Diff of the two buildlogs: -- --- b1/build.log 2021-11-30 12:51:19.258736109 +0000 +++ b2/build.log 2021-11-30 14:10:32.900453491 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Mon Jan 2 07:09:37 -12 2023 -I: pbuilder-time-stamp: 1672686577 +I: Current time: Wed Dec 1 02:51:34 +14 2021 +I: pbuilder-time-stamp: 1638276694 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/buster-reproducible-base.tgz] I: copying local configuration @@ -17,7 +17,7 @@ I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' gpgv: keyblock resource '/root/.gnupg/trustedkeys.kbx': General error -gpgv: Signature made Thu Nov 15 23:39:12 2018 -12 +gpgv: Signature made Sat Nov 17 01:39:12 2018 +14 gpgv: using RSA key 25E3FF2D7F469DBE7D0D4E50AFCFEC8E669CE1C2 gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./chemps2_1.8.9-1.dsc @@ -26,136 +26,170 @@ dpkg-source: info: unpacking chemps2_1.8.9-1.debian.tar.xz I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3813601/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2042328/tmp/hooks/D01_modify_environment starting +debug: Running on ionos1-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +Removing 'diversion of /bin/sh to /bin/sh.distrib by dash' +Adding 'diversion of /bin/sh to /bin/sh.distrib by bash' +Removing 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash' +Adding 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by bash' +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/2042328/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2042328/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' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=16' - DISTRIBUTION='' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="0" [2]="3" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.0.3(1)-release' + BUILDDIR=/build + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=15' + DIRSTACK=() + DISTRIBUTION= + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='598c730b9df146b2b85c4ca46f60a3db' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='3813601' - PS1='# ' - PS2='> ' + INVOCATION_ID=3936f2bcbb9642bb8bd90b19b6b1ee9e + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=2042328 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/tmp.ofAq7A3YsH/pbuilderrc_Z44r --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.ofAq7A3YsH/b1 --logfile b1/build.log chemps2_1.8.9-1.dsc' - SUDO_GID='111' - SUDO_UID='106' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://85.184.249.68:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.ofAq7A3YsH/pbuilderrc_5stJ --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.ofAq7A3YsH/b2 --logfile b2/build.log chemps2_1.8.9-1.dsc' + SUDO_GID=110 + SUDO_UID=105 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://78.137.99.97:3128 I: uname -a - Linux ionos15-amd64 5.14.0-0.bpo.2-amd64 #1 SMP Debian 5.14.9-2~bpo11+1 (2021-10-10) x86_64 GNU/Linux + Linux i-capture-the-hostname 5.10.0-9-amd64 #1 SMP Debian 5.10.70-1 (2021-09-30) x86_64 GNU/Linux I: ls -l /bin total 5116 - -rwxr-xr-x 1 root root 1168776 Apr 17 2019 bash - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bunzip2 - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzcat - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzcmp -> bzdiff - -rwxr-xr-x 1 root root 2227 Jul 10 2019 bzdiff - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzegrep -> bzgrep - -rwxr-xr-x 1 root root 4877 Jun 24 2019 bzexe - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzfgrep -> bzgrep - -rwxr-xr-x 1 root root 3641 Jul 10 2019 bzgrep - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzip2 - -rwxr-xr-x 1 root root 14328 Jul 10 2019 bzip2recover - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzless -> bzmore - -rwxr-xr-x 1 root root 1297 Jul 10 2019 bzmore - -rwxr-xr-x 1 root root 43744 Feb 28 2019 cat - -rwxr-xr-x 1 root root 64320 Feb 28 2019 chgrp - -rwxr-xr-x 1 root root 64288 Feb 28 2019 chmod - -rwxr-xr-x 1 root root 72512 Feb 28 2019 chown - -rwxr-xr-x 1 root root 146880 Feb 28 2019 cp - -rwxr-xr-x 1 root root 121464 Jan 17 2019 dash - -rwxr-xr-x 1 root root 109408 Feb 28 2019 date - -rwxr-xr-x 1 root root 76712 Feb 28 2019 dd - -rwxr-xr-x 1 root root 93744 Feb 28 2019 df - -rwxr-xr-x 1 root root 138856 Feb 28 2019 dir - -rwxr-xr-x 1 root root 84288 Jan 9 2019 dmesg - lrwxrwxrwx 1 root root 8 Sep 26 2018 dnsdomainname -> hostname - lrwxrwxrwx 1 root root 8 Sep 26 2018 domainname -> hostname - -rwxr-xr-x 1 root root 39520 Feb 28 2019 echo - -rwxr-xr-x 1 root root 28 Jan 7 2019 egrep - -rwxr-xr-x 1 root root 35424 Feb 28 2019 false - -rwxr-xr-x 1 root root 28 Jan 7 2019 fgrep - -rwxr-xr-x 1 root root 68880 Jan 9 2019 findmnt - -rwsr-xr-x 1 root root 34896 Apr 22 2020 fusermount - -rwxr-xr-x 1 root root 198976 Jan 7 2019 grep - -rwxr-xr-x 2 root root 2345 Jan 5 2019 gunzip - -rwxr-xr-x 1 root root 6375 Jan 5 2019 gzexe - -rwxr-xr-x 1 root root 98048 Jan 5 2019 gzip - -rwxr-xr-x 1 root root 26696 Sep 26 2018 hostname - -rwxr-xr-x 1 root root 68552 Feb 28 2019 ln - -rwxr-xr-x 1 root root 56760 Jul 26 2018 login - -rwxr-xr-x 1 root root 138856 Feb 28 2019 ls - -rwxr-xr-x 1 root root 108624 Jan 9 2019 lsblk - -rwxr-xr-x 1 root root 89088 Feb 28 2019 mkdir - -rwxr-xr-x 1 root root 68544 Feb 28 2019 mknod - -rwxr-xr-x 1 root root 43808 Feb 28 2019 mktemp - -rwxr-xr-x 1 root root 43008 Jan 9 2019 more - -rwsr-xr-x 1 root root 51280 Jan 9 2019 mount - -rwxr-xr-x 1 root root 14408 Jan 9 2019 mountpoint - -rwxr-xr-x 1 root root 138728 Feb 28 2019 mv - lrwxrwxrwx 1 root root 8 Sep 26 2018 nisdomainname -> hostname - lrwxrwxrwx 1 root root 14 Feb 14 2019 pidof -> /sbin/killall5 - -rwxr-xr-x 1 root root 39616 Feb 28 2019 pwd - lrwxrwxrwx 1 root root 4 Apr 17 2019 rbash -> bash - -rwxr-xr-x 1 root root 47776 Feb 28 2019 readlink - -rwxr-xr-x 1 root root 68416 Feb 28 2019 rm - -rwxr-xr-x 1 root root 47776 Feb 28 2019 rmdir - -rwxr-xr-x 1 root root 23312 Jan 21 2019 run-parts - -rwxr-xr-x 1 root root 122224 Dec 22 2018 sed - lrwxrwxrwx 1 root root 4 Dec 10 16:20 sh -> dash - -rwxr-xr-x 1 root root 39552 Feb 28 2019 sleep - -rwxr-xr-x 1 root root 80672 Feb 28 2019 stty - -rwsr-xr-x 1 root root 63568 Jan 9 2019 su - -rwxr-xr-x 1 root root 35488 Feb 28 2019 sync - -rwxr-xr-x 1 root root 445560 Apr 23 2019 tar - -rwxr-xr-x 1 root root 14440 Jan 21 2019 tempfile - -rwxr-xr-x 1 root root 97152 Feb 28 2019 touch - -rwxr-xr-x 1 root root 35424 Feb 28 2019 true - -rwxr-xr-x 1 root root 14328 Apr 22 2020 ulockmgr_server - -rwsr-xr-x 1 root root 34888 Jan 9 2019 umount - -rwxr-xr-x 1 root root 39584 Feb 28 2019 uname - -rwxr-xr-x 2 root root 2345 Jan 5 2019 uncompress - -rwxr-xr-x 1 root root 138856 Feb 28 2019 vdir - -rwxr-xr-x 1 root root 34896 Jan 9 2019 wdctl - -rwxr-xr-x 1 root root 946 Jan 21 2019 which - lrwxrwxrwx 1 root root 8 Sep 26 2018 ypdomainname -> hostname - -rwxr-xr-x 1 root root 1983 Jan 5 2019 zcat - -rwxr-xr-x 1 root root 1677 Jan 5 2019 zcmp - -rwxr-xr-x 1 root root 5879 Jan 5 2019 zdiff - -rwxr-xr-x 1 root root 29 Jan 5 2019 zegrep - -rwxr-xr-x 1 root root 29 Jan 5 2019 zfgrep - -rwxr-xr-x 1 root root 2080 Jan 5 2019 zforce - -rwxr-xr-x 1 root root 7584 Jan 5 2019 zgrep - -rwxr-xr-x 1 root root 2205 Jan 5 2019 zless - -rwxr-xr-x 1 root root 1841 Jan 5 2019 zmore - -rwxr-xr-x 1 root root 4552 Jan 5 2019 znew -I: user script /srv/workspace/pbuilder/3813601/tmp/hooks/D02_print_environment finished + -rwxr-xr-x 1 root root 1168776 Apr 18 2019 bash + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bunzip2 + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzcat + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzcmp -> bzdiff + -rwxr-xr-x 1 root root 2227 Jul 11 2019 bzdiff + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzegrep -> bzgrep + -rwxr-xr-x 1 root root 4877 Jun 25 2019 bzexe + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzfgrep -> bzgrep + -rwxr-xr-x 1 root root 3641 Jul 11 2019 bzgrep + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzip2 + -rwxr-xr-x 1 root root 14328 Jul 11 2019 bzip2recover + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzless -> bzmore + -rwxr-xr-x 1 root root 1297 Jul 11 2019 bzmore + -rwxr-xr-x 1 root root 43744 Mar 1 2019 cat + -rwxr-xr-x 1 root root 64320 Mar 1 2019 chgrp + -rwxr-xr-x 1 root root 64288 Mar 1 2019 chmod + -rwxr-xr-x 1 root root 72512 Mar 1 2019 chown + -rwxr-xr-x 1 root root 146880 Mar 1 2019 cp + -rwxr-xr-x 1 root root 121464 Jan 18 2019 dash + -rwxr-xr-x 1 root root 109408 Mar 1 2019 date + -rwxr-xr-x 1 root root 76712 Mar 1 2019 dd + -rwxr-xr-x 1 root root 93744 Mar 1 2019 df + -rwxr-xr-x 1 root root 138856 Mar 1 2019 dir + -rwxr-xr-x 1 root root 84288 Jan 10 2019 dmesg + lrwxrwxrwx 1 root root 8 Sep 27 2018 dnsdomainname -> hostname + lrwxrwxrwx 1 root root 8 Sep 27 2018 domainname -> hostname + -rwxr-xr-x 1 root root 39520 Mar 1 2019 echo + -rwxr-xr-x 1 root root 28 Jan 8 2019 egrep + -rwxr-xr-x 1 root root 35424 Mar 1 2019 false + -rwxr-xr-x 1 root root 28 Jan 8 2019 fgrep + -rwxr-xr-x 1 root root 68880 Jan 10 2019 findmnt + -rwsr-xr-x 1 root root 34896 Apr 23 2020 fusermount + -rwxr-xr-x 1 root root 198976 Jan 8 2019 grep + -rwxr-xr-x 2 root root 2345 Jan 6 2019 gunzip + -rwxr-xr-x 1 root root 6375 Jan 6 2019 gzexe + -rwxr-xr-x 1 root root 98048 Jan 6 2019 gzip + -rwxr-xr-x 1 root root 26696 Sep 27 2018 hostname + -rwxr-xr-x 1 root root 68552 Mar 1 2019 ln + -rwxr-xr-x 1 root root 56760 Jul 27 2018 login + -rwxr-xr-x 1 root root 138856 Mar 1 2019 ls + -rwxr-xr-x 1 root root 108624 Jan 10 2019 lsblk + -rwxr-xr-x 1 root root 89088 Mar 1 2019 mkdir + -rwxr-xr-x 1 root root 68544 Mar 1 2019 mknod + -rwxr-xr-x 1 root root 43808 Mar 1 2019 mktemp + -rwxr-xr-x 1 root root 43008 Jan 10 2019 more + -rwsr-xr-x 1 root root 51280 Jan 10 2019 mount + -rwxr-xr-x 1 root root 14408 Jan 10 2019 mountpoint + -rwxr-xr-x 1 root root 138728 Mar 1 2019 mv + lrwxrwxrwx 1 root root 8 Sep 27 2018 nisdomainname -> hostname + lrwxrwxrwx 1 root root 14 Feb 15 2019 pidof -> /sbin/killall5 + -rwxr-xr-x 1 root root 39616 Mar 1 2019 pwd + lrwxrwxrwx 1 root root 4 Apr 18 2019 rbash -> bash + -rwxr-xr-x 1 root root 47776 Mar 1 2019 readlink + -rwxr-xr-x 1 root root 68416 Mar 1 2019 rm + -rwxr-xr-x 1 root root 47776 Mar 1 2019 rmdir + -rwxr-xr-x 1 root root 23312 Jan 22 2019 run-parts + -rwxr-xr-x 1 root root 122224 Dec 23 2018 sed + lrwxrwxrwx 1 root root 4 Dec 1 02:52 sh -> bash + lrwxrwxrwx 1 root root 4 Nov 8 11:58 sh.distrib -> dash + -rwxr-xr-x 1 root root 39552 Mar 1 2019 sleep + -rwxr-xr-x 1 root root 80672 Mar 1 2019 stty + -rwsr-xr-x 1 root root 63568 Jan 10 2019 su + -rwxr-xr-x 1 root root 35488 Mar 1 2019 sync + -rwxr-xr-x 1 root root 445560 Apr 24 2019 tar + -rwxr-xr-x 1 root root 14440 Jan 22 2019 tempfile + -rwxr-xr-x 1 root root 97152 Mar 1 2019 touch + -rwxr-xr-x 1 root root 35424 Mar 1 2019 true + -rwxr-xr-x 1 root root 14328 Apr 23 2020 ulockmgr_server + -rwsr-xr-x 1 root root 34888 Jan 10 2019 umount + -rwxr-xr-x 1 root root 39584 Mar 1 2019 uname + -rwxr-xr-x 2 root root 2345 Jan 6 2019 uncompress + -rwxr-xr-x 1 root root 138856 Mar 1 2019 vdir + -rwxr-xr-x 1 root root 34896 Jan 10 2019 wdctl + -rwxr-xr-x 1 root root 946 Jan 22 2019 which + lrwxrwxrwx 1 root root 8 Sep 27 2018 ypdomainname -> hostname + -rwxr-xr-x 1 root root 1983 Jan 6 2019 zcat + -rwxr-xr-x 1 root root 1677 Jan 6 2019 zcmp + -rwxr-xr-x 1 root root 5879 Jan 6 2019 zdiff + -rwxr-xr-x 1 root root 29 Jan 6 2019 zegrep + -rwxr-xr-x 1 root root 29 Jan 6 2019 zfgrep + -rwxr-xr-x 1 root root 2080 Jan 6 2019 zforce + -rwxr-xr-x 1 root root 7584 Jan 6 2019 zgrep + -rwxr-xr-x 1 root root 2205 Jan 6 2019 zless + -rwxr-xr-x 1 root root 1841 Jan 6 2019 zmore + -rwxr-xr-x 1 root root 4552 Jan 6 2019 znew +I: user script /srv/workspace/pbuilder/2042328/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -348,7 +382,7 @@ Get: 125 http://deb.debian.org/debian buster/main amd64 python3-setuptools all 40.8.0-1 [306 kB] Get: 126 http://deb.debian.org/debian buster/main amd64 sphinx-common all 1.8.4-1 [500 kB] Get: 127 http://deb.debian.org/debian buster/main amd64 python3-sphinx all 1.8.4-1 [481 kB] -Fetched 114 MB in 1s (83.8 MB/s) +Fetched 114 MB in 44s (2614 kB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libbsd0:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19195 files and directories currently installed.) @@ -914,7 +948,8 @@ fakeroot is already the newest version (1.23-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/chemps2-1.8.9/ && 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_1.8.9-1_source.changes +hostname: Name or service not known +I: Running cd /build/chemps2-1.8.9/ && 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_1.8.9-1_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.9-1 dpkg-buildpackage: info: source distribution unstable @@ -991,7 +1026,7 @@ debian/rules override_dh_auto_build make[1]: Entering directory '/build/chemps2-1.8.9' dh_auto_build -- VERBOSE=1 - cd obj-x86_64-linux-gnu && make -j16 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j15 "INSTALL=install --strip-program=true" VERBOSE=1 make[2]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/chemps2-1.8.9 -B/build/chemps2-1.8.9/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CMakeFiles /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CMakeFiles/progress.marks @@ -1006,37 +1041,37 @@ make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/build make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/chemps2-1.8.9/CheMPS2/CASSCFnewtonraphson.cpp -[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o +[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o +[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/chemps2-1.8.9/CheMPS2/CASPT2.cpp +[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o +[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /build/chemps2-1.8.9/CheMPS2/CASSCF.cpp cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /build/chemps2-1.8.9/CheMPS2/CASSCFdebug.cpp -[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o +[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o +[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/chemps2-1.8.9/CheMPS2/CASSCFnewtonraphson.cpp cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /build/chemps2-1.8.9/CheMPS2/CASSCFpt2.cpp cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /build/chemps2-1.8.9/CheMPS2/ConjugateGradient.cpp +[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/chemps2-1.8.9/CheMPS2/ConvergenceScheme.cpp cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Correlations.cpp +[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Cumulant.cpp +[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o +[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Davidson.cpp +[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o +[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DIIS.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Cumulant.cpp -[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/chemps2-1.8.9/CheMPS2/CASPT2.cpp cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRG.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGfock.cpp +[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGmpsio.cpp -[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGoperators.cpp +[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGfock.cpp +[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGoperators3RDM.cpp [ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGSCFindices.cpp @@ -1048,16 +1083,16 @@ cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGSCFoptions.cpp [ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGSCFrotations.cpp -[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o +[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGSCFwtilde.cpp +[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGSCFunitary.cpp -[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGSCFwtilde.cpp cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -c /build/chemps2-1.8.9/CheMPS2/DMRGtechnics.cpp -[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o +[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /build/chemps2-1.8.9/CheMPS2/EdmistonRuedenberg.cpp [ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Excitation.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /build/chemps2-1.8.9/CheMPS2/EdmistonRuedenberg.cpp [ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /build/chemps2-1.8.9/CheMPS2/FCI.cpp [ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o @@ -1083,8 +1118,8 @@ [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Irreps.cpp [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o -[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Molden.cpp +[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -c /build/chemps2-1.8.9/CheMPS2/PrintLicense.cpp [ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Problem.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Problem.cpp @@ -1111,47 +1146,47 @@ [ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -c /build/chemps2-1.8.9/CheMPS2/TensorQ.cpp [ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -c /build/chemps2-1.8.9/CheMPS2/TensorS0.cpp [ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -c /build/chemps2-1.8.9/CheMPS2/TensorS0.cpp cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -c /build/chemps2-1.8.9/CheMPS2/TensorS1.cpp [ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorT.cpp.o -c /build/chemps2-1.8.9/CheMPS2/TensorT.cpp -[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -[ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o +[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorX.cpp.o -c /build/chemps2-1.8.9/CheMPS2/TensorX.cpp +[ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /build/chemps2-1.8.9/CheMPS2/ThreeDM.cpp [ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /build/chemps2-1.8.9/CheMPS2/TwoDM.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Wigner.cpp -[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o +[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /build/chemps2-1.8.9/CheMPS2/TwoIndex.cpp +[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /build/chemps2-1.8.9/CheMPS2/Wigner.cpp make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' [ 65%] Built target chemps2-base make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/depend -make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/depend make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/CheMPS2 /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake --color= +make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/depend make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/CheMPS2 /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake --color= Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/depend.internal". -Scanning dependencies of target chemps2-shared Scanning dependencies of target chemps2-static make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build -make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". +Scanning dependencies of target chemps2-shared +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 66%] Linking CXX shared library libchemps2.so -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 -[ 67%] Linking CXX static library libchemps2.a +[ 66%] Linking CXX static library libchemps2.a cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake -/usr/bin/c++ -fPIC -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 CMakeFiles/chemps2-base.dir/CASPT2.cpp.o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o CMakeFiles/chemps2-base.dir/Correlations.cpp.o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o CMakeFiles/chemps2-base.dir/Davidson.cpp.o CMakeFiles/chemps2-base.dir/DIIS.cpp.o CMakeFiles/chemps2-base.dir/DMRG.cpp.o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o CMakeFiles/chemps2-base.dir/Excitation.cpp.o CMakeFiles/chemps2-base.dir/FCI.cpp.o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o CMakeFiles/chemps2-base.dir/Heff.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o CMakeFiles/chemps2-base.dir/Initialize.cpp.o CMakeFiles/chemps2-base.dir/Irreps.cpp.o CMakeFiles/chemps2-base.dir/Molden.cpp.o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o CMakeFiles/chemps2-base.dir/Problem.cpp.o CMakeFiles/chemps2-base.dir/Sobject.cpp.o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o CMakeFiles/chemps2-base.dir/TensorL.cpp.o CMakeFiles/chemps2-base.dir/TensorO.cpp.o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o CMakeFiles/chemps2-base.dir/TensorT.cpp.o CMakeFiles/chemps2-base.dir/TensorX.cpp.o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -Wl,-rpath,/usr/lib/x86_64-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm +[ 67%] Linking CXX shared library libchemps2.so +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-static.dir/link.txt --verbose=1 +/usr/bin/c++ -fPIC -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 CMakeFiles/chemps2-base.dir/CASPT2.cpp.o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o CMakeFiles/chemps2-base.dir/Correlations.cpp.o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o CMakeFiles/chemps2-base.dir/Davidson.cpp.o CMakeFiles/chemps2-base.dir/DIIS.cpp.o CMakeFiles/chemps2-base.dir/DMRG.cpp.o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o CMakeFiles/chemps2-base.dir/Excitation.cpp.o CMakeFiles/chemps2-base.dir/FCI.cpp.o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o CMakeFiles/chemps2-base.dir/Heff.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o CMakeFiles/chemps2-base.dir/Initialize.cpp.o CMakeFiles/chemps2-base.dir/Irreps.cpp.o CMakeFiles/chemps2-base.dir/Molden.cpp.o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o CMakeFiles/chemps2-base.dir/Problem.cpp.o CMakeFiles/chemps2-base.dir/Sobject.cpp.o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o CMakeFiles/chemps2-base.dir/TensorL.cpp.o CMakeFiles/chemps2-base.dir/TensorO.cpp.o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o CMakeFiles/chemps2-base.dir/TensorT.cpp.o CMakeFiles/chemps2-base.dir/TensorX.cpp.o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -Wl,-rpath,/usr/lib/x86_64-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -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/chemps2-1.8.9/obj-x86_64-linux-gnu' @@ -1163,240 +1198,240 @@ make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend -make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend -make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/CheMPS2 /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend +make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests 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'/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend +make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend +make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake --color= +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake --color= +make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake --color= +Scanning dependencies of target test5 +Scanning dependencies of target test11 +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". +Scanning dependencies of target test14 +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +Scanning dependencies of target test4 +Scanning dependencies of target test7 +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake --color= +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +Scanning dependencies of target chemps2-bin make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake --color= -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". +make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". +Scanning dependencies of target test2 Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". +make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +Scanning dependencies of target test8 +make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". -Scanning dependencies of target test7 -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' Scanning dependencies of target test12 -Scanning dependencies of target test5 -Scanning dependencies of target chemps2-bin -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build -Scanning dependencies of target test3 -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -Scanning dependencies of target test9 -Scanning dependencies of target test13 -Scanning dependencies of target test4 +[ 68%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". Scanning dependencies of target test1 +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test5.cpp +make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/depend.internal". make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -Scanning dependencies of target test11 -Scanning dependencies of target test2 -Scanning dependencies of target test14 +make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build Scanning dependencies of target test6 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -Scanning dependencies of target test8 -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build -make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build -make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build +make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build -make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build +Scanning dependencies of target test13 +make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build -make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build +Scanning dependencies of target test9 +[ 69%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/depend.internal". +make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build +[ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +Scanning dependencies of target test3 +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test14.cpp +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/chemps2-1.8.9/CheMPS2/executable.cpp make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build -Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/depend.internal". -make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build -make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build -make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build +[ 71%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build +[ 72%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test4.cpp +[ 73%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o +make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test6.cpp +[ 75%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test2.cpp +make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend +[ 76%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o +[ 77%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test7.cpp make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 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Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build -make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.9 /build/chemps2-1.8.9/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake --color= +[ 78%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o +[ 79%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test9.dir/tests/test9.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test9.cpp +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test1.cpp +[ 80%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test3.cpp +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/depend.internal". +Dependee "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/depend.internal". +[ 81%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o Scanning dependencies of target test10 +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test13.dir/tests/test13.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test13.cpp make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build -[ 68%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o -[ 69%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o -[ 71%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o -[ 71%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -[ 72%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test7.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test6.cpp -[ 73%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o -[ 76%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o -[ 76%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/chemps2-1.8.9/CheMPS2/executable.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test5.cpp -[ 78%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o -[ 78%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test4.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test11.dir/tests/test11.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test11.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test14.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test2.cpp -[ 79%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o +[ 82%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 80%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o -[ 81%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test1.cpp -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test9.dir/tests/test9.cpp.o -c /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests/tests/test9.cpp cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/build/chemps2-1.8.9/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test8.dir/tests/test8.cpp.o -c 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-Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm -[ 98%] Linking CXX executable test7 -cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -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 -Wl,-rpath,/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -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 -Wl,-rpath,/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm +[ 96%] Linking CXX executable test14 +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -Wl,-rpath,/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm +[ 97%] Linking CXX executable test2 +cd /build/chemps2-1.8.9/obj-x86_64-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/chemps2-1.8.9=. -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 -Wl,-rpath,/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 98%] Built target test4 -[ 98%] Built target test12 +[ 97%] Built target test12 +[ 98%] Linking CXX executable test1 +cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 98%] Built target test5 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -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 -Wl,-rpath,/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +[ 98%] Built target test4 +[ 98%] Built target test8 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 98%] Built target test14 [ 98%] Built target test6 -[ 98%] Built target test8 +[ 98%] Built target test3 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 98%] Built target test2 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +[ 98%] Built target test11 +[ 98%] Built target test5 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 98%] Built target test3 [ 98%] Built target test13 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 98%] Built target test1 -[ 98%] Built target test11 +[ 98%] Built target test9 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' [ 98%] Built target test10 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 98%] Built target test9 [100%] Linking CXX executable chemps2 cd /build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -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 -Wl,-rpath,/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm +[100%] Built target test14 +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.9=. -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 -Wl,-rpath,/build/chemps2-1.8.9/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm [100%] Built target test7 +[100%] Built target test2 +make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +[100%] Built target test1 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' [100%] Built target chemps2-bin make[3]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' @@ -1492,15 +1527,15 @@ cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /build/chemps2-1.8.9/obj-x86_64-linux-gnu Start 3: test3 -1/3 Test #3: test3 ............................ Passed 9.34 sec +1/3 Test #3: test3 ............................ Passed 280.34 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 22.32 sec +2/3 Test #5: test5 ............................ Passed 47.80 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 15.24 sec +3/3 Test #8: test8 ............................ Passed 477.06 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 46.90 sec +Total Test time (real) = 805.23 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-3.7:.. \ LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \ python3 test1.py @@ -1525,115 +1560,115 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 12 -Energy at sites (8, 9) is -99.8971736595527 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (7, 8) is -106.852699583671 - Stats: nIt(DAVIDSON) = 56 -Energy at sites (6, 7) is -106.888219878911 - Stats: nIt(DAVIDSON) = 62 -Energy at sites (5, 6) is -106.908225182768 - Stats: nIt(DAVIDSON) = 39 -Energy at sites (4, 5) is -107.63153746722 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (3, 4) is -107.647990095571 +Energy at sites (8, 9) is -98.2759854056273 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (7, 8) is -106.853253406266 + Stats: nIt(DAVIDSON) = 54 +Energy at sites (6, 7) is -106.888238558147 + Stats: nIt(DAVIDSON) = 69 +Energy at sites (5, 6) is -106.90648788192 + Stats: nIt(DAVIDSON) = 43 +Energy at sites (4, 5) is -107.634438029659 + Stats: nIt(DAVIDSON) = 29 +Energy at sites (3, 4) is -107.647971060716 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647990095571 +Energy at sites (2, 3) is -107.647971060716 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647990095571 +Energy at sites (1, 2) is -107.647971060716 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.640133 seconds -*** |--> S.join = 0.042633 seconds -*** |--> S.solve = 3.199951 seconds -*** |--> S.split = 0.146522 seconds -*** |--> Tensor update = 0.25076 seconds -*** |--> create = 0.016244 seconds -*** |--> destroy = 0.001693 seconds -*** |--> disk write = 0.011219 seconds -*** |--> disk read = 0.008369 seconds -*** |--> calc = 0.213198 seconds -*** Disk write bandwidth = 52.2292885447539 MB/s -*** Disk read bandwidth = 70.2526025524816 MB/s -*** Minimum energy = -107.647990095571 +*** Elapsed wall time = 13.031836 seconds +*** |--> S.join = 0.183316 seconds +*** |--> S.solve = 11.53129 seconds +*** |--> S.split = 0.45187 seconds +*** |--> Tensor update = 0.864814 seconds +*** |--> create = 0.033725 seconds +*** |--> destroy = 0.001757 seconds +*** |--> disk write = 0.014213 seconds +*** |--> disk read = 0.081279 seconds +*** |--> calc = 0.733769 seconds +*** Disk write bandwidth = 41.2270729742907 MB/s +*** Disk read bandwidth = 7.23365236729929 MB/s +*** Minimum energy = -107.647971060716 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.647990095571 +Energy at sites (0, 1) is -107.647971060716 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647990095571 +Energy at sites (1, 2) is -107.647971060716 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647990095571 +Energy at sites (2, 3) is -107.647971060716 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.647990095571 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.648012024187 +Energy at sites (3, 4) is -107.647971060716 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.647990857679 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250463816 +Energy at sites (5, 6) is -107.64825040985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250463816 +Energy at sites (6, 7) is -107.64825040985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250463816 +Energy at sites (7, 8) is -107.64825040985 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.060115 seconds -*** |--> S.join = 0.07293 seconds -*** |--> S.solve = 0.546247 seconds -*** |--> S.split = 0.157395 seconds -*** |--> Tensor update = 0.283284 seconds -*** |--> create = 0.016609 seconds -*** |--> destroy = 0.00178 seconds -*** |--> disk write = 0.011295 seconds -*** |--> disk read = 0.014212 seconds -*** |--> calc = 0.239358 seconds -*** Disk write bandwidth = 52.0534777124142 MB/s -*** Disk read bandwidth = 41.2299738378549 MB/s -*** Minimum energy = -107.648250463816 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250463816 +*** Elapsed wall time = 3.804371 seconds +*** |--> S.join = 0.197298 seconds +*** |--> S.solve = 2.143622 seconds +*** |--> S.split = 0.53024 seconds +*** |--> Tensor update = 0.932658 seconds +*** |--> create = 0.017497 seconds +*** |--> destroy = 0.001868 seconds +*** |--> disk write = 0.014128 seconds +*** |--> disk read = 0.096671 seconds +*** |--> calc = 0.802421 seconds +*** Disk write bandwidth = 41.6155174661466 MB/s +*** Disk read bandwidth = 6.06138747073676 MB/s +*** Minimum energy = -107.64825040985 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.64825040985 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250463816 +Energy at sites (8, 9) is -107.64825040985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250463816 +Energy at sites (7, 8) is -107.64825040985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250463816 +Energy at sites (6, 7) is -107.64825040985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250463816 +Energy at sites (5, 6) is -107.64825040985 Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.648250848595 +Energy at sites (4, 5) is -107.648250848086 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.648250972191 +Energy at sites (3, 4) is -107.648250972032 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972191 +Energy at sites (2, 3) is -107.648250972032 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972191 +Energy at sites (1, 2) is -107.648250972032 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.359499 seconds -*** |--> S.join = 0.040879 seconds -*** |--> S.solve = 0.150748 seconds -*** |--> S.split = 0.054533 seconds -*** |--> Tensor update = 0.113176 seconds -*** |--> create = 0.016604 seconds -*** |--> destroy = 0.001741 seconds -*** |--> disk write = 0.009833 seconds -*** |--> disk read = 0.008682 seconds -*** |--> calc = 0.076289 seconds -*** Disk write bandwidth = 59.5912120597573 MB/s -*** Disk read bandwidth = 67.7198837550932 MB/s -*** Minimum energy = -107.648250972191 +*** Elapsed wall time = 3.830356 seconds +*** |--> S.join = 0.208821 seconds +*** |--> S.solve = 1.956537 seconds +*** |--> S.split = 0.603716 seconds +*** |--> Tensor update = 1.06065 seconds +*** |--> create = 0.017744 seconds +*** |--> destroy = 0.00187 seconds +*** |--> disk write = 0.037101 seconds +*** |--> disk read = 0.110299 seconds +*** |--> calc = 0.89356 seconds +*** Disk write bandwidth = 15.79365483905 MB/s +*** Disk read bandwidth = 5.33045658402813 MB/s +*** Minimum energy = -107.648250972032 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250972191 +Energy at sites (0, 1) is -107.648250972032 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972191 +Energy at sites (1, 2) is -107.648250972032 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972191 +Energy at sites (2, 3) is -107.648250972032 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250972191 +Energy at sites (3, 4) is -107.648250972032 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.648250972328 +Energy at sites (4, 5) is -107.648250972126 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 @@ -1642,21 +1677,21 @@ Energy at sites (7, 8) is -107.648250973999 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.088136 seconds -*** |--> S.join = 0.010156 seconds -*** |--> S.solve = 0.026886 seconds -*** |--> S.split = 0.008331 seconds -*** |--> Tensor update = 0.042619 seconds -*** |--> create = 0.016924 seconds -*** |--> destroy = 0.001791 seconds -*** |--> disk write = 0.010161 seconds -*** |--> disk read = 0.008975 seconds -*** |--> calc = 0.004742 seconds -*** Disk write bandwidth = 57.8628118060938 MB/s -*** Disk read bandwidth = 65.2880655357765 MB/s +*** Elapsed wall time = 3.532854 seconds +*** |--> S.join = 0.206529 seconds +*** |--> S.solve = 1.6489 seconds +*** |--> S.split = 0.627821 seconds +*** |--> Tensor update = 1.048979 seconds +*** |--> create = 0.0300560000000001 seconds +*** |--> destroy = 0.001943 seconds +*** |--> disk write = 0.014891 seconds +*** |--> disk read = 0.061997 seconds +*** |--> calc = 0.940002 seconds +*** Disk write bandwidth = 39.4831798241702 MB/s +*** Disk read bandwidth = 9.45143133028362 MB/s *** Minimum energy = -107.648250973999 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.1018324143115e-07 +*** Energy difference with respect to previous leftright sweep = 5.6414944538119e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 @@ -1666,71 +1701,71 @@ *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 -Energy at sites (8, 9) is -107.648250973999 +Energy at sites (8, 9) is -107.648250974 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.648250974 +Energy at sites (7, 8) is -107.648250974001 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250974003 +Energy at sites (6, 7) is -107.648250974004 Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.648250974003 +Energy at sites (5, 6) is -107.648250974004 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974006 +Energy at sites (4, 5) is -107.648250974007 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.648250974014 +Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.185307 seconds -*** |--> S.join = 0.028276 seconds -*** |--> S.solve = 0.112061 seconds -*** |--> S.split = 0.002362 seconds -*** |--> Tensor update = 0.042452 seconds -*** |--> create = 0.01684 seconds -*** |--> destroy = 0.001781 seconds -*** |--> disk write = 0.010368 seconds -*** |--> disk read = 0.007951 seconds -*** |--> calc = 0.005491 seconds -*** Disk write bandwidth = 56.5162411442509 MB/s -*** Disk read bandwidth = 73.9459226212701 MB/s +*** Elapsed wall time = 6.383985 seconds +*** |--> S.join = 0.271525 seconds +*** |--> S.solve = 4.452728 seconds +*** |--> S.split = 0.640177 seconds +*** |--> Tensor update = 1.018848 seconds +*** |--> create = 0.0335960000000001 seconds +*** |--> destroy = 0.001887 seconds +*** |--> disk write = 0.014055 seconds +*** |--> disk read = 0.07603 seconds +*** |--> calc = 0.893186 seconds +*** Disk write bandwidth = 41.6905292197505 MB/s +*** Disk read bandwidth = 7.7330531469383 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250974013 +Energy at sites (0, 1) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250974013 +Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.648250974014 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.648250974013 +Energy at sites (4, 5) is -107.648250974013 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (5, 6) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250974014 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 = 0.200459 seconds -*** |--> S.join = 0.00922 seconds -*** |--> S.solve = 0.109708 seconds -*** |--> S.split = 0.011667 seconds -*** |--> Tensor update = 0.069707 seconds -*** |--> create = 0.017329 seconds -*** |--> destroy = 0.00174 seconds -*** |--> disk write = 0.010399 seconds -*** |--> disk read = 0.008194 seconds -*** |--> calc = 0.032016 seconds -*** Disk write bandwidth = 56.5385162767303 MB/s -*** Disk read bandwidth = 71.5109089801799 MB/s +*** Elapsed wall time = 4.600135 seconds +*** |--> S.join = 0.238784 seconds +*** |--> S.solve = 2.49636 seconds +*** |--> S.split = 0.703808 seconds +*** |--> Tensor update = 1.160357 seconds +*** |--> create = 0.017846 seconds +*** |--> destroy = 0.001863 seconds +*** |--> disk write = 0.014561 seconds +*** |--> disk read = 0.120639 seconds +*** |--> calc = 1.005353 seconds +*** Disk write bandwidth = 40.3779981293674 MB/s +*** Disk read bandwidth = 4.85713896984884 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.45803369377973e-11 +*** Energy difference with respect to previous leftright sweep = 1.4352963262354e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1745,53 +1780,53 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 - NOON of irrep Ag = [ 1.99999530444277 , 1.99487994117261 , 1.98267954075395 ]. - NOON of irrep B2g = [ 0.0748715522449654 ]. - NOON of irrep B3g = [ 0.0748715524293263 ]. - NOON of irrep B1u = [ 1.99999681839218 , 1.98658242712686 , 0.0188079711859396 ]. - NOON of irrep B2u = [ 1.93365744617801 ]. - NOON of irrep B3u = [ 1.93365744607337 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009427632103 , 0.0515866783613371 , 0.0764971083746559 , 0.257716818876619 , 0.25771681914489 , 8.47155300778458e-05 , 0.0462800403874032 , 0.100736303374349 , 0.241506019583926 , 0.241506019858302 ]. - Idistance(0) = 1.30939331287462 - Idistance(1) = 5.42403000072359 - Idistance(2) = 26.7355488351068 + NOON of irrep Ag = [ 1.99999530444297 , 1.99487994122663 , 1.98267954069552 ]. + NOON of irrep B2g = [ 0.0748715522114319 ]. + NOON of irrep B3g = [ 0.0748715523397836 ]. + NOON of irrep B1u = [ 1.99999681839219 , 1.98658242713921 , 0.0188079712419783 ]. + NOON of irrep B2u = [ 1.93365744617271 ]. + NOON of irrep B3u = [ 1.93365744613759 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009426248083 , 0.0515866774298741 , 0.0764971087477137 , 0.257716818806187 , 0.257716818987939 , 8.47155300684113e-05 , 0.0462800403902461 , 0.100736303548829 , 0.241506019602715 , 0.241506019724818 ]. + Idistance(0) = 1.30939331173681 + Idistance(1) = 5.4240299955619 + Idistance(2) = 26.7355488009871 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.773504 seconds -*** |--> MPS gauge change = 0.290433 seconds -*** |--> Diagram calc = 0.061962 seconds -*** |--> Tensor update = 0.420233 seconds -*** |--> create = 0.038011 seconds -*** |--> destroy = 0.00351 seconds -*** |--> disk write = 0.021907 seconds -*** |--> disk read = 0.01919 seconds -*** |--> calc = 0.337506 seconds -*** Disk write bandwidth = 54.349205813567 MB/s -*** Disk read bandwidth = 62.0441923792503 MB/s +*** Elapsed wall time = 5.126412 seconds +*** |--> MPS gauge change = 1.737131 seconds +*** |--> Diagram calc = 0.331049 seconds +*** |--> Tensor update = 3.056906 seconds +*** |--> create = 0.068105 seconds +*** |--> destroy = 0.005175 seconds +*** |--> disk write = 0.033827 seconds +*** |--> disk read = 0.292915 seconds +*** |--> calc = 2.656549 seconds +*** Disk write bandwidth = 35.1975656061079 MB/s +*** Disk read bandwidth = 4.06475616393088 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 = 0.04804 seconds -FCI::matvec : Wall time = 0.032142 seconds -FCI::matvec : Wall time = 0.080132 seconds -FCI::matvec : Wall time = 0.040831 seconds -FCI::matvec : Wall time = 1.024238 