconds +*** Disk write bandwidth = 20.130874323926 MB/s +*** Disk read bandwidth = 31.389403231448 MB/s +*** Minimum energy = -107.007920596561 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596634 +Energy at sites (0, 1) is -107.007920596561 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596634 +Energy at sites (1, 2) is -107.007920596561 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596634 +Energy at sites (2, 3) is -107.007920596561 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.007920596753 +Energy at sites (3, 4) is -107.007920596673 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920596786 +Energy at sites (4, 5) is -107.007920596711 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.007920599383 +Energy at sites (5, 6) is -107.007920599391 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920599383 +Energy at sites (6, 7) is -107.007920599391 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920599383 +Energy at sites (7, 8) is -107.007920599391 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.42558 seconds -*** |--> S.join = 0.03357 seconds -*** |--> S.solve = 0.157915 seconds -*** |--> S.split = 0.06333 seconds -*** |--> Tensor update = 0.1706 seconds -*** |--> create = 0.025465 seconds -*** |--> destroy = 0.002447 seconds -*** |--> disk write = 0.014158 seconds -*** |--> disk read = 0.014041 seconds -*** |--> calc = 0.114408 seconds -*** Disk write bandwidth = 13.7170672265128 MB/s -*** Disk read bandwidth = 13.9085258753939 MB/s -*** Minimum energy = -107.007920599383 +*** Elapsed wall time = 0.048975 seconds +*** |--> S.join = 0.000672 seconds +*** |--> S.solve = 0.006625 seconds +*** |--> S.split = 0.001438 seconds +*** |--> Tensor update = 0.040142 seconds +*** |--> create = 0.021005 seconds +*** |--> destroy = 0.001129 seconds +*** |--> disk write = 0.009559 seconds +*** |--> disk read = 0.006178 seconds +*** |--> calc = 0.002242 seconds +*** Disk write bandwidth = 20.3165851859995 MB/s +*** Disk read bandwidth = 31.6104907439958 MB/s +*** Minimum energy = -107.007920599391 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.64127578475382e-07 +*** Energy difference with respect to previous leftright sweep = 2.74252840881672e-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 = -107.007920599383 -*** Minimum energy encountered during the last sweep = -107.007920599383 +*** Minimum energy encountered during all instructions = -107.007920599391 +*** Minimum energy encountered during the last sweep = -107.007920599391 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.007920599388 +Energy at sites (8, 9) is -107.007920599392 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599391 +Energy at sites (7, 8) is -107.007920599395 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.007920599396 +Energy at sites (6, 7) is -107.007920599399 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.007920599396 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.007920599397 +Energy at sites (5, 6) is -107.0079205994 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.0079205994 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599398 +Energy at sites (3, 4) is -107.0079205994 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 2.037625 seconds -*** |--> S.join = 0.055919 seconds -*** |--> S.solve = 1.537714 seconds -*** |--> S.split = 0.164636 seconds -*** |--> Tensor update = 0.279092 seconds -*** |--> create = 0.027212 seconds -*** |--> destroy = 0.002335 seconds -*** |--> disk write = 0.014628 seconds -*** |--> disk read = 0.011944 seconds -*** |--> calc = 0.222893 seconds -*** Disk write bandwidth = 13.350397307657 MB/s -*** Disk read bandwidth = 16.2597318982727 MB/s +*** Elapsed wall time = 0.083325 seconds +*** |--> S.join = 0.000747 seconds +*** |--> S.solve = 0.041172 seconds +*** |--> S.split = 0.001361 seconds +*** |--> Tensor update = 0.039956 seconds +*** |--> create = 0.020882 seconds +*** |--> destroy = 0.001148 seconds +*** |--> disk write = 0.009514 seconds +*** |--> disk read = 0.00617 seconds +*** |--> calc = 0.002205 seconds +*** Disk write bandwidth = 20.5265515888592 MB/s +*** Disk read bandwidth = 31.4758894315995 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2180,31 +2196,31 @@ Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 7 Energy at sites (6, 7) is -107.007920599439 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.694964 seconds -*** |--> S.join = 0.024795 seconds -*** |--> S.solve = 0.469101 seconds -*** |--> S.split = 0.048967 seconds -*** |--> Tensor update = 0.151917 seconds -*** |--> create = 0.031507 seconds -*** |--> destroy = 0.002362 seconds -*** |--> disk write = 0.017979 seconds -*** |--> disk read = 0.013477 seconds -*** |--> calc = 0.086511 seconds -*** Disk write bandwidth = 10.8018375767823 MB/s -*** Disk read bandwidth = 14.4905848346373 MB/s +*** Elapsed wall time = 0.069951 seconds +*** |--> S.join = 0.000661 seconds +*** |--> S.solve = 0.027757 seconds +*** |--> S.split = 0.00132 seconds +*** |--> Tensor update = 0.04013 seconds +*** |--> create = 0.021024 seconds +*** |--> destroy = 0.001126 seconds +*** |--> disk write = 0.009526 seconds +*** |--> disk read = 0.006166 seconds +*** |--> calc = 0.002264 seconds +*** Disk write bandwidth = 20.3869659660895 MB/s +*** Disk read bandwidth = 31.6720097010065 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.52802248421358e-11 +*** Energy difference with respect to previous leftright sweep = 4.73505679110531e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2219,45 +2235,45 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 - NOON of irrep Ag = [ 1.99999761728414 , 1.9981745872014 , 1.9909952963687 ]. - NOON of irrep B2g = [ 0.999157310928891 ]. - NOON of irrep B3g = [ 0.999157311016751 ]. - NOON of irrep B1u = [ 1.99999763398163 , 1.99356772578235 , 0.0151843202006289 ]. - NOON of irrep B2u = [ 1.00188409856336 ]. - NOON of irrep B3u = [ 1.00188409867215 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85625024349931e-05 , 0.0439795133293427 , 0.0191227034826779 , 0.710073263581675 , 0.710073262881829 , 0.000114194275447266 , 0.0501988275568488 , 0.0847680563526811 , 0.709393186085283 , 0.709393186752085 ]. - Idistance(0) = 1.96740723912746 - Idistance(1) = 7.24682976543607 - Idistance(2) = 34.6048709995623 + NOON of irrep Ag = [ 1.9999976172854 , 1.99817458708294 , 1.99099529635057 ]. + NOON of irrep B2g = [ 0.99915731095944 ]. + NOON of irrep B3g = [ 0.999157310995496 ]. + NOON of irrep B1u = [ 1.99999763398155 , 1.99356772577637 , 0.0151843203352151 ]. + NOON of irrep B2u = [ 1.00188409859615 ]. + NOON of irrep B3u = [ 1.00188409863687 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624957574743e-05 , 0.0439795126408556 , 0.0191227047042278 , 0.710073263339134 , 0.7100732630876 , 0.000114194275544695 , 0.0501988277579448 , 0.084768056886746 , 0.709393186278752 , 0.709393186518456 ]. + Idistance(0) = 1.96740724005862 + Idistance(1) = 7.24682976585914 + Idistance(2) = 34.6048709876778 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.186096 seconds -*** |--> MPS gauge change = 0.01796 seconds -*** |--> Diagram calc = 0.01586 seconds -*** |--> Tensor update = 0.150495 seconds -*** |--> create = 0.064115 seconds -*** |--> destroy = 0.00499099999999999 seconds -*** |--> disk write = 0.034137 seconds -*** |--> disk read = 0.028841 seconds -*** |--> calc = 0.018049 seconds -*** Disk write bandwidth = 11.9870690360487 MB/s -*** Disk read bandwidth = 14.1882242530978 MB/s +*** Elapsed wall time = 0.103138 seconds +*** |--> MPS gauge change = 0.001145 seconds +*** |--> Diagram calc = 0.005407 seconds +*** |--> Tensor update = 0.095529 seconds +*** |--> create = 0.048936 seconds +*** |--> destroy = 0.002649 seconds +*** |--> disk write = 0.022443 seconds +*** |--> disk read = 0.014931 seconds +*** |--> calc = 0.006447 seconds +*** Disk write bandwidth = 18.2329713355431 MB/s +*** Disk read bandwidth = 27.4062404181631 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 = 0.017759 seconds -FCI::matvec : Wall time = 0.016081 seconds -FCI::matvec : Wall time = 0.017817 seconds -FCI::matvec : Wall time = 0.014758 seconds -FCI::matvec : Wall time = 0.016784 seconds -FCI::matvec : Wall time = 0.016139 seconds -FCI::matvec : Wall time = 0.017406 seconds -FCI::matvec : Wall time = 0.01877 seconds -FCI::matvec : Wall time = 0.016801 seconds -FCI::matvec : Wall time = 0.018152 seconds -FCI::matvec : Wall time = 0.016719 seconds -FCI::matvec : Wall time = 0.018336 seconds +FCI::matvec : Wall time = 0.005217 seconds +FCI::matvec : Wall time = 0.005206 seconds +FCI::matvec : Wall time = 0.00523 seconds +FCI::matvec : Wall time = 0.005273 seconds +FCI::matvec : Wall time = 0.005162 seconds +FCI::matvec : Wall time = 0.005281 seconds +FCI::matvec : Wall time = 0.005229 seconds +FCI::matvec : Wall time = 0.005188 seconds +FCI::matvec : Wall time = 0.005201 seconds +FCI::matvec : Wall time = 0.005256 seconds +FCI::matvec : Wall time = 0.00517 seconds +FCI::matvec : Wall time = 0.005213 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 @@ -2279,258 +2295,258 @@ 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) = 14 -Energy at sites (8, 9) is -104.065803557248 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (7, 8) is -105.791697164474 - Stats: nIt(DAVIDSON) = 60 -Energy at sites (6, 7) is -105.903275880965 - Stats: nIt(DAVIDSON) = 52 -Energy at sites (5, 6) is -105.90837673176 - Stats: nIt(DAVIDSON) = 37 -Energy at sites (4, 5) is -106.144620485681 - Stats: nIt(DAVIDSON) = 36 -Energy at sites (3, 4) is -106.162430817105 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (8, 9) is -102.584310246014 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (7, 8) is -105.793641205982 + Stats: nIt(DAVIDSON) = 51 +Energy at sites (6, 7) is -105.904292845974 + Stats: nIt(DAVIDSON) = 44 +Energy at sites (5, 6) is -105.906045190586 + Stats: nIt(DAVIDSON) = 46 +Energy at sites (4, 5) is -106.13012838278 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (3, 4) is -106.182340829628 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.162430831111 +Energy at sites (2, 3) is -106.182341038802 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.162430831111 +Energy at sites (1, 2) is -106.182341038802 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.797193 seconds -*** |--> S.join = 0.008591 seconds -*** |--> S.solve = 1.688126 seconds -*** |--> S.split = 0.018018 seconds -*** |--> Tensor update = 0.082269 seconds -*** |--> create = 0.031294 seconds -*** |--> destroy = 0.002434 seconds -*** |--> disk write = 0.013985 seconds -*** |--> disk read = 0.011547 seconds -*** |--> calc = 0.022936 seconds -*** Disk write bandwidth = 14.4339306762826 MB/s -*** Disk read bandwidth = 17.3876458373928 MB/s -*** Minimum energy = -106.162430831111 +*** Elapsed wall time = 0.17469 seconds +*** |--> S.join = 0.000752 seconds +*** |--> S.solve = 0.13247 seconds +*** |--> S.split = 0.001379 seconds +*** |--> Tensor update = 0.040003 seconds +*** |--> create = 0.021047 seconds +*** |--> destroy = 0.001127 seconds +*** |--> disk write = 0.009533 seconds +*** |--> disk read = 0.00608 seconds +*** |--> calc = 0.002194 seconds +*** Disk write bandwidth = 21.1747110571502 MB/s +*** Disk read bandwidth = 33.0222280401933 MB/s +*** Minimum energy = -106.182341038802 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.162430831111 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.162430831111 +Energy at sites (0, 1) is -106.182341038802 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.162430831111 +Energy at sites (1, 2) is -106.182341038802 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.162430831111 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -106.162712963323 +Energy at sites (2, 3) is -106.182341038802 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (3, 4) is -106.182341038816 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.182622757497 Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -106.191137063607 +Energy at sites (5, 6) is -106.191438039388 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191137063751 +Energy at sites (6, 7) is -106.191438040428 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191137063751 +Energy at sites (7, 8) is -106.191438040428 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.156864 seconds -*** |--> S.join = 0.017505 seconds -*** |--> S.solve = 0.071489 seconds -*** |--> S.split = 0.001819 seconds -*** |--> Tensor update = 0.06592 seconds -*** |--> create = 0.025861 seconds -*** |--> destroy = 0.002522 seconds -*** |--> disk write = 0.014172 seconds -*** |--> disk read = 0.011773 seconds -*** |--> calc = 0.01152 seconds -*** Disk write bandwidth = 14.1670298112034 MB/s -*** Disk read bandwidth = 17.1458863932567 MB/s -*** Minimum energy = -106.191137063751 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.191137063751 +*** Elapsed wall time = 0.061651 seconds +*** |--> S.join = 0.000662 seconds +*** |--> S.solve = 0.019052 seconds +*** |--> S.split = 0.001346 seconds +*** |--> Tensor update = 0.040506 seconds +*** |--> create = 0.021267 seconds +*** |--> destroy = 0.001154 seconds +*** |--> disk write = 0.00975 seconds +*** |--> disk read = 0.006068 seconds +*** |--> calc = 0.002242 seconds +*** Disk write bandwidth = 20.5923227163462 MB/s +*** Disk read bandwidth = 33.2660712768313 MB/s +*** Minimum energy = -106.191438040428 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191438040428 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191137063751 +Energy at sites (8, 9) is -106.191438040428 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191137063751 +Energy at sites (7, 8) is -106.191438040428 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191137063751 +Energy at sites (6, 7) is -106.191438040428 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.191137063751 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191245749521 +Energy at sites (5, 6) is -106.191438040428 Stats: nIt(DAVIDSON) = 10 -Energy at sites (3, 4) is -106.191461206732 +Energy at sites (4, 5) is -106.191455723045 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (3, 4) is -106.19146565699 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -106.191461210841 +Energy at sites (2, 3) is -106.191465658754 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191461210841 +Energy at sites (1, 2) is -106.191465658754 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.135268 seconds -*** |--> S.join = 0.018926 seconds -*** |--> S.solve = 0.038735 seconds -*** |--> S.split = 0.001919 seconds -*** |--> Tensor update = 0.075543 seconds -*** |--> create = 0.026461 seconds -*** |--> destroy = 0.00227 seconds -*** |--> disk write = 0.014171 seconds -*** |--> disk read = 0.011429 seconds -*** |--> calc = 0.021138 seconds -*** Disk write bandwidth = 14.2444796067894 MB/s -*** Disk read bandwidth = 17.5671665486372 MB/s -*** Minimum energy = -106.191461210841 +*** Elapsed wall time = 0.054813 seconds +*** |--> S.join = 0.000735 seconds +*** |--> S.solve = 0.012337 seconds +*** |--> S.split = 0.001345 seconds +*** |--> Tensor update = 0.040311 seconds +*** |--> create = 0.021305 seconds +*** |--> destroy = 0.001116 seconds +*** |--> disk write = 0.009602 seconds +*** |--> disk read = 0.006113 seconds +*** |--> calc = 0.002145 seconds +*** Disk write bandwidth = 21.0225495217468 MB/s +*** Disk read bandwidth = 32.8439631088459 MB/s +*** Minimum energy = -106.191465658754 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191461210841 +Energy at sites (0, 1) is -106.191465658754 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191461210841 +Energy at sites (1, 2) is -106.191465658754 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191461210841 +Energy at sites (2, 3) is -106.191465658754 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191461210841 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -106.191461491433 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -106.19146639142 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191466391451 +Energy at sites (3, 4) is -106.191465658754 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -106.19146566607 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -106.191466510827 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19146639145 +Energy at sites (6, 7) is -106.191466510827 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (7, 8) is -106.191466510827 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.437433 seconds -*** |--> S.join = 0.035709 seconds -*** |--> S.solve = 0.215163 seconds -*** |--> S.split = 0.049425 seconds -*** |--> Tensor update = 0.136979 seconds -*** |--> create = 0.026378 seconds -*** |--> destroy = 0.002329 seconds -*** |--> disk write = 0.0139 seconds -*** |--> disk read = 0.011683 seconds -*** |--> calc = 0.082619 seconds -*** Disk write bandwidth = 14.4442551427608 MB/s -*** Disk read bandwidth = 17.2779697430294 MB/s -*** Minimum energy = -106.191466391451 +*** Elapsed wall time = 0.052782 seconds +*** |--> S.join = 0.000671 seconds +*** |--> S.solve = 0.010128 seconds +*** |--> S.split = 0.001325 seconds +*** |--> Tensor update = 0.040579 seconds +*** |--> create = 0.021227 seconds +*** |--> destroy = 0.001109 seconds +*** |--> disk write = 0.00984 seconds +*** |--> disk read = 0.006056 seconds +*** |--> calc = 0.00232 seconds +*** Disk write bandwidth = 20.4039783012576 MB/s +*** Disk read bandwidth = 33.3319881948171 MB/s +*** Minimum energy = -106.191466510827 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 0.000329327699830628 +*** Energy difference with respect to previous leftright sweep = 2.84703990871549e-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 = -106.191466391451 -*** Minimum energy encountered during the last sweep = -106.191466391451 +*** Minimum energy encountered during all instructions = -106.191466510827 +*** Minimum energy encountered during the last sweep = -106.191466510827 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -106.191466391451 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -106.191466391451 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -106.191466391452 +Energy at sites (8, 9) is -106.191466510856 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (7, 8) is -106.191466510916 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (6, 7) is -106.191466510919 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.191466391454 +Energy at sites (5, 6) is -106.191466510925 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (4, 5) is -106.191466567086 Stats: nIt(DAVIDSON) = 18 -Energy at sites (4, 5) is -106.191466455418 - Stats: nIt(DAVIDSON) = 20 -Energy at sites (3, 4) is -106.191466565731 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -106.19146656574 +Energy at sites (3, 4) is -106.19146657111 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -106.19146657111 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146656574 +Energy at sites (1, 2) is -106.19146657111 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.238017 seconds -*** |--> S.join = 0.014774 seconds -*** |--> S.solve = 0.143857 seconds -*** |--> S.split = 0.001959 seconds -*** |--> Tensor update = 0.077279 seconds -*** |--> create = 0.026387 seconds -*** |--> destroy = 0.002416 seconds -*** |--> disk write = 0.014068 seconds -*** |--> disk read = 0.011361 seconds -*** |--> calc = 0.022971 seconds -*** Disk write bandwidth = 14.3487717165064 MB/s -*** Disk read bandwidth = 17.6723128672102 MB/s -*** Minimum