seconds -FCI::matvec : Wall time = 1.01231 seconds -FCI::matvec : Wall time = 0.048849 seconds -FCI::matvec : Wall time = 0.047863 seconds -FCI::matvec : Wall time = 0.076015 seconds -FCI::matvec : Wall time = 0.2193 seconds -FCI::matvec : Wall time = 0.02762 seconds -FCI::matvec : Wall time = 0.047766 seconds -FCI::matvec : Wall time = 0.03191 seconds -FCI::matvec : Wall time = 0.032764 seconds -FCI::matvec : Wall time = 0.035819 seconds -FCI::matvec : Wall time = 0.035265 seconds -FCI::matvec : Wall time = 0.049425 seconds -FCI::matvec : Wall time = 0.065515 seconds +FCI::matvec : Wall time = 73.328041 seconds +FCI::matvec : Wall time = 87.115725 seconds +FCI::matvec : Wall time = 72.355757 seconds +FCI::matvec : Wall time = 61.588669 seconds +FCI::matvec : Wall time = 47.654918 seconds +FCI::matvec : Wall time = 44.939673 seconds +FCI::matvec : Wall time = 0.307329 seconds +FCI::matvec : Wall time = 51.915695 seconds +FCI::matvec : Wall time = 53.519625 seconds +FCI::matvec : Wall time = 51.007911 seconds +FCI::matvec : Wall time = 39.412154 seconds +FCI::matvec : Wall time = 27.955299 seconds +FCI::matvec : Wall time = 0.015516 seconds +FCI::matvec : Wall time = 0.014909 seconds +FCI::matvec : Wall time = 0.014895 seconds +FCI::matvec : Wall time = 0.014961 seconds +FCI::matvec : Wall time = 0.015 seconds +FCI::matvec : Wall time = 1.92357 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 -FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -7.16007212224399e-19 and intended S(S+1) = 0 +FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -2.26410949560649e-18 and intended S(S+1) = 0 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry @@ -1811,177 +1846,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 11 -Energy at sites (8, 9) is -103.626248285483 - Stats: nIt(DAVIDSON) = 29 -Energy at sites (7, 8) is -106.335975287192 - Stats: nIt(DAVIDSON) = 42 -Energy at sites (6, 7) is -106.601426624066 - Stats: nIt(DAVIDSON) = 59 -Energy at sites (5, 6) is -107.317967893493 - Stats: nIt(DAVIDSON) = 48 -Energy at sites (4, 5) is -107.325596447485 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -103.291785703085 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (7, 8) is -106.331871136412 + Stats: nIt(DAVIDSON) = 43 +Energy at sites (6, 7) is -106.377554145232 + Stats: nIt(DAVIDSON) = 61 +Energy at sites (5, 6) is -107.317920915256 + Stats: nIt(DAVIDSON) = 46 +Energy at sites (4, 5) is -107.325746137398 Stats: nIt(DAVIDSON) = 23 -Energy at sites (3, 4) is -107.328763173308 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.3287648421 +Energy at sites (3, 4) is -107.328763824115 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -107.328765139398 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.3287648421 +Energy at sites (1, 2) is -107.328765139398 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.430379 seconds -*** |--> S.join = 0.039335 seconds -*** |--> S.solve = 2.21298 seconds -*** |--> S.split = 0.050232 seconds -*** |--> Tensor update = 0.127605 seconds -*** |--> create = 0.019141 seconds -*** |--> destroy = 0.00205 seconds -*** |--> disk write = 0.011364 seconds -*** |--> disk read = 0.009546 seconds -*** |--> calc = 0.085477 seconds -*** Disk write bandwidth = 74.3422865741734 MB/s -*** Disk read bandwidth = 88.1208655171341 MB/s -*** Minimum energy = -107.3287648421 +*** Elapsed wall time = 17.736077 seconds +*** |--> S.join = 0.194588 seconds +*** |--> S.solve = 10.275247 seconds +*** |--> S.split = 0.647209 seconds +*** |--> Tensor update = 6.618612 seconds +*** |--> create = 0.019331 seconds +*** |--> destroy = 0.002093 seconds +*** |--> disk write = 6.045631 seconds +*** |--> disk read = 0.046448 seconds +*** |--> calc = 0.505046 seconds +*** Disk write bandwidth = 0.139741533121837 MB/s +*** Disk read bandwidth = 18.110613637327 MB/s +*** Minimum energy = -107.328765139398 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.3287648421 +Energy at sites (0, 1) is -107.328765139398 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.3287648421 +Energy at sites (1, 2) is -107.328765139398 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.3287648421 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.328764844131 +Energy at sites (2, 3) is -107.328765139398 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.328765140593 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328767037122 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.328768891681 +Energy at sites (4, 5) is -107.328767306076 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -107.328768892707 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891681 +Energy at sites (6, 7) is -107.328768892707 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891681 +Energy at sites (7, 8) is -107.328768892707 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.999179 seconds -*** |--> S.join = 0.041367 seconds -*** |--> S.solve = 0.600461 seconds -*** |--> S.split = 0.107449 seconds -*** |--> Tensor update = 0.249734 seconds -*** |--> create = 0.019183 seconds -*** |--> destroy = 0.00184 seconds -*** |--> disk write = 0.010624 seconds -*** |--> disk read = 0.008317 seconds -*** |--> calc = 0.209743 seconds -*** Disk write bandwidth = 79.1793846222292 MB/s -*** Disk read bandwidth = 101.578182593352 MB/s -*** Minimum energy = -107.328768891681 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768891681 +*** Elapsed wall time = 2.530429 seconds +*** |--> S.join = 0.109384 seconds +*** |--> S.solve = 1.72423 seconds +*** |--> S.split = 0.257469 seconds +*** |--> Tensor update = 0.438967 seconds +*** |--> create = 0.020534 seconds +*** |--> destroy = 0.002047 seconds +*** |--> disk write = 0.012987 seconds +*** |--> disk read = 0.018759 seconds +*** |--> calc = 0.384585 seconds +*** Disk write bandwidth = 64.7726020040473 MB/s +*** Disk read bandwidth = 45.0357558840507 MB/s +*** Minimum energy = -107.328768892707 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.328768892707 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768891681 +Energy at sites (8, 9) is -107.328768892707 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891681 +Energy at sites (7, 8) is -107.328768892707 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891681 +Energy at sites (6, 7) is -107.328768892707 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768891681 +Energy at sites (5, 6) is -107.328768892706 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.32876889201 +Energy at sites (4, 5) is -107.328768893 Stats: nIt(DAVIDSON) = 3 -Energy at sites (3, 4) is -107.328768897982 +Energy at sites (3, 4) is -107.328768897987 Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.328768897995 +Energy at sites (2, 3) is -107.328768898 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897995 +Energy at sites (1, 2) is -107.328768898 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.133932 seconds -*** |--> S.join = 0.064416 seconds -*** |--> S.solve = 0.551882 seconds -*** |--> S.split = 0.192309 seconds -*** |--> Tensor update = 0.325098 seconds -*** |--> create = 0.018989 seconds -*** |--> destroy = 0.001946 seconds -*** |--> disk write = 0.011701 seconds -*** |--> disk read = 0.008552 seconds -*** |--> calc = 0.283871 seconds -*** Disk write bandwidth = 72.2011575616534 MB/s -*** Disk read bandwidth = 98.3631644324793 MB/s -*** Minimum energy = -107.328768897995 +*** Elapsed wall time = 3.05708 seconds +*** |--> S.join = 0.0680980000000001 seconds +*** |--> S.solve = 0.733216 seconds +*** |--> S.split = 0.25311 seconds +*** |--> Tensor update = 2.002238 seconds +*** |--> create = 0.031952 seconds +*** |--> destroy = 0.002084 seconds +*** |--> disk write = 1.601445 seconds +*** |--> disk read = 0.022494 seconds +*** |--> calc = 0.344209 seconds +*** Disk write bandwidth = 0.527539656141114 MB/s +*** Disk read bandwidth = 37.3967183349588 MB/s +*** Minimum energy = -107.328768898 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897995 +Energy at sites (0, 1) is -107.328768898 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897995 +Energy at sites (1, 2) is -107.328768898 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897995 +Energy at sites (2, 3) is -107.328768898 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897995 +Energy at sites (3, 4) is -107.328768898 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.328768898023 +Energy at sites (4, 5) is -107.328768898022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768898023 +Energy at sites (5, 6) is -107.328768898022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898023 +Energy at sites (6, 7) is -107.328768898022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768898023 +Energy at sites (7, 8) is -107.328768898022 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.680031 seconds -*** |--> S.join = 0.060025 seconds -*** |--> S.solve = 0.284831 seconds -*** |--> S.split = 0.098046 seconds -*** |--> Tensor update = 0.236922 seconds -*** |--> create = 0.027438 seconds -*** |--> destroy = 0.002067 seconds -*** |--> disk write = 0.027134 seconds -*** |--> disk read = 0.009064 seconds -*** |--> calc = 0.171186 seconds -*** Disk write bandwidth = 31.0017609724538 MB/s -*** Disk read bandwidth = 93.2067238116622 MB/s -*** Minimum energy = -107.328768898023 +*** Elapsed wall time = 1.163973 seconds +*** |--> S.join = 0.060574 seconds +*** |--> S.solve = 0.553782 seconds +*** |--> S.split = 0.210243 seconds +*** |--> Tensor update = 0.338911 seconds +*** |--> create = 0.019412 seconds +*** |--> destroy = 0.002186 seconds +*** |--> disk write = 0.014102 seconds +*** |--> disk read = 0.011274 seconds +*** |--> calc = 0.291883 seconds +*** Disk write bandwidth = 59.6512396983806 MB/s +*** Disk read bandwidth = 74.9357587927006 MB/s +*** Minimum energy = -107.328768898022 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.3415086515306e-09 +*** Energy difference with respect to previous leftright sweep = 5.31576915818732e-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 = -107.328768898023 -*** Minimum energy encountered during the last sweep = -107.328768898023 +*** Minimum energy encountered during all instructions = -107.328768898022 +*** Minimum energy encountered during the last sweep = -107.328768898022 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.328768898024 +Energy at sites (8, 9) is -107.328768898023 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.328768898028 - Stats: nIt(DAVIDSON) = 14 + Stats: nIt(DAVIDSON) = 13 Energy at sites (6, 7) is -107.328768898032 - Stats: nIt(DAVIDSON) = 12 + Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.328768898032 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.328768898032 Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -107.328768898032 - Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -107.328768898033 + Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.647789 seconds -*** |--> S.join = 0.065051 seconds -*** |--> S.solve = 1.254256 seconds -*** |--> S.split = 0.081705 seconds -*** |--> Tensor update = 0.246579 seconds -*** |--> create = 0.019426 seconds -*** |--> destroy = 0.001813 seconds -*** |--> disk write = 0.011157 seconds -*** |--> disk read = 0.024792 seconds -*** |--> calc = 0.18936 seconds -*** Disk write bandwidth = 75.721586862858 MB/s -*** Disk read bandwidth = 33.9303719839691 MB/s +*** Elapsed wall time = 3.671626 seconds +*** |--> S.join = 0.135347 seconds +*** |--> S.solve = 2.608748 seconds +*** |--> S.split = 0.40206 seconds +*** |--> Tensor update = 0.525013 seconds +*** |--> create = 0.019136 seconds +*** |--> destroy = 0.002065 seconds +*** |--> disk write = 0.012908 seconds +*** |--> disk read = 0.029809 seconds +*** |--> calc = 0.461032 seconds +*** Disk