energy = -106.19146656574 +*** Elapsed wall time = 0.08419 seconds +*** |--> S.join = 0.000748 seconds +*** |--> S.solve = 0.041822 seconds +*** |--> S.split = 0.00136 seconds +*** |--> Tensor update = 0.040173 seconds +*** |--> create = 0.021055 seconds +*** |--> destroy = 0.001127 seconds +*** |--> disk write = 0.009522 seconds +*** |--> disk read = 0.006218 seconds +*** |--> calc = 0.002226 seconds +*** Disk write bandwidth = 21.1991724960946 MB/s +*** Disk read bandwidth = 32.2893448833025 MB/s +*** Minimum energy = -106.19146657111 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.19146656574 +Energy at sites (0, 1) is -106.19146657111 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146656574 +Energy at sites (1, 2) is -106.19146657111 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.19146656574 +Energy at sites (2, 3) is -106.19146657111 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -106.19146656574 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (4, 5) is -106.191466565786 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -106.191466575349 +Energy at sites (3, 4) is -106.19146657111 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.191466571111 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -106.191466575588 Stats: nIt(DAVIDSON) = 4 -Energy at sites (6, 7) is -106.191466575349 +Energy at sites (6, 7) is -106.191466575588 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575349 +Energy at sites (7, 8) is -106.191466575588 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.185437 seconds -*** |--> S.join = 0.022972 seconds -*** |--> S.solve = 0.094768 seconds -*** |--> S.split = 0.00671300000000005 seconds -*** |--> Tensor update = 0.060842 seconds -*** |--> create = 0.026313 seconds -*** |--> destroy = 0.002419 seconds -*** |--> disk write = 0.014171 seconds -*** |--> disk read = 0.011369 seconds -*** |--> calc = 0.006497 seconds -*** Disk write bandwidth = 14.1680295310405 MB/s -*** Disk read bandwidth = 17.7551693647473 MB/s -*** Minimum energy = -106.191466575349 +*** Elapsed wall time = 0.068647 seconds +*** |--> S.join = 0.000659 seconds +*** |--> S.solve = 0.02637 seconds +*** |--> S.split = 0.001353 seconds +*** |--> Tensor update = 0.040182 seconds +*** |--> create = 0.021302 seconds +*** |--> destroy = 0.00111 seconds +*** |--> disk write = 0.009502 seconds +*** |--> disk read = 0.005991 seconds +*** |--> calc = 0.002252 seconds +*** Disk write bandwidth = 21.1297775714981 MB/s +*** Disk read bandwidth = 33.6936271920902 MB/s +*** Minimum energy = -106.191466575588 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.83898862360365e-07 +*** Energy difference with respect to previous leftright sweep = 6.47606839265791e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575349 +Energy at sites (8, 9) is -106.191466575588 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575349 +Energy at sites (7, 8) is -106.191466575588 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575349 +Energy at sites (6, 7) is -106.191466575588 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -106.191466575349 +Energy at sites (5, 6) is -106.191466575588 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (4, 5) is -106.191466575902 Stats: nIt(DAVIDSON) = 14 -Energy at sites (4, 5) is -106.191466575597 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (3, 4) is -106.191466575914 +Energy at sites (3, 4) is -106.191466575923 Stats: nIt(DAVIDSON) = 5 -Energy at sites (2, 3) is -106.191466575914 +Energy at sites (2, 3) is -106.191466575923 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575914 +Energy at sites (1, 2) is -106.191466575923 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.150262 seconds -*** |--> S.join = 0.011874 seconds -*** |--> S.solve = 0.071541 seconds -*** |--> S.split = 0.002008 seconds -*** |--> Tensor update = 0.064638 seconds -*** |--> create = 0.02616 seconds -*** |--> destroy = 0.002487 seconds -*** |--> disk write = 0.013867 seconds -*** |--> disk read = 0.011487 seconds -*** |--> calc = 0.010562 seconds -*** Disk write bandwidth = 14.5567549223201 MB/s -*** Disk read bandwidth = 17.4784666566009 MB/s -*** Minimum energy = -106.191466575914 +*** Elapsed wall time = 0.061585 seconds +*** |--> S.join = 0.000737 seconds +*** |--> S.solve = 0.019411 seconds +*** |--> S.split = 0.001397 seconds +*** |--> Tensor update = 0.039949 seconds +*** |--> create = 0.021098 seconds +*** |--> destroy = 0.00113 seconds +*** |--> disk write = 0.009458 seconds +*** |--> disk read = 0.006078 seconds +*** |--> calc = 0.002155 seconds +*** Disk write bandwidth = 21.3426221725325 MB/s +*** Disk read bandwidth = 33.0330941895977 MB/s +*** Minimum energy = -106.191466575923 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575915 +Energy at sites (0, 1) is -106.191466575923 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575914 +Energy at sites (1, 2) is -106.191466575923 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575914 +Energy at sites (2, 3) is -106.191466575923 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575914 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -106.191466575915 - Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -106.191466575923 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -106.191466575923 + Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -106.191466575948 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.191466575948 @@ -2538,21 +2554,21 @@ Energy at sites (7, 8) is -106.191466575948 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.578207 seconds -*** |--> S.join = 0.016245 seconds -*** |--> S.solve = 0.387714 seconds -*** |--> S.split = 0.025663 seconds -*** |--> Tensor update = 0.148412 seconds -*** |--> create = 0.027148 seconds -*** |--> destroy = 0.002352 seconds -*** |--> disk write = 0.015127 seconds -*** |--> disk read = 0.012853 seconds -*** |--> calc = 0.090853 seconds -*** Disk write bandwidth = 13.2726347910607 MB/s -*** Disk read bandwidth = 15.7051677046458 MB/s +*** Elapsed wall time = 0.063019 seconds +*** |--> S.join = 0.000671 seconds +*** |--> S.solve = 0.020759 seconds +*** |--> S.split = 0.001329 seconds +*** |--> Tensor update = 0.04018 seconds +*** |--> create = 0.021164 seconds +*** |--> destroy = 0.001161 seconds +*** |--> disk write = 0.009514 seconds +*** |--> disk read = 0.006061 seconds +*** |--> calc = 0.002252 seconds +*** Disk write bandwidth = 21.1031266012587 MB/s +*** Disk read bandwidth = 33.3044910918681 MB/s *** Minimum energy = -106.191466575948 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.9867488744203e-10 +*** Energy difference with respect to previous leftright sweep = 3.60557805834105e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575948 @@ -2562,9 +2578,9 @@ Energy at sites (6, 7) is -106.191466575948 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575948 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -106.191466575949 Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -106.19146657595 + Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 @@ -2572,18 +2588,18 @@ Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 0.487149 seconds -*** |--> S.join = 0.044391 seconds -*** |--> S.solve = 0.212357 seconds -*** |--> S.split = 0.065287 seconds -*** |--> Tensor update = 0.164882 seconds -*** |--> create = 0.028383 seconds -*** |--> destroy = 0.002355 seconds -*** |--> disk write = 0.014111 seconds -*** |--> disk read = 0.011925 seconds -*** |--> calc = 0.10803 seconds -*** Disk write bandwidth = 14.3050471623423 MB/s -*** Disk read bandwidth = 16.8364902712264 MB/s +*** Elapsed wall time = 0.058004 seconds +*** |--> S.join = 0.000718 seconds +*** |--> S.solve = 0.015992 seconds +*** |--> S.split = 0.001381 seconds +*** |--> Tensor update = 0.039827 seconds +*** |--> create = 0.020931 seconds +*** |--> destroy = 0.001191 seconds +*** |--> disk write = 0.009428 seconds +*** |--> disk read = 0.006103 seconds +*** |--> calc = 0.002147 seconds +*** Disk write bandwidth = 21.4105346317154 MB/s +*** Disk read bandwidth = 32.8977792043872 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** @@ -2595,31 +2611,31 @@ Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 - Stats: nIt(DAVIDSON) = 3 + Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 0.163536 seconds -*** |--> S.join = 0.017848 seconds -*** |--> S.solve = 0.081186 seconds -*** |--> S.split = 0.001938 seconds -*** |--> Tensor update = 0.062403 seconds -*** |--> create = 0.026742 seconds -*** |--> destroy = 0.00227 seconds -*** |--> disk write = 0.014422 seconds -*** |--> disk read = 0.011248 seconds -*** |--> calc = 0.007646 seconds -*** Disk write bandwidth = 13.9214496244886 MB/s -*** Disk read bandwidth = 17.9461700309222 MB/s +*** Elapsed wall time = 0.057805 seconds +*** |--> S.join = 0.000663 seconds +*** |--> S.solve = 0.015584 seconds +*** |--> S.split = 0.001352 seconds +*** |--> Tensor update = 0.04012 seconds +*** |--> create = 0.021229 seconds +*** |--> destroy = 0.00114 seconds +*** |--> disk write = 0.009542 seconds +*** |--> disk read = 0.005968 seconds +*** |--> calc = 0.00222 seconds +*** Disk write bandwidth = 21.0412016856398 MB/s +*** Disk read bandwidth = 33.823478637368 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.1032064978499e-12 +*** Energy difference with respect to previous leftright sweep = 1.98951966012828e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2634,51 +2650,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.99999399659801 , 1.99366325771202 , 1.87190049665843 ]. - NOON of irrep B2g = [ 0.584814288687599 ]. - NOON of irrep B3g = [ 0.584814270762161 ]. - NOON of irrep B1u = [ 1.99999783389171 , 1.1209642899964 , 1.00219410886421 ]. - NOON of irrep B2u = [ 1.42082874517229 ]. - NOON of irrep B3u = [ 1.42082871165716 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128078829587e-05 , 0.0722109493332609 , 0.460791893467533 , 1.13075778440134 , 1.13075779600004 , 6.17502965033525e-05 , 0.977139012529125 , 0.735936474170178 , 1.12042722545123 , 1.12042724179309 ]. - Idistance(0) = 5.65234388733436 - Idistance(1) = 19.8382956390365 - Idistance(2) = 88.8195406050856 + NOON of irrep Ag = [ 1.99999399659732 , 1.99366325683311 , 1.87190049300214 ]. + NOON of irrep B2g = [ 0.584814308508669 ]. + NOON of irrep B3g = [ 0.584814254843441 ]. + NOON of irrep B1u = [ 1.99999783389176 , 1.12096429117631 , 1.00219410781973 ]. + NOON of irrep B2u = [ 1.42082876031279 ]. + NOON of irrep B3u = [ 1.42082869701472 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128165190631e-05 , 0.0722109523036614 , 0.460791904895531 , 1.13075780039889 , 1.13075778668994 , 6.17502957810542e-05 , 0.977139014024006 , 0.735936479579643 , 1.12042721727586 , 1.12042724879249 ]. + Idistance(0) = 5.65234391760065 + Idistance(1) = 19.838295796905 + Idistance(2) = 88.819541775394 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.680055 seconds -*** |--> MPS gauge change = 0.183886 seconds -*** |--> Diagram calc = 0.064342 seconds -*** |--> Tensor update = 0.430327 seconds -*** |--> create = 0.067954 seconds -*** |--> destroy = 0.004783 seconds -*** |--> disk write = 0.032871 seconds -*** |--> disk read = 0.027111 seconds -*** |--> calc = 0.297261 seconds -*** Disk write bandwidth = 12.8484193686352 MB/s -*** Disk read bandwidth = 15.5781930975031 MB/s +*** Elapsed wall time = 0.102218 seconds +*** |--> MPS gauge change = 0.001221 seconds +*** |--> Diagram calc = 0.005342 seconds +*** |--> Tensor update = 0.094597 seconds +*** |--> create = 0.048984 seconds +*** |--> destroy = 0.002653 seconds +*** |--> disk write = 0.022167 seconds +*** |--> disk read = 0.014475 seconds +*** |--> calc = 0.006199 seconds +*** Disk write bandwidth = 19.0526635569272 MB/s +*** Disk read bandwidth = 29.1772292273856 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 = 0.012953 seconds -FCI::matvec : Wall time = 0.020693 seconds -FCI::matvec : Wall time = 0.009093 seconds -FCI::matvec : Wall time = 0.011337 seconds -FCI::matvec : Wall time = 0.00918 seconds -FCI::matvec : Wall time = 0.022533 seconds -FCI::matvec : Wall time = 0.01289 seconds -FCI::matvec : Wall time = 0.018839 seconds -FCI::matvec : Wall time = 0.009006 seconds -FCI::matvec : Wall time = 0.010564 seconds -FCI::matvec : Wall time = 0.008838 seconds -FCI::matvec : Wall time = 0.012771 seconds -FCI::matvec : Wall time = 0.017325 seconds -FCI::matvec : Wall time = 0.013057 seconds -FCI::matvec : Wall time = 0.017363 seconds -FCI::matvec : Wall time = 0.021417 seconds -FCI::matvec : Wall time = 0.012704 seconds -FCI::matvec : Wall time = 0.012618 seconds +FCI::matvec : Wall time = 0.005282 seconds +FCI::matvec : Wall time = 0.005255 seconds +FCI::matvec : Wall time = 0.005262 seconds +FCI::matvec : Wall time = 0.005312 seconds +FCI::matvec : Wall time = 0.005197 seconds +FCI::matvec : Wall time = 0.00528 seconds +FCI::matvec : Wall time = 0.005255 seconds +FCI::matvec : Wall time = 0.005217 seconds +FCI::matvec : Wall time = 0.00521 seconds +FCI::matvec : Wall time = 0.005266 seconds +FCI::matvec : Wall time = 0.005223 seconds +FCI::matvec : Wall time = 0.005275 seconds +FCI::matvec : Wall time = 0.0053 seconds +FCI::matvec : Wall time = 0.005199 seconds +FCI::matvec : Wall time = 0.005255 seconds +FCI::matvec : Wall time = 0.005266 seconds +FCI::matvec : Wall time = 0.005202 seconds +FCI::matvec : Wall time = 0.005195 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 @@ -2700,280 +2716,280 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 17 -Energy at sites (8, 9) is -101.93669399753 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (8, 9) is -104.860588673692 + Stats: nIt(DAVIDSON) = 29 +Energy at sites (7, 8) is -106.582059720066 Stats: nIt(DAVIDSON) = 39 -Energy at sites (7, 8) is -106.585673354901 - Stats: nIt(DAVIDSON) = 37 -Energy at sites (6, 7) is -106.778769266203 - Stats: nIt(DAVIDSON) = 73 -Energy at sites (5, 6) is -107.281508709864 - Stats: nIt(DAVIDSON) = 28 -Energy at sites (4, 5) is -107.345928044205 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -107.346043292454 +Energy at sites (6, 7) is -106.778481970797 + Stats: nIt(DAVIDSON) = 58 +Energy at sites (5, 6) is -107.314399204529 + Stats: nIt(DAVIDSON) = 30 +Energy at sites (4, 5) is -107.346025360345 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (3, 4) is -107.346126365615 Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.346044292304 +Energy at sites (2, 3) is -107.346127623997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346044292304 +Energy at sites (1, 2) is -107.346127623997 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.592991 seconds -*** |--> S.join = 0.003869 seconds -*** |--> S.solve = 1.467547 seconds -*** |--> S.split = 0.018512 seconds -*** |--> Tensor update = 0.102881 seconds -*** |--> create = 0.033713 seconds -*** |--> destroy = 0.002599 seconds -*** |--> disk write = 0.015224 seconds -*** |--> disk read = 0.011925 seconds -*** |--> calc = 0.039342 seconds -*** Disk write bandwidth = 53.782620933641 MB/s -*** Disk read bandwidth = 68.3574556554638 MB/s -*** Minimum energy = -107.346044292304 +*** Elapsed wall time = 0.293552 seconds +*** |--> S.join = 0.000848 seconds +*** |--> S.solve = 0.242109 seconds +*** |--> S.split = 0.002262 seconds +*** |--> Tensor update = 0.048249 seconds +*** |--> create = 0.026106 seconds +*** |--> destroy = 0.001193 seconds +*** |--> disk write = 0.010306 seconds +*** |--> disk read = 0.006058 seconds +*** |--> calc = 0.004552 seconds +*** Disk write bandwidth = 79.4475665722637 MB/s +*** Disk read bandwidth = 134.559699354805 MB/s +*** Minimum energy = -107.346127623997 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346044292304 +Energy at sites (0, 1) is -107.346127623997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346044292304 +Energy at sites (1, 2) is -107.346127623997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346044292304 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (3, 4) is -107.346044293105 +Energy at sites (2, 3) is -107.346127623997 Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -107.346044337676 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -107.346320800779 +Energy at sites (3, 4) is -107.346127625517 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -107.346127671061 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -107.346320525549 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346325478311 +Energy at sites (6, 7) is -107.346325406093 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325478311 +Energy at sites (7, 8) is -107.346325406093 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.983603 seconds -*** |--> S.join = 0.033019 seconds -*** |--> S.solve = 0.603681 seconds -*** |--> S.split = 0.09387 seconds -*** |--> Tensor update = 0.252855 seconds -*** |--> create = 0.037976 seconds -*** |--> destroy = 0.00234 seconds -*** |--> disk write = 0.016157 seconds -*** |--> disk read = 0.011761 seconds -*** |--> calc = 0.184542 seconds -*** Disk write bandwidth = 50.4526000304145 MB/s -*** Disk read bandwidth = 69.6187927126733 MB/s -*** Minimum energy = -107.346325478311 +*** Elapsed wall time = 0.09839 seconds +*** |--> S.join = 0.000855 seconds +*** |--> S.solve = 0.046124 seconds +*** |--> S.split = 0.002293 seconds +*** |--> Tensor update = 0.049022 seconds +*** |--> create = 0.026142 seconds +*** |--> destroy = 0.001342 seconds +*** |--> disk write = 0.010495 seconds +*** |--> disk read = 0.006218 seconds +*** |--> calc = 0.004797 seconds +*** Disk write bandwidth = 77.6715253636404 MB/s +*** Disk read bandwidth = 131.680061288799 MB/s +*** Minimum energy = -107.346325406093 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346325478311 +*** Energy difference with respect to previous leftright sweep = 107.346325406093 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346325478311 +Energy at sites (8, 9) is -107.346325406093 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325478311 +Energy at sites (7, 8) is -107.346325406093 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346325478311 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (5, 6) is -107.346325482147 +Energy at sites (6, 7) is -107.346325406093 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -107.34632541094 Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.346326059371 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.346326108389 +Energy at sites (4, 5) is -107.346326078876 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.346326102849 Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.346326108462 +Energy at sites (2, 3) is -107.346326102856 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326108462 +Energy at sites (1, 2) is -107.346326102856 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.554241 seconds -*** |--> S.join = 0.046569 seconds -*** |--> S.solve = 0.284563 seconds -*** |--> S.split = 0.067537 seconds -*** |--> Tensor update = 0.155343 seconds -*** |--> create = 0.032184 seconds -*** |--> destroy = 0.002567 seconds -*** |--> disk write = 0.01435 seconds -*** |--> disk read = 0.011911 seconds -*** |--> calc = 0.094258 seconds -*** Disk write bandwidth = 57.0583011215157 MB/s -*** Disk read bandwidth = 68.4378019218711 MB/s -*** Minimum energy = -107.346326108462 +*** Elapsed wall time = 0.077028 seconds +*** |--> S.join = 0.000834 seconds +*** |--> S.solve = 0.025321 seconds +*** |--> S.split = 0.002306 seconds +*** |--> Tensor update = 0.048475 seconds +*** |--> create = 0.026053 seconds +*** |--> destroy = 0.001225 seconds +*** |--> disk write = 0.010548 seconds +*** |--> disk read = 0.006045 seconds +*** |--> calc = 0.004575 seconds +*** Disk write bandwidth = 77.6248218708523 MB/s +*** Disk read bandwidth = 134.849075052342 MB/s +*** Minimum energy = -107.346326102856 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326108462 +Energy at sites (0, 1) is -107.346326102856 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326108462 +Energy at sites (1, 2) is -107.346326102856 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326108462 +Energy at sites (2, 3) is -107.346326102856 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326108462 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326108492 +Energy at sites (3, 4) is -107.346326102856 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (4, 5) is -107.346326102855 Stats: nIt(DAVIDSON) = 4 -Energy at sites (5, 6) is -107.34632611479 +Energy at sites (5, 6) is -107.346326114697 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.346326114912 +Energy at sites (6, 7) is -107.346326114762 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114912 +Energy at sites (7, 8) is -107.346326114762 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.514653 seconds -*** |--> S.join = 0.026999 seconds -*** |--> S.solve = 0.224336 seconds -*** |--> S.split = 0.081344 seconds -*** |--> Tensor update = 0.181745 seconds -*** |--> create = 0.038546 seconds -*** |--> destroy = 0.002361 seconds -*** |--> disk write = 0.015479 seconds -*** |--> disk read = 0.012414 seconds -*** |--> calc = 0.112867 seconds -*** Disk write bandwidth = 52.662488448311 MB/s -*** Disk read bandwidth = 65.9567118651321 MB/s -*** Minimum energy = -107.346326114912 +*** Elapsed wall time = 0.066283 seconds +*** |--> S.join = 0.000808 seconds +*** |--> S.solve = 0.013589 seconds +*** |--> S.split = 0.002238 seconds +*** |--> Tensor update = 0.049562 seconds +*** |--> create = 0.026266 seconds +*** |--> destroy = 0.001259 seconds +*** |--> disk write = 0.010838 seconds +*** |--> disk read = 0.006293 seconds +*** |--> calc = 0.004879 seconds +*** Disk write bandwidth = 75.2133842675223 MB/s +*** Disk read bandwidth = 130.110697774313 MB/s +*** Minimum energy = -107.346326114762 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.36601669157244e-07 +*** Energy difference with respect to previous leftright sweep = 7.08668920879063e-07 ****************************************************************** *** 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 = -107.346326114912 -*** Minimum energy encountered during the last sweep = -107.346326114912 +*** Minimum energy encountered during all instructions = -107.346326114762 +*** Minimum energy encountered during the last sweep = -107.346326114762 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.346326114914 +Energy at sites (8, 9) is -107.346326114763 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -107.346326114915 +Energy at sites (7, 8) is -107.346326114764 Stats: nIt(DAVIDSON) = 12 -Energy at sites (6, 7) is -107.346326114916 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (5, 6) is -107.346326114918 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -107.34632611502 +Energy at sites (6, 7) is -107.346326114765 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (5, 6) is -107.346326114768 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.346326115017 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.346326115022 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.346326115022 +Energy at sites (3, 4) is -107.346326115019 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (2, 3) is -107.346326115019 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115022 +Energy at sites (1, 2) is -107.346326115019 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.379548 seconds -*** |--> S.join = 0.008849 seconds -*** |--> S.solve = 0.268288 seconds -*** |--> S.split = 0.003368 seconds -*** |--> Tensor update = 0.098879 seconds -*** |--> create = 0.040783 seconds -*** |--> destroy = 0.002361 seconds -*** |--> disk write = 0.015541 seconds -*** |--> disk read = 0.011745 seconds -*** |--> calc = 0.028373 seconds -*** Disk write bandwidth = 52.6855814357989 MB/s -*** Disk read bandwidth = 69.4050794969269 MB/s -*** Minimum energy = -107.346326115022 +*** Elapsed wall time = 0.135636 seconds +*** |--> S.join = 0.000889 seconds +*** |--> S.solve = 0.0821 seconds +*** |--> S.split = 0.002247 seconds +*** |--> Tensor update = 0.050311 seconds +*** |--> create = 0.026174 seconds +*** |--> destroy = 0.001229 seconds +*** |--> disk write = 0.010413 seconds +*** |--> disk read = 0.006046 seconds +*** |--> calc = 0.006427 seconds +*** Disk write bandwidth = 78.6311938052194 MB/s +*** Disk read bandwidth = 134.82677120268 MB/s +*** Minimum energy = -107.346326115019 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115022 +Energy at sites (0, 1) is -107.346326115019 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115022 +Energy at sites (1, 2) is -107.346326115019 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115022 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (3, 4) is -107.346326115022 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.346326115022 - Stats: nIt(DAVIDSON) = 15 +Energy at sites (2, 3) is -107.346326115019 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.346326115019 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.346326115019 + Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 6 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115025 +Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.395326 seconds -*** |--> S.join = 0.028413 seconds -*** |--> S.solve = 0.962733 seconds -*** |--> S.split = 0.136522 seconds -*** |--> Tensor update = 0.267457 seconds -*** |--> create = 0.041822 seconds -*** |--> destroy = 0.002386 seconds -*** |--> disk write = 0.020522 seconds -*** |--> disk read = 0.015741 seconds -*** |--> calc = 0.186905 seconds -*** Disk write bandwidth = 39.7214042827895 MB/s -*** Disk read bandwidth = 52.0161756618862 MB/s -*** Minimum energy = -107.346326115025 +*** Elapsed wall time = 0.100912 seconds +*** |--> S.join = 0.000822 seconds +*** |--> S.solve = 0.048696 seconds +*** |--> S.split = 0.002256 seconds +*** |--> Tensor update = 0.049049 seconds +*** |--> create = 0.026342 seconds +*** |--> destroy = 0.001186 seconds +*** |--> disk write = 0.010401 seconds +*** |--> disk read = 0.006273 seconds +*** |--> calc = 0.004815 seconds +*** Disk write bandwidth = 78.3734889617735 MB/s +*** Disk read bandwidth = 130.525525441376 MB/s +*** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.12038378574653e-10 +*** Energy difference with respect to previous leftright sweep = 2.62190269495477e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115025 +Energy at sites (7, 8) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346326115025 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.346326115025 +Energy at sites (6, 7) is -107.346326115024 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.346326115024 +Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 8 -Energy at sites (3, 4) is -107.346326115025 +Energy at sites (3, 4) is -107.346326115024 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.346326115024 +Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115024 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.382313 seconds -*** |--> S.join = 0.027139 seconds -*** |--> S.solve = 0.208285 seconds -*** |--> S.split = 0.040137 seconds -*** |--> Tensor update = 0.106564 seconds -*** |--> create = 0.038156 seconds -*** |--> destroy = 0.002441 seconds -*** |--> disk write = 0.019947 seconds -*** |--> disk read = 0.012081 seconds -*** |--> calc = 0.033859 seconds -*** Disk write bandwidth = 41.0481085423247 MB/s -*** Disk read bandwidth = 67.4747668811693 MB/s +*** Elapsed wall time = 0.079662 seconds +*** |--> S.join = 0.000861 seconds +*** |--> S.solve = 0.028168 seconds +*** |--> S.split = 0.002367 seconds +*** |--> Tensor update = 0.048166 seconds +*** |--> create = 0.025945 seconds +*** |--> destroy = 0.001245 seconds +*** |--> disk write = 0.010484 seconds +*** |--> disk read = 0.005978 seconds +*** |--> calc = 0.004482 seconds +*** Disk write bandwidth = 78.0986857205027 MB/s +*** Disk read bandwidth = 136.360431363567 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115024 +Energy at sites (0, 1) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115024 +Energy at sites (1, 2) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115025 - Stats: nIt(DAVIDSON) = 2 + Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326115024 +Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.346326115025 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -107.346326115024 +Energy at sites (6, 7) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.342082 seconds -*** |--> S.join = 0.014844 seconds -*** |--> S.solve = 0.23574 seconds -*** |--> S.split = 0.002924 seconds -*** |--> Tensor update = 0.08843 seconds -*** |--> create = 0.035454 seconds -*** |--> destroy = 0.002391 seconds -*** |--> disk write = 0.01549 seconds -*** |--> disk read = 0.01213 seconds -*** |--> calc = 0.022859 seconds -*** Disk write bandwidth = 52.6250909419888 MB/s -*** Disk read bandwidth = 67.5009580456513 MB/s +*** Elapsed wall time = 0.077069 seconds +*** |--> S.join = 0.000811 seconds +*** |--> S.solve = 0.024956 seconds +*** |--> S.split = 0.002239 seconds +*** |--> Tensor update = 0.048972 seconds +*** |--> create = 0.026155 seconds +*** |--> destroy = 0.001228 seconds +*** |--> disk write = 0.010409 seconds +*** |--> disk read = 0.006277 seconds +*** |--> calc = 0.004872 seconds +*** Disk write bandwidth = 78.3132537891638 MB/s +*** Disk read bandwidth = 130.442348429783 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.13686837721616e-13 +*** Energy difference with respect to previous leftright sweep = 1.4210854715202e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2987,52 +3003,52 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 - NOON of irrep Ag = [ 1.99999018535372 , 1.99292175278353 , 1.03221285678997 ]. - NOON of irrep B2g = [ 1.0241531025866 ]. - NOON of irrep B3g = [ 0.0896934287798139 ]. - NOON of irrep B1u = [ 1.99999295584654 , 1.95039154288721 , 0.0159495095266792 ]. - NOON of irrep B2u = [ 1.91962159296629 ]. - NOON of irrep B3u = [ 1.97507307247962 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322991618356 , 0.0447141466421758 , 0.838966994380919 , 0.790658960283012 , 0.317368561170114 , 9.24989501042582e-05 , 0.227634117151596 , 0.0907424584716587 , 0.299652804870821 , 0.133979297017105 ]. - Idistance(0) = 1.57215407906805 - Idistance(1) = 5.1580544832795 - Idistance(2) = 21.9866409884708 + Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025 + NOON of irrep Ag = [ 1.99999018535366 , 1.99292175272549 , 1.03221285689794 ]. + NOON of irrep B2g = [ 1.02415310257592 ]. + NOON of irrep B3g = [ 0.0896934287642527 ]. + NOON of irrep B1u = [ 1.99999295584654 , 1.95039154286759 , 0.0159495095097472 ]. + NOON of irrep B2u = [ 1.91962159297969 ]. + NOON of irrep B3u = [ 1.97507307247919 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322992650013 , 0.0447141469878163 , 0.838966993996477 , 0.790658960320321 , 0.317368561094941 , 9.2498950097279e-05 , 0.227634117218542 , 0.0907424583672445 , 0.299652804800771 , 0.13397929701899 ]. + Idistance(0) = 1.57215407883146 + Idistance(1) = 5.15805448296398 + Idistance(2) = 21.9866409905901 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.415093 seconds -*** |--> MPS gauge change = 0.079415 seconds -*** |--> Diagram calc = 0.033337 seconds -*** |--> Tensor update = 0.300771 seconds -*** |--> create = 0.084344 seconds -*** |--> destroy = 0.005081 seconds -*** |--> disk write = 0.035776 seconds -*** |--> disk read = 0.032066 seconds -*** |--> calc = 0.143134 seconds -*** Disk write bandwidth = 46.4240212346659 MB/s -*** Disk read bandwidth = 51.7952280824364 MB/s +*** Elapsed wall time = 0.124694 seconds +*** |--> MPS gauge change = 0.001161 seconds +*** |--> Diagram calc = 0.007741 seconds +*** |--> Tensor update = 0.114716 seconds +*** |--> create = 0.060387 seconds +*** |--> destroy = 0.002815 seconds +*** |--> disk write = 0.02419 seconds +*** |--> disk read = 0.014768 seconds +*** |--> calc = 0.012425 seconds +*** Disk write bandwidth = 68.6591890736423 MB/s +*** Disk read bandwidth = 112.463826089613 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 = 0.152956 seconds -FCI::matvec : Wall time = 0.021553 seconds -FCI::matvec : Wall time = 0.030331 seconds -FCI::matvec : Wall time = 0.016959 seconds -FCI::matvec : Wall time = 0.031146 seconds -FCI::matvec : Wall time = 0.020838 seconds -FCI::matvec : Wall time = 1.000894 seconds -FCI::matvec : Wall time = 0.020342 seconds -FCI::matvec : Wall time = 0.063874 seconds -FCI::matvec : Wall time = 0.664313 seconds -FCI::matvec : Wall time = 0.0216 seconds -FCI::matvec : Wall time = 0.030513 seconds -FCI::matvec : Wall time = 0.016718 seconds -FCI::matvec : Wall time = 0.024911 seconds -FCI::matvec : Wall time = 0.029678 seconds -FCI::matvec : Wall time = 0.016751 seconds -FCI::matvec : Wall time = 0.024979 seconds -FCI::matvec : Wall time = 0.024723 seconds +FCI::matvec : Wall time = 0.007472 seconds +FCI::matvec : Wall time = 0.00755 seconds +FCI::matvec : Wall time = 0.007577 seconds +FCI::matvec : Wall time = 0.007576 seconds +FCI::matvec : Wall time = 0.007575 seconds +FCI::matvec : Wall time = 0.007532 seconds +FCI::matvec : Wall time = 0.007503 seconds +FCI::matvec : Wall time = 0.007594 seconds +FCI::matvec : Wall time = 0.007592 seconds +FCI::matvec : Wall time = 0.007589 seconds +FCI::matvec : Wall time = 0.007556 seconds +FCI::matvec : Wall time = 0.007559 seconds +FCI::matvec : Wall time = 0.007608 seconds +FCI::matvec : Wall time = 0.007576 seconds +FCI::matvec : Wall time = 0.007536 seconds +FCI::matvec : Wall time = 0.007591 seconds +FCI::matvec : Wall time = 0.007623 seconds +FCI::matvec : Wall time = 0.007547 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 @@ -3054,177 +3070,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 14 -Energy at sites (8, 9) is -104.112202495603 - Stats: nIt(DAVIDSON) = 26 -Energy at sites (7, 8) is -106.641845127484 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (8, 9) is -103.885344741367 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (7, 8) is -106.537868114276 Stats: nIt(DAVIDSON) = 45 -Energy at sites (6, 7) is -106.951332469152 - Stats: nIt(DAVIDSON) = 56 -Energy at sites (5, 6) is -107.185791882849 +Energy at sites (6, 7) is -106.95035975718 + Stats: nIt(DAVIDSON) = 68 +Energy at sites (5, 6) is -107.182008339516 Stats: nIt(DAVIDSON) = 45 -Energy at sites (4, 5) is -107.188351707699 - Stats: nIt(DAVIDSON) = 38 -Energy at sites (3, 4) is -107.199548250599 +Energy at sites (4, 5) is -107.189041406511 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (3, 4) is -107.199534695319 Stats: nIt(DAVIDSON) = 11 -Energy at sites (2, 3) is -107.199563535181 +Energy at sites (2, 3) is -107.199551546783 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199563535181 +Energy at sites (1, 2) is -107.199551546783 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.506381 seconds -*** |--> S.join = 0.023149 seconds -*** |--> S.solve = 2.331428 seconds -*** |--> S.split = 0.022933 seconds -*** |--> Tensor update = 0.128684 seconds -*** |--> create = 0.032413 seconds -*** |--> destroy = 0.002501 seconds -*** |--> disk write = 0.016364 seconds -*** |--> disk read = 0.011875 seconds -*** |--> calc = 0.065454 seconds -*** Disk write bandwidth = 51.4042345418583 MB/s -*** Disk read bandwidth = 70.5309416118421 MB/s -*** Minimum energy = -107.199563535181 +*** Elapsed wall time = 0.350457 seconds +*** |--> S.join = 0.000826 seconds +*** |--> S.solve = 0.29895 seconds +*** |--> S.split = 0.002234 seconds +*** |--> Tensor update = 0.048352 seconds +*** |--> create = 0.026056 seconds +*** |--> destroy = 0.001285 seconds +*** |--> disk write = 0.01064 seconds +*** |--> disk read = 0.006015 seconds +*** |--> calc = 0.004324 seconds +*** Disk write bandwidth = 79.0581667333617 MB/s +*** Disk read bandwidth = 139.244377662614 MB/s +*** Minimum energy = -107.199551546783 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199563535181 +Energy at sites (0, 1) is -107.199551546783 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199563535181 +Energy at sites (1, 2) is -107.199551546783 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199563535181 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.199563538557 +Energy at sites (2, 3) is -107.199551546783 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.199551554791 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.19957237105 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -107.199614851063 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -107.199617333755 +Energy at sites (4, 5) is -107.199570121289 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -107.19961730001 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -107.199617300619 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617333755 +Energy at sites (7, 8) is -107.199617300619 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.622467 seconds -*** |--> S.join = 0.018029 seconds -*** |--> S.solve = 0.413354 seconds -*** |--> S.split = 0.061512 seconds -*** |--> Tensor update = 0.129388 seconds -*** |--> create = 0.035162 seconds -*** |--> destroy = 0.00235 seconds -*** |--> disk write = 0.015994 seconds -*** |--> disk read = 0.012489 seconds -*** |--> calc = 0.06331 seconds -*** Disk write bandwidth = 52.3668207853336 MB/s -*** Disk read bandwidth = 67.3535826761925 MB/s -*** Minimum energy = -107.199617333755 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617333755 +*** Elapsed wall time = 0.097755 seconds +*** |--> S.join = 0.000813 seconds +*** |--> S.solve = 0.045363 seconds +*** |--> S.split = 0.002306 seconds +*** |--> Tensor update = 0.049182 seconds +*** |--> create = 0.026075 seconds +*** |--> destroy = 0.001188 seconds +*** |--> disk write = 0.010873 seconds +*** |--> disk read = 0.006355 seconds +*** |--> calc = 0.00466400000000004 seconds +*** Disk write bandwidth = 77.0307120059436 MB/s +*** Disk read bandwidth = 132.364892847045 MB/s +*** Minimum energy = -107.199617300619 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.199617300619 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617333755 +Energy at sites (8, 9) is -107.199617300619 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617333755 +Energy at sites (7, 8) is -107.199617300619 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617333755 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -107.199617346065 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.199617382878 +Energy at sites (6, 7) is -107.199617300619 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (5, 6) is -107.199617300619 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.199617373198 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199617421333 +Energy at sites (3, 4) is -107.199617420397 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.199617421593 +Energy at sites (2, 3) is -107.199617421446 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421593 +Energy at sites (1, 2) is -107.199617421446 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.190341 seconds -*** |--> S.join = 0.01872 seconds -*** |--> S.solve = 0.090324 seconds -*** |--> S.split = 0.004084 seconds -*** |--> Tensor update = 0.077065 seconds -*** |--> create = 0.03414 seconds -*** |--> destroy = 0.002429 seconds -*** |--> disk write = 0.016006 seconds -*** |--> disk read = 0.014431 seconds -*** |--> calc = 0.009977 seconds -*** Disk write bandwidth = 52.5539731377589 MB/s -*** Disk read bandwidth = 58.0385927268121 MB/s -*** Minimum energy = -107.199617421593 +*** Elapsed wall time = 0.067586 seconds +*** |--> S.join = 0.000819 seconds +*** |--> S.solve = 0.016627 seconds +*** |--> S.split = 0.002243 seconds +*** |--> Tensor update = 0.047815 seconds +*** |--> create = 0.025779 seconds +*** |--> destroy = 0.001197 seconds +*** |--> disk write = 0.010497 seconds +*** |--> disk read = 0.005999 seconds +*** |--> calc = 0.004311 seconds +*** Disk write bandwidth = 80.1351713863931 MB/s +*** Disk read bandwidth = 139.615757899754 MB/s +*** Minimum energy = -107.199617421446 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617421593 +Energy at sites (0, 1) is -107.199617421446 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421593 +Energy at sites (1, 2) is -107.199617421446 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421593 +Energy at sites (2, 3) is -107.199617421446 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617421593 +Energy at sites (3, 4) is -107.199617421446 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617421648 +Energy at sites (4, 5) is -107.199617421519 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.199617421888 +Energy at sites (5, 6) is -107.19961742186 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617421889 +Energy at sites (6, 7) is -107.19961742186 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421889 +Energy at sites (7, 8) is -107.19961742186 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.148061 seconds -*** |--> S.join = 0.017615 seconds -*** |--> S.solve = 0.027703 seconds -*** |--> S.split = 0.004051 seconds -*** |--> Tensor update = 0.098525 seconds -*** |--> create = 0.03487 seconds -*** |--> destroy = 0.002293 seconds -*** |--> disk write = 0.015473 seconds -*** |--> disk read = 0.012091 seconds -*** |--> calc = 0.033725 seconds -*** Disk write bandwidth = 54.1300931713711 MB/s -*** Disk read bandwidth = 69.5706636376618 MB/s -*** Minimum energy = -107.199617421889 +*** Elapsed wall time = 0.061298 seconds +*** |--> S.join = 0.00082 seconds +*** |--> S.solve = 0.009642 seconds +*** |--> S.split = 0.002212 seconds +*** |--> Tensor update = 0.048534 seconds +*** |--> create = 0.025955 seconds +*** |--> destroy = 0.001201 seconds +*** |--> disk write = 0.010483 seconds +*** |--> disk read = 0.006181 seconds +*** |--> calc = 0.00469 seconds +*** Disk write bandwidth = 79.8964925727964 MB/s +*** Disk read bandwidth = 136.09106844248 MB/s +*** Minimum energy = -107.19961742186 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 8.81332766766718e-08 +*** Energy difference with respect to previous leftright sweep = 1.2124121440138e-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 = -107.199617421889 -*** Minimum energy encountered during the last sweep = -107.199617421889 +*** Minimum energy encountered during all instructions = -107.19961742186 +*** Minimum energy encountered during the last sweep = -107.19961742186 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.199617421899 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (8, 9) is -107.199617421887 Stats: nIt(DAVIDSON) = 11 -Energy at sites (7, 8) is -107.199617421908 +Energy at sites (7, 8) is -107.199617421899 Stats: nIt(DAVIDSON) = 17 -Energy at sites (6, 7) is -107.199617421914 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (5, 6) is -107.199617421915 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.199617421917 +Energy at sites (6, 7) is -107.199617421911 + Stats: nIt(DAVIDSON) = 23 +Energy at sites (5, 6) is -107.199617421913 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.199617421918 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.199617421918 +Energy at sites (4, 5) is -107.199617421916 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (3, 4) is -107.199617421919 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.467667 seconds -*** |--> S.join = 0.019344 seconds -*** |--> S.solve = 1.112329 seconds -*** |--> S.split = 0.110006 seconds -*** |--> Tensor update = 0.225755 seconds -*** |--> create = 0.033371 seconds -*** |--> destroy = 0.002378 seconds -*** |--> disk write = 0.016553 seconds -*** |--> disk read = 0.011925 seconds -*** |--> calc = 0.161439 seconds -*** Disk write bandwidth = 50.8173076809623 MB/s -*** Disk read bandwidth = 70.2352143933438 MB/s +*** Elapsed wall time = 0.150448 seconds +*** |--> S.join = 0.00083 seconds +*** |--> S.solve = 0.099429 seconds +*** |--> S.split = 0.002254 seconds +*** |--> Tensor update = 0.04785 seconds +*** |--> create = 0.025895 seconds +*** |--> destroy = 0.001232 seconds +*** |--> disk write = 0.010357 seconds +*** |--> disk read = 0.006004 seconds +*** |--> calc = 0.004332 seconds +*** Disk write bandwidth = 81.2183927819802 MB/s +*** Disk read bandwidth = 139.499488947473 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3234,7 +3250,7 @@ Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 - Stats: nIt(DAVIDSON) = 6 + Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199617421919 @@ -3246,21 +3262,21 @@ Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.628515 seconds -*** |--> S.join = 0.039895 seconds -*** |--> S.solve = 0.375191 seconds -*** |--> S.split = 0.055888 seconds -*** |--> Tensor update = 0.157314 seconds -*** |--> create = 0.042972 seconds -*** |--> destroy = 0.002468 seconds -*** |--> disk write = 0.016387 seconds -*** |--> disk read = 0.017495 seconds -*** |--> calc = 0.07791 seconds -*** Disk write bandwidth = 51.1109374284875 MB/s -*** Disk read bandwidth = 48.0811028318359 MB/s +*** Elapsed wall time = 0.10356 seconds +*** |--> S.join = 0.000782 seconds +*** |--> S.solve = 0.052208 seconds +*** |--> S.split = 0.002236 seconds +*** |--> Tensor update = 0.048246 seconds +*** |--> create = 0.025859 seconds +*** |--> destroy = 0.001187 seconds +*** |--> disk write = 0.01035 seconds +*** |--> disk read = 0.006186 seconds +*** |--> calc = 0.004638 seconds +*** Disk write bandwidth = 80.9231818010266 MB/s +*** Disk read bandwidth = 135.981069195436 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.01554337056587e-11 +*** Energy difference with respect to previous leftright sweep = 5.84066128794802e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3275,54 +3291,54 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 - NOON of irrep Ag = [ 1.9999881465108 , 1.98924041566723 , 1.87687857975334 ]. - NOON of irrep B2g = [ 0.139387811477492 ]. - NOON of irrep B3g = [ 1.03112739712668 ]. - NOON of irrep B1u = [ 1.99999431244149 , 1.1083916408423 , 0.0211636956880895 ]. - NOON of irrep B2u = [ 1.96715797345015 ]. - NOON of irrep B3u = [ 1.86667002704243 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980007718871 , 0.0818410215414553 , 0.449623198674914 , 0.486645056061081 , 0.811029482348043 , 6.68868116431258e-05 , 0.96204661387418 , 0.112095070362103 , 0.167176150885357 , 0.47508246165599 ]. - Idistance(0) = 2.38445939384093 - Idistance(1) = 9.57998274742023 - Idistance(2) = 47.8783647216812 + NOON of irrep Ag = [ 1.99998814651064 , 1.98924041564954 , 1.87687858022072 ]. + NOON of irrep B2g = [ 0.13938781132055 ]. + NOON of irrep B3g = [ 1.03112739676682 ]. + NOON of irrep B1u = [ 1.99999431244152 , 1.10839164039288 , 0.021163695659466 ]. + NOON of irrep B2u = [ 1.96715797381957 ]. + NOON of irrep B3u = [ 1.86667002721828 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980005385331 , 0.081841021592909 , 0.44962319740866 , 0.486645055696349 , 0.81102948123115 , 6.68868115098061e-05 , 0.962046613242518 , 0.112095070281867 , 0.167176149353817 , 0.475082461247164 ]. + Idistance(0) = 2.38445939199843 + Idistance(1) = 9.57998273784755 + Idistance(2) = 47.8783646772829 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.58766 seconds -*** |--> MPS gauge change = 0.151029 seconds -*** |--> Diagram calc = 0.047058 seconds -*** |--> Tensor update = 0.388162 seconds -*** |--> create = 0.0789390000000001 seconds -*** |--> destroy = 0.004879 seconds -*** |--> disk write = 0.0361 seconds -*** |--> disk read = 0.028219 seconds -*** |--> calc = 0.239592 seconds -*** Disk write bandwidth = 47.2479315675857 MB/s -*** Disk read bandwidth = 60.4433300113344 MB/s +*** Elapsed wall time = 0.12353 seconds +*** |--> MPS gauge change = 0.001214 seconds +*** |--> Diagram calc = 0.007771 seconds +*** |--> Tensor update = 0.113482 seconds +*** |--> create = 0.059347 seconds +*** |--> destroy = 0.00279 seconds +*** |--> disk write = 0.024314 seconds +*** |--> disk read = 0.014751 seconds +*** |--> calc = 0.012158 seconds +*** Disk write bandwidth = 70.1509553997633 MB/s +*** Disk read bandwidth = 115.629471194485 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 = 0.806008 seconds -FCI::matvec : Wall time = 0.028456 seconds -FCI::matvec : Wall time = 0.030376 seconds -FCI::matvec : Wall time = 0.017375 seconds -FCI::matvec : Wall time = 0.025275 seconds -FCI::matvec : Wall time = 0.029442 seconds -FCI::matvec : Wall time = 0.023393 seconds -FCI::matvec : Wall time = 0.027557 seconds -FCI::matvec : Wall time = 0.026327 seconds -FCI::matvec : Wall time = 0.598601 seconds -FCI::matvec : Wall time = 0.03052 seconds -FCI::matvec : Wall time = 0.021981 seconds -FCI::matvec : Wall time = 0.027003 seconds -FCI::matvec : Wall time = 0.026999 seconds -FCI::matvec : Wall time = 0.02137 seconds -FCI::matvec : Wall time = 0.025454 seconds -FCI::matvec : Wall time = 0.025586 seconds -FCI::matvec : Wall time = 0.655991 seconds -FCI::matvec : Wall time = 0.026243 seconds -FCI::matvec : Wall time = 0.025744 seconds -FCI::matvec : Wall time = 0.020965 seconds +FCI::matvec : Wall time = 0.00752 seconds +FCI::matvec : Wall time = 0.007512 seconds +FCI::matvec : Wall time = 0.007476 seconds +FCI::matvec : Wall time = 0.007485 seconds +FCI::matvec : Wall time = 0.007512 seconds +FCI::matvec : Wall time = 0.007498 seconds +FCI::matvec : Wall time = 0.007487 seconds +FCI::matvec : Wall time = 0.007489 seconds +FCI::matvec : Wall time = 0.007591 seconds +FCI::matvec : Wall time = 0.007523 seconds +FCI::matvec : Wall time = 0.007465 seconds +FCI::matvec : Wall time = 0.007467 seconds +FCI::matvec : Wall time = 0.007532 seconds +FCI::matvec : Wall time = 0.007508 seconds +FCI::matvec : Wall time = 0.007481 seconds +FCI::matvec : Wall time = 0.007489 seconds +FCI::matvec : Wall time = 0.007545 seconds +FCI::matvec : Wall time = 0.007484 seconds +FCI::matvec : Wall time = 0.007426 seconds +FCI::matvec : Wall time = 0.007547 seconds +FCI::matvec : Wall time = 0.00757 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 @@ -3342,7 +3358,7 @@ debian/rules override_dh_auto_install make[1]: Entering directory '/build/chemps2-1.8.12' dh_auto_install - cd obj-i686-linux-gnu && make -j8 install DESTDIR=/build/chemps2-1.8.12/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-i686-linux-gnu && make -j15 install DESTDIR=/build/chemps2-1.8.12/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[3]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' @@ -3352,8 +3368,15 @@ make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 66%] Built target chemps2-static -[ 67%] Built target chemps2-shared +[ 66%] Built target chemps2-shared +[ 67%] Built target chemps2-static +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' @@ -3370,35 +3393,28 @@ make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 69%] Built target test7 -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 71%] Built target test1 -[ 76%] Built target test4 -[ 76%] Built target test3 -[ 78%] Built target test2 -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 80%] Built target test5 -[ 82%] Built target test6 -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 84%] Built target chemps2-bin make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' -[ 86%] Built target test8 -[ 89%] Built target test9 -[ 93%] Built target test12 -[ 93%] Built target test11 -[ 95%] Built target test10 -[100%] Built target test14 -[100%] Built target test13 +[ 69%] Built target test7 +[ 71%] Built target test4 +[ 73%] Built target test1 +[ 76%] Built target test9 +[ 79%] Built target test12 +[ 81%] Built target test5 +[ 82%] Built target test3 +[ 84%] Built target test6 +[ 86%] Built target test2 +[ 89%] Built target test10 +[ 91%] Built target test11 +[ 93%] Built target test8 +[ 95%] Built target test13 +[ 97%] Built target test14 +[100%] Built target chemps2-bin make[3]: Leaving directory '/build/chemps2-1.8.12/obj-i686-linux-gnu' Install the project... -- Install configuration: "release" @@ -3413,56 +3429,56 @@ -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/lib/i386-linux-gnu/libchemps2.a -- Up-to-date: /build/chemps2-1.8.12/debian/tmp/usr/bin/chemps2 -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2 --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Special.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoDM.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS1.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConjugateGradient.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConvergenceScheme.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Problem.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/SyBookkeeper.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FourIndex.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASPT2.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF0.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorL.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/MPIchemps2.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Options.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF1.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConvergenceScheme.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFindices.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Davidson.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Correlations.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorGYZ.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Initialize.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Excitation.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Heff.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Sobject.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASPT2.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF1.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS0.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FCI.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/MPIchemps2.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorL.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASSCF.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS1.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoDM.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Lapack.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Wigner.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Irreps.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ThreeDM.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DIIS.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Correlations.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorX.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Special.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoIndex.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConjugateGradient.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor3RDM.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorX.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Cumulant.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Molden.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorQ.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorOperator.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Hamiltonian.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Problem.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorGYZ.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRG.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FourIndex.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFindices.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/SyBookkeeper.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DIIS.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Cumulant.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorKM.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRG.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Hamiltonian.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Wigner.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Molden.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorO.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorT.h --- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF0.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Irreps.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Excitation.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASSCF.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Heff.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorQ.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FCI.h +-- Installing: /build/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS0.h -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake -- Installing: /build/chemps2-1.8.12/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake @@ -3492,7 +3508,7 @@ dh_makeshlibs dpkg-gensymbols: warning: debian/libchemps2-3/DEBIAN/symbols doesn't match completely debian/libchemps2-3.symbols --- debian/libchemps2-3.symbols (libchemps2-3_1.8.12-1_i386) -+++ dpkg-gensymbols_lzQt6 2023-04-13 04:43:29.045833049 -1200 ++++ dpkg-gensymbolsg2IVc5 2024-05-16 13:09:22.692968644 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3552,11 +3568,11 @@ dh_installdeb dh_gencontrol dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined -dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package chemps2-doc: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package libchemps2-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined +dpkg-gencontrol: warning: package libchemps2-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined dh_md5sums @@ -3565,8 +3581,8 @@ dpkg-deb: building package 'libchemps2-3-dbgsym' in '../libchemps2-3-dbgsym_1.8.12-1_i386.deb'. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-1_i386.deb'. dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-1_all.deb'. -dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-1_i386.deb'. dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-1_i386.deb'. +dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-1_i386.deb'. dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-1_i386.deb'. dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-1_i386.deb'. dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-1_i386.buildinfo @@ -3576,12 +3592,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/10173/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/10173/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/7915 and its subdirectories -I: Current time: Thu Apr 13 04:43:37 -12 2023 -I: pbuilder-time-stamp: 1681404217 +I: removing directory /srv/workspace/pbuilder/10173 and its subdirectories +I: Current time: Thu May 16 13:09:26 +14 2024 +I: pbuilder-time-stamp: 1715814566