write bandwidth = 65.4497787905877 MB/s +*** Disk read bandwidth = 28.2197249899883 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -1991,7 +2026,7 @@ Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328768898033 @@ -2003,21 +2038,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.211157 seconds -*** |--> S.join = 0.022905 seconds -*** |--> S.solve = 0.106366 seconds -*** |--> S.split = 0.014355 seconds -*** |--> Tensor update = 0.067375 seconds -*** |--> create = 0.019345 seconds -*** |--> destroy = 0.001814 seconds -*** |--> disk write = 0.010387 seconds -*** |--> disk read = 0.008399 seconds -*** |--> calc = 0.027404 seconds -*** Disk write bandwidth = 80.9860192766499 MB/s -*** Disk read bandwidth = 100.586467987725 MB/s +*** Elapsed wall time = 7.452262 seconds +*** |--> S.join = 0.150114 seconds +*** |--> S.solve = 2.131971 seconds +*** |--> S.split = 0.491449 seconds +*** |--> Tensor update = 4.678257 seconds +*** |--> create = 0.041471 seconds +*** |--> destroy = 0.002138 seconds +*** |--> disk write = 3.918171 seconds +*** |--> disk read = 0.075129 seconds +*** |--> calc = 0.64128 seconds +*** Disk write bandwidth = 0.214692462944206 MB/s +*** Disk read bandwidth = 11.2450018585221 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 9.60653778747655e-12 +*** Energy difference with respect to previous leftright sweep = 1.02318153949454e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2031,51 +2066,51 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 - NOON of irrep Ag = [ 1.99999672241074 , 1.99571463015907 , 1.98497373602993 ]. - NOON of irrep B2g = [ 0.538989905096415 ]. - NOON of irrep B3g = [ 0.538989904980128 ]. - NOON of irrep B1u = [ 1.99999702947247 , 1.99149890562482 , 0.0194690668451049 ]. - NOON of irrep B2u = [ 1.46518504974905 ]. - NOON of irrep B3u = [ 1.46518504963227 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00010586273993083 , 0.05870893738508 , 0.0554792810459671 , 1.11957630006544 , 1.11957630000187 , 8.52797482650411e-05 , 0.0421718621411432 , 0.105000352917259 , 1.11261995849416 , 1.11261995855839 ]. - Idistance(0) = 4.60188108192849 - Idistance(1) = 17.7825010796861 - Idistance(2) = 85.6947708208229 + Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 + NOON of irrep Ag = [ 1.99999672241069 , 1.99571463015253 , 1.98497373603891 ]. + NOON of irrep B2g = [ 0.538989905114856 ]. + NOON of irrep B3g = [ 0.538989904963069 ]. + NOON of irrep B1u = [ 1.99999702947247 , 1.99149890562594 , 0.0194690668415983 ]. + NOON of irrep B2u = [ 1.46518504976647 ]. + NOON of irrep B3u = [ 1.46518504961347 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862740320554 , 0.0587089373950517 , 0.0554792810102824 , 1.11957630007462 , 1.11957629999393 , 8.52797482451694e-05 , 0.0421718621341838 , 0.105000352907477 , 1.11261995848573 , 1.11261995856811 ]. + Idistance(0) = 4.60188108190305 + Idistance(1) = 17.78250107975 + Idistance(2) = 85.6947708217302 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.915074 seconds -*** |--> MPS gauge change = 0.326938 seconds -*** |--> Diagram calc = 0.043325 seconds -*** |--> Tensor update = 0.543989 seconds -*** |--> create = 0.044718 seconds -*** |--> destroy = 0.003875 seconds -*** |--> disk write = 0.023143 seconds -*** |--> disk read = 0.020352 seconds -*** |--> calc = 0.451775 seconds -*** Disk write bandwidth = 74.0156432079557 MB/s -*** Disk read bandwidth = 84.1658820146285 MB/s +*** Elapsed wall time = 5.23028 seconds +*** |--> MPS gauge change = 0.590998 seconds +*** |--> Diagram calc = 0.106941 seconds +*** |--> Tensor update = 4.531454 seconds +*** |--> create = 0.04576 seconds +*** |--> destroy = 0.004987 seconds +*** |--> disk write = 3.610792 seconds +*** |--> disk read = 0.041734 seconds +*** |--> calc = 0.827967 seconds +*** Disk write bandwidth = 0.47439565357454 MB/s +*** Disk read bandwidth = 41.0443291024517 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 = 2.178386 seconds -FCI::matvec : Wall time = 0.068044 seconds -FCI::matvec : Wall time = 0.057483 seconds -FCI::matvec : Wall time = 0.019358 seconds -FCI::matvec : Wall time = 0.042527 seconds -FCI::matvec : Wall time = 0.117321 seconds -FCI::matvec : Wall time = 0.138754 seconds -FCI::matvec : Wall time = 0.057489 seconds -FCI::matvec : Wall time = 0.044418 seconds -FCI::matvec : Wall time = 0.037454 seconds -FCI::matvec : Wall time = 0.033303 seconds -FCI::matvec : Wall time = 0.059385 seconds -FCI::matvec : Wall time = 0.026888 seconds -FCI::matvec : Wall time = 0.07908 seconds -FCI::matvec : Wall time = 0.032907 seconds -FCI::matvec : Wall time = 0.118331 seconds -FCI::matvec : Wall time = 0.021632 seconds +FCI::matvec : Wall time = 17.808188 seconds +FCI::matvec : Wall time = 0.036019 seconds +FCI::matvec : Wall time = 11.841688 seconds +FCI::matvec : Wall time = 29.852047 seconds +FCI::matvec : Wall time = 0.01876 seconds +FCI::matvec : Wall time = 18.020927 seconds +FCI::matvec : Wall time = 39.067756 seconds +FCI::matvec : Wall time = 39.967599 seconds +FCI::matvec : Wall time = 44.732213 seconds +FCI::matvec : Wall time = 76.179261 seconds +FCI::matvec : Wall time = 61.424517 seconds +FCI::matvec : Wall time = 62.027032 seconds +FCI::matvec : Wall time = 59.247503 seconds +FCI::matvec : Wall time = 50.543582 seconds +FCI::matvec : Wall time = 48.343644 seconds +FCI::matvec : Wall time = 58.107559 seconds +FCI::matvec : Wall time = 27.57443 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898033 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -2097,177 +2132,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 16 -Energy at sites (8, 9) is -104.282604457798 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (7, 8) is -106.985010797794 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (8, 9) is -104.15282818756 Stats: nIt(DAVIDSON) = 20 -Energy at sites (6, 7) is -106.994538504054 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (5, 6) is -106.994972199438 +Energy at sites (7, 8) is -106.983667999523 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (6, 7) is -106.994537070849 + Stats: nIt(DAVIDSON) = 22 +Energy at sites (5, 6) is -106.996365863487 Stats: nIt(DAVIDSON) = 20 -Energy at sites (4, 5) is -106.997132544371 - Stats: nIt(DAVIDSON) = 23 -Energy at sites (3, 4) is -106.999454959526 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (2, 3) is -107.007875356939 +Energy at sites (4, 5) is -106.997095796698 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (3, 4) is -106.999528103817 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (2, 3) is -107.007877935391 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007875356939 +Energy at sites (1, 2) is -107.007877935392 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.688126 seconds -*** |--> S.join = 0.065689 seconds -*** |--> S.solve = 2.206228 seconds -*** |--> S.split = 0.148584 seconds -*** |--> Tensor update = 0.267395 seconds -*** |--> create = 0.01638 seconds -*** |--> destroy = 0.001804 seconds -*** |--> disk write = 0.009944 seconds -*** |--> disk read = 0.008185 seconds -*** |--> calc = 0.231056 seconds -*** Disk write bandwidth = 19.6389392413924 MB/s -*** Disk read bandwidth = 23.7270907505154 MB/s -*** Minimum energy = -107.007875356939 +*** Elapsed wall time = 1.528655 seconds +*** |--> S.join = 0.041777 seconds +*** |--> S.solve = 1.166406 seconds +*** |--> S.split = 0.118306 seconds +*** |--> Tensor update = 0.201864 seconds +*** |--> create = 0.016166 seconds +*** |--> destroy = 0.002145 seconds +*** |--> disk write = 0.011965 seconds +*** |--> disk read = 0.013179 seconds +*** |--> calc = 0.158369 seconds +*** Disk write bandwidth = 16.3217393912584 MB/s +*** Disk read bandwidth = 14.7360374681667 MB/s +*** Minimum energy = -107.007877935392 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007875356939 +Energy at sites (0, 1) is -107.007877935391 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007875356939 +Energy at sites (1, 2) is -107.007877935392 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007875356939 +Energy at sites (2, 3) is -107.007877935391 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007875778652 +Energy at sites (3, 4) is -107.007878405568 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -107.007880719703 Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -107.007879719323 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -107.007920315947 +Energy at sites (5, 6) is -107.007920298416 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.007920316152 +Energy at sites (6, 7) is -107.007920298575 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920316152 +Energy at sites (7, 8) is -107.007920298575 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.102502 seconds -*** |--> S.join = 0.048528 seconds -*** |--> S.solve = 0.77955 seconds -*** |--> S.split = 0.096755 seconds -*** |--> Tensor update = 0.177485 seconds -*** |--> create = 0.016357 seconds -*** |--> destroy = 0.00192 seconds -*** |--> disk write = 0.010268 seconds -*** |--> disk read = 0.00853 seconds -*** |--> calc = 0.14038 seconds -*** Disk write bandwidth = 18.9137356635147 MB/s -*** Disk read bandwidth = 22.8944445271285 MB/s -*** Minimum energy = -107.007920316152 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920316152 +*** Elapsed wall time = 2.776534 seconds +*** |--> S.join = 0.152145 seconds +*** |--> S.solve = 1.62626 seconds +*** |--> S.split = 0.341713 seconds +*** |--> Tensor update = 0.655934 seconds +*** |--> create = 0.016035 seconds +*** |--> destroy = 0.001963 seconds +*** |--> disk write = 0.021312 seconds +*** |--> disk read = 0.057212 seconds +*** |--> calc = 0.559348 seconds +*** Disk write bandwidth = 9.11252992647188 MB/s +*** Disk read bandwidth = 3.4134379468714 MB/s +*** Minimum energy = -107.007920298575 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.007920298575 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920316152 +Energy at sites (8, 9) is -107.007920298575 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920316152 +Energy at sites (7, 8) is -107.007920298575 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920316152 +Energy at sites (6, 7) is -107.007920298575 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.007920316152 +Energy at sites (5, 6) is -107.007920298575 Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -107.007920342204 +Energy at sites (4, 5) is -107.007920331694 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.007920404372 +Energy at sites (3, 4) is -107.00792037765 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.007920596615 +Energy at sites (2, 3) is -107.00792059619 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596615 +Energy at sites (1, 2) is -107.00792059619 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.174839 seconds -*** |--> S.join = 0.038308 seconds -*** |--> S.solve = 0.083958 seconds -*** |--> S.split = 0.001673 seconds -*** |--> Tensor update = 0.050708 seconds -*** |--> create = 0.015763 seconds -*** |--> destroy = 0.002052 seconds -*** |--> disk write = 0.010381 seconds -*** |--> disk read = 0.008893 seconds -*** |--> calc = 0.013586 seconds -*** Disk write bandwidth = 18.8122157611411 MB/s -*** Disk read bandwidth = 21.8381016297052 MB/s -*** Minimum energy = -107.007920596615 +*** Elapsed wall time = 3.251428 seconds +*** |--> S.join = 0.193063 seconds +*** |--> S.solve = 1.672455 seconds +*** |--> S.split = 0.523617 seconds +*** |--> Tensor update = 0.861711 seconds +*** |--> create = 0.016017 seconds +*** |--> destroy = 0.001991 seconds +*** |--> disk write = 0.013245 seconds +*** |--> disk read = 0.075909 seconds +*** |--> calc = 0.754465 seconds +*** Disk write bandwidth = 14.7444025531451 MB/s +*** Disk read bandwidth = 2.55840859177395 MB/s +*** Minimum energy = -107.00792059619 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596615 +Energy at sites (0, 1) is -107.00792059619 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596615 +Energy at sites (1, 2) is -107.00792059619 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596615 +Energy at sites (2, 3) is -107.00792059619 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.007920596732 +Energy at sites (3, 4) is -107.007920596324 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920596775 +Energy at sites (4, 5) is -107.007920596356 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.007920599385 +Energy at sites (5, 6) is -107.00792059938 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920599385 +Energy at sites (6, 7) is -107.00792059938 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920599385 +Energy at sites (7, 8) is -107.00792059938 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.176638 seconds -*** |--> S.join = 0.038057 seconds -*** |--> S.solve = 0.070478 seconds -*** |--> S.split = 0.001569 seconds -*** |--> Tensor update = 0.066386 seconds -*** |--> create = 0.01706 seconds -*** |--> destroy = 0.001971 seconds -*** |--> disk write = 0.009464 seconds -*** |--> disk read = 0.008396 seconds -*** |--> calc = 0.02947 seconds -*** Disk write bandwidth = 20.5205238580905 MB/s -*** Disk read bandwidth = 23.2598394254891 MB/s -*** Minimum energy = -107.007920599385 +*** Elapsed wall time = 3.032016 seconds +*** |--> S.join = 0.182677 seconds +*** |--> S.solve = 1.394135 seconds +*** |--> S.split = 0.575172 seconds +*** |--> Tensor update = 0.87944 seconds +*** |--> create = 0.0164310000000001 seconds +*** |--> destroy = 0.00206 seconds +*** |--> disk write = 0.012842 seconds +*** |--> disk read = 0.051567 seconds +*** |--> calc = 0.796468 seconds +*** Disk write bandwidth = 15.1227408342134 MB/s +*** Disk read bandwidth = 3.7871043849052 MB/s +*** Minimum energy = -107.00792059938 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.83232992615012e-07 +*** Energy difference with respect to previous leftright sweep = 3.0080568080848e-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 = -107.007920599385 -*** Minimum energy encountered during the last sweep = -107.007920599385 +*** Minimum energy encountered during all instructions = -107.00792059938 +*** Minimum energy encountered during the last sweep = -107.00792059938 *** 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 -107.007920599384 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599392 +Energy at sites (7, 8) is -107.007920599387 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.007920599396 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.007920599396 +Energy at sites (6, 7) is -107.007920599391 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.007920599392 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.007920599397 +Energy at sites (4, 5) is -107.007920599392 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599398 +Energy at sites (3, 4) is -107.007920599393 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.285853 seconds -*** |--> S.join = 0.042988 seconds -*** |--> S.solve = 0.125532 seconds -*** |--> S.split = 0.00168 seconds -*** |--> Tensor update = 0.115491 seconds -*** |--> create = 0.032236 seconds -*** |--> destroy = 0.001992 seconds -*** |--> disk write = 0.018163 seconds -*** |--> disk read = 0.008073 seconds -*** |--> calc = 0.054993 seconds -*** Disk write bandwidth = 10.7520570289273 MB/s -*** Disk read bandwidth = 24.0562662941866 MB/s +*** Elapsed wall time = 6.284562 seconds +*** |--> S.join = 0.172004 seconds +*** |--> S.solve = 4.675299 seconds +*** |--> S.split = 0.595006 seconds +*** |--> Tensor update = 0.841642 seconds +*** |--> create = 0.016342 seconds +*** |--> destroy = 0.010241 seconds +*** |--> disk write = 0.014092 seconds +*** |--> disk read = 0.064488 seconds +*** |--> calc = 0.724326 seconds +*** Disk write bandwidth = 13.8581898819476 MB/s +*** Disk read bandwidth = 3.01150970402197 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2277,9 +2312,9 @@ Energy at sites (1, 2) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920599438 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 @@ -2289,21 +2324,21 @@ Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.392047 seconds -*** |--> S.join = 0.060307 seconds -*** |--> S.solve = 0.960003 seconds -*** |--> S.split = 0.116638 seconds -*** |--> Tensor update = 0.254897 seconds -*** |--> create = 0.02433 seconds -*** |--> destroy = 0.001959 seconds -*** |--> disk write = 0.009963 seconds -*** |--> disk read = 0.008165 seconds -*** |--> calc = 0.21045 seconds -*** Disk write bandwidth = 19.4927469429859 MB/s -*** Disk read bandwidth = 23.9178948948446 MB/s +*** Elapsed wall time = 5.060401 seconds +*** |--> S.join = 0.177941 seconds +*** |--> S.solve = 3.467269 seconds +*** |--> S.split = 0.519755 seconds +*** |--> Tensor update = 0.894812 seconds +*** |--> create = 0.016726 seconds +*** |--> destroy = 0.002319 seconds +*** |--> disk write = 0.01536 seconds +*** |--> disk read = 0.08278 seconds +*** |--> calc = 0.777548 seconds +*** Disk write bandwidth = 12.6436352729797 MB/s +*** Disk read bandwidth = 2.35914003160674 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.38591393706156e-11 +*** Energy difference with respect to previous leftright sweep = 5.8463456298341e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2318,45 +2353,45 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 - NOON of irrep Ag = [ 1.99999761728431 , 1.99817458718975 , 1.9909952963519 ]. - NOON of irrep B2g = [ 0.999157310926054 ]. - NOON of irrep B3g = [ 0.999157311021188 ]. - NOON of irrep B1u = [ 1.99999763398162 , 1.99356772577553 , 0.0151843202344185 ]. - NOON of irrep B2u = [ 1.00188409855833 ]. - NOON of irrep B3u = [ 1.00188409867691 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.8562501597125e-05 , 0.0439795131960732 , 0.0191227037963517 , 0.710073263615464 , 0.710073262845964 , 0.000114194275454045 , 0.050198827628792 , 0.0847680564941411 , 0.709393186050582 , 0.709393186784246 ]. - Idistance(0) = 1.96740723937084 - Idistance(1) = 7.2468297656491 - Idistance(2) = 34.6048709974551 + NOON of irrep Ag = [ 1.99999761728428 , 1.99817458740964 , 1.99099529623771 ]. + NOON of irrep B2g = [ 0.999157311030934 ]. + NOON of irrep B3g = [ 0.999157310918421 ]. + NOON of irrep B1u = [ 1.99999763398162 , 1.99356772573867 , 0.0151843201630268 ]. + NOON of irrep B2u = [ 1.00188409868965 ]. + NOON of irrep B3u = [ 1.00188409854604 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85625018095842e-05 , 0.0439795140283641 , 0.0191227032002002 , 0.710073262786264 , 0.710073263728839 , 0.000114194275502844 , 0.0501988276649776 , 0.0847680562216793 , 0.709393186894758 , 0.709393185995929 ]. + Idistance(0) = 1.96740723892472 + Idistance(1) = 7.24682975998874 + Idistance(2) = 34.6048709679554 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.366546 seconds -*** |--> MPS gauge change = 0.140239 seconds -*** |--> Diagram calc = 0.035084 seconds -*** |--> Tensor update = 0.190408 seconds -*** |--> create = 0.035362 seconds -*** |--> destroy = 0.003921 seconds -*** |--> disk write = 0.021873 seconds -*** |--> disk read = 0.019052 seconds -*** |--> calc = 0.11008 seconds -*** Disk write bandwidth = 18.7081139159509 MB/s -*** Disk read bandwidth = 21.4781952384838 MB/s +*** Elapsed wall time = 3.631493 seconds +*** |--> MPS gauge change = 1.268607 seconds +*** |--> Diagram calc = 0.303979 seconds +*** |--> Tensor update = 2.057875 seconds +*** |--> create = 0.036923 seconds +*** |--> destroy = 0.005879 seconds +*** |--> disk write = 0.04681 seconds +*** |--> disk read = 0.186761 seconds +*** |--> calc = 1.781203 seconds +*** Disk write bandwidth = 8.74177687852155 MB/s +*** Disk read bandwidth = 2.19104939298673 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 = 4.040186 seconds -FCI::matvec : Wall time = 0.029343 seconds -FCI::matvec : Wall time = 0.052388 seconds -FCI::matvec : Wall time = 0.020569 seconds -FCI::matvec : Wall time = 1.352496 seconds -FCI::matvec : Wall time = 0.018236 seconds -FCI::matvec : Wall time = 0.018083 seconds -FCI::matvec : Wall time = 0.033612 seconds -FCI::matvec : Wall time = 0.017813 seconds -FCI::matvec : Wall time = 0.022912 seconds -FCI::matvec : Wall time = 0.041994 seconds -FCI::matvec : Wall time = 0.019661 seconds +FCI::matvec : Wall time = 40.183996 seconds +FCI::matvec : Wall time = 41.215913 seconds +FCI::matvec : Wall time = 41.107846 seconds +FCI::matvec : Wall time = 40.399782 seconds +FCI::matvec : Wall time = 39.463773 seconds +FCI::matvec : Wall time = 39.831839 seconds +FCI::matvec : Wall time = 38.227833 seconds +FCI::matvec : Wall time = 38.775731 seconds +FCI::matvec : Wall time = 30.996198 seconds +FCI::matvec : Wall time = 35.235409 seconds +FCI::matvec : Wall time = 55.998444 seconds +FCI::matvec : Wall time = 57.078576 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599438 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 @@ -2378,280 +2413,280 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 15 -Energy at sites (8, 9) is -103.755315999479 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (7, 8) is -105.792899427426 - Stats: nIt(DAVIDSON) = 61 -Energy at sites (6, 7) is -105.903420651593 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (8, 9) is -100.581324387413 + Stats: nIt(DAVIDSON) = 22 +Energy at sites (7, 8) is -105.791815677174 + Stats: nIt(DAVIDSON) = 50 +Energy at sites (6, 7) is -105.906713842936 Stats: nIt(DAVIDSON) = 60 -Energy at sites (5, 6) is -105.90583274103 - Stats: nIt(DAVIDSON) = 43 -Energy at sites (4, 5) is -106.144447345351 - Stats: nIt(DAVIDSON) = 26 -Energy at sites (3, 4) is -106.168138193652 +Energy at sites (5, 6) is -105.918274061654 + Stats: nIt(DAVIDSON) = 36 +Energy at sites (4, 5) is -106.109021179321 + Stats: nIt(DAVIDSON) = 44 +Energy at sites (3, 4) is -106.131766719848 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.168138340974 +Energy at sites (2, 3) is -106.131766740266 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.168138340974 +Energy at sites (1, 2) is -106.131766740266 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.285035 seconds -*** |--> S.join = 0.059394 seconds -*** |--> S.solve = 2.806686 seconds -*** |--> S.split = 0.148622 seconds -*** |--> Tensor update = 0.270096 seconds -*** |--> create = 0.016466 seconds -*** |--> destroy = 0.001876 seconds -*** |--> disk write = 0.010536 seconds -*** |--> disk read = 0.008356 seconds -*** |--> calc = 0.232832 seconds -*** Disk write bandwidth = 19.1589332296709 MB/s -*** Disk read bandwidth = 24.0276623365695 MB/s -*** Minimum energy = -106.168138340974 +*** Elapsed wall time = 19.014345 seconds +*** |--> S.join = 0.236406 seconds +*** |--> S.solve = 16.970276 seconds +*** |--> S.split = 0.645424 seconds +*** |--> Tensor update = 1.161685 seconds +*** |--> create = 0.016571 seconds +*** |--> destroy = 0.001854 seconds +*** |--> disk write = 0.012718 seconds +*** |--> disk read = 0.096337 seconds +*** |--> calc = 1.034133 seconds +*** Disk write bandwidth = 15.8718761210735 MB/s +*** Disk read bandwidth = 2.08409174548071 MB/s +*** Minimum energy = -106.131766740266 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.168138340974 +Energy at sites (0, 1) is -106.131766740266 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.168138340974 +Energy at sites (1, 2) is -106.131766740266 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.168138340974 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.168138341 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -106.168242012357 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -106.191340390513 +Energy at sites (2, 3) is -106.131766740266 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (3, 4) is -106.131766740266 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.133060526819 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (5, 6) is -106.19113242525 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191340391461 +Energy at sites (6, 7) is -106.191132425538 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191340391461 +Energy at sites (7, 8) is -106.191132425538 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.468132 seconds -*** |--> S.join = 0.064769 seconds -*** |--> S.solve = 0.900426 seconds -*** |--> S.split = 0.187752 seconds -*** |--> Tensor update = 0.314964 seconds -*** |--> create = 0.015392 seconds -*** |--> destroy = 0.00186 seconds -*** |--> disk write = 0.009913 seconds -*** |--> disk read = 0.008198 seconds -*** |--> calc = 0.279559 seconds -*** Disk write bandwidth = 20.2537220300994 MB/s -*** Disk read bandwidth = 24.6228983298137 MB/s -*** Minimum energy = -106.191340391461 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.191340391461 +*** Elapsed wall time = 5.728193 seconds +*** |--> S.join = 0.307805 seconds +*** |--> S.solve = 3.503901 seconds +*** |--> S.split = 0.691949 seconds +*** |--> Tensor update = 1.224023 seconds +*** |--> create = 0.016465 seconds +*** |--> destroy = 0.001909 seconds +*** |--> disk write = 0.023606 seconds +*** |--> disk read = 0.107567 seconds +*** |--> calc = 1.074409 seconds +*** Disk write bandwidth = 8.50525910719203 MB/s +*** Disk read bandwidth = 1.87658408719972 MB/s +*** Minimum energy = -106.191132425538 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191132425538 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191340391461 +Energy at sites (8, 9) is -106.191132425538 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191340391461 +Energy at sites (7, 8) is -106.191132425538 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191340391461 +Energy at sites (6, 7) is -106.191132425538 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.191340391461 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -106.191396017137 +Energy at sites (5, 6) is -106.191132425538 Stats: nIt(DAVIDSON) = 10 -Energy at sites (3, 4) is -106.191465388017 +Energy at sites (4, 5) is -106.191381282317 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (3, 4) is -106.191464265361 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.191465394422 +Energy at sites (2, 3) is -106.191464299962 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191465394422 +Energy at sites (1, 2) is -106.191464299962 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.739842 seconds -*** |--> S.join = 0.100792 seconds -*** |--> S.solve = 1.028321 seconds -*** |--> S.split = 0.235883 seconds -*** |--> Tensor update = 0.374615 seconds -*** |--> create = 0.014996 seconds -*** |--> destroy = 0.001858 seconds -*** |--> disk write = 0.010016 seconds -*** |--> disk read = 0.008073 seconds -*** |--> calc = 0.339641 seconds -*** Disk write bandwidth = 20.1536062807321 MB/s -*** Disk read bandwidth = 24.8699549714326 MB/s -*** Minimum energy = -106.191465394422 +*** Elapsed wall time = 5.931795 seconds +*** |--> S.join = 0.367241 seconds +*** |--> S.solve = 3.500308 seconds +*** |--> S.split = 0.752308 seconds +*** |--> Tensor update = 1.311413 seconds +*** |--> create = 0.016238 seconds +*** |--> destroy = 0.001867 seconds +*** |--> disk write = 0.012805 seconds +*** |--> disk read = 0.102851 seconds +*** |--> calc = 1.177586 seconds +*** Disk write bandwidth = 15.7640390869045 MB/s +*** Disk read bandwidth = 1.95209717440156 MB/s +*** Minimum energy = -106.191464299962 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191465394422 +Energy at sites (0, 1) is -106.191464299962 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191465394422 +Energy at sites (1, 2) is -106.191464299962 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191465394422 +Energy at sites (2, 3) is -106.191464299962 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191465394422 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -106.191465430522 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -106.191466520905 +Energy at sites (3, 4) is -106.191464299962 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (4, 5) is -106.191464370305 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (5, 6) is -106.191466495807 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191466521058 +Energy at sites (6, 7) is -106.191466496276 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466521058 +Energy at sites (7, 8) is -106.191466496277 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.960049 seconds -*** |--> S.join = 0.040945 seconds -*** |--> S.solve = 0.516168 seconds -*** |--> S.split = 0.144432 seconds -*** |--> Tensor update = 0.258282 seconds -*** |--> create = 0.015286 seconds -*** |--> destroy = 0.001848 seconds -*** |--> disk write = 0.009992 seconds -*** |--> disk read = 0.008006 seconds -*** |--> calc = 0.223113 seconds -*** Disk write bandwidth = 20.0935895200535 MB/s -*** Disk read bandwidth = 25.2134050097193 MB/s -*** Minimum energy = -106.191466521058 +*** Elapsed wall time = 4.647881 seconds +*** |--> S.join = 0.309972 seconds +*** |--> S.solve = 2.360751 seconds +*** |--> S.split = 0.775505 seconds +*** |--> Tensor update = 1.201039 seconds +*** |--> create = 0.016007 seconds +*** |--> destroy = 0.001822 seconds +*** |--> disk write = 0.013117 seconds +*** |--> disk read = 0.15158 seconds +*** |--> calc = 1.018436 seconds +*** Disk write bandwidth = 15.3064836841027 MB/s +*** Disk read bandwidth = 1.33169626934828 MB/s +*** Minimum energy = -106.191466496277 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 0.000126129597191493 +*** Energy difference with respect to previous leftright sweep = 0.000334070738858827 ****************************************************************** *** 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 = -106.191466521058 -*** Minimum energy encountered during the last sweep = -106.191466521058 +*** Minimum energy encountered during all instructions = -106.191466496277 +*** Minimum energy encountered during the last sweep = -106.191466496277 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 9 -Energy at sites (8, 9) is -106.191466521061 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (8, 9) is -106.191466496279 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -106.191466521062 +Energy at sites (7, 8) is -106.19146649628 Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -106.191466521062 +Energy at sites (6, 7) is -106.19146649628 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.191466521069 +Energy at sites (5, 6) is -106.191466496285 Stats: nIt(DAVIDSON) = 17 -Energy at sites (4, 5) is -106.191466552494 - Stats: nIt(DAVIDSON) = 20 -Energy at sites (3, 4) is -106.191466572613 +Energy at sites (4, 5) is -106.191466547216 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (3, 4) is -106.191466571111 Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -106.191466572615 +Energy at sites (2, 3) is -106.191466571113 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466572615 +Energy at sites (1, 2) is -106.191466571113 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.264116 seconds -*** |--> S.join = 0.048765 seconds -*** |--> S.solve = 1.042773 seconds -*** |--> S.split = 0.065689 seconds -*** |--> Tensor update = 0.106716 seconds -*** |--> create = 0.015012 seconds -*** |--> destroy = 0.001877 seconds -*** |--> disk write = 0.009797 seconds -*** |--> disk read = 0.007949 seconds -*** |--> calc = 0.072053 seconds -*** Disk write bandwidth = 20.6041155974086 MB/s -*** Disk read bandwidth = 25.2579125027519 MB/s -*** Minimum energy = -106.191466572615 +*** Elapsed wall time = 7.04383 seconds +*** |--> S.join = 0.26865 seconds +*** |--> S.solve = 5.288394 seconds +*** |--> S.split = 0.623748 seconds +*** |--> Tensor update = 0.862534 seconds +*** |--> create = 0.016032 seconds +*** |--> destroy = 0.001931 seconds +*** |--> disk write = 0.011943 seconds +*** |--> disk read = 0.061928 seconds +*** |--> calc = 0.77064 seconds +*** Disk write bandwidth = 16.9018270541583 MB/s +*** Disk read bandwidth = 3.24207380319686 MB/s +*** Minimum energy = -106.191466571113 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466572615 +Energy at sites (0, 1) is -106.191466571113 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466572615 +Energy at sites (1, 2) is -106.191466571113 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466572615 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -106.191466572615 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.191466572623 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (5, 6) is -106.19146657574 +Energy at sites (2, 3) is -106.191466571113 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (3, 4) is -106.191466571113 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.19146657112 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -106.191466575626 Stats: nIt(DAVIDSON) = 4 -Energy at sites (6, 7) is -106.19146657574 +Energy at sites (6, 7) is -106.191466575626 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19146657574 +Energy at sites (7, 8) is -106.191466575626 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.867624 seconds -*** |--> S.join = 0.073835 seconds -*** |--> S.solve = 1.271414 seconds -*** |--> S.split = 0.204346 seconds -*** |--> Tensor update = 0.317878 seconds -*** |--> create = 0.015305 seconds -*** |--> destroy = 0.00178 seconds -*** |--> disk write = 0.009384 seconds -*** |--> disk read = 0.00762 seconds -*** |--> calc = 0.283767 seconds -*** Disk write bandwidth = 21.3954759680707 MB/s -*** Disk read bandwidth = 26.4906194892142 MB/s -*** Minimum energy = -106.19146657574 +*** Elapsed wall time = 5.268069 seconds +*** |--> S.join = 0.249193 seconds +*** |--> S.solve = 3.404537 seconds +*** |--> S.split = 0.635563 seconds +*** |--> Tensor update = 0.978312 seconds +*** |--> create = 0.016083 seconds +*** |--> destroy = 0.001773 seconds +*** |--> disk write = 0.012137 seconds +*** |--> disk read = 0.077321 seconds +*** |--> calc = 0.870937 seconds +*** Disk write bandwidth = 16.5424031049168 MB/s +*** Disk read bandwidth = 2.61065584392096 MB/s +*** Minimum energy = -106.191466575626 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.4681436267856e-08 +*** Energy difference with respect to previous leftright sweep = 7.93491778949829e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.19146657574 +Energy at sites (8, 9) is -106.191466575626 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19146657574 +Energy at sites (7, 8) is -106.191466575626 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.19146657574 +Energy at sites (6, 7) is -106.191466575626 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -106.19146657574 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (4, 5) is -106.19146657588 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (3, 4) is -106.191466575937 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (2, 3) is -106.191466575937 +Energy at sites (5, 6) is -106.191466575626 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (4, 5) is -106.191466575836 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -106.191466575928 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -106.191466575928 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575937 +Energy at sites (1, 2) is -106.191466575928 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 1.843805 seconds -*** |--> S.join = 0.070506 seconds -*** |--> S.solve = 1.228151 seconds -*** |--> S.split = 0.207965 seconds -*** |--> Tensor update = 0.337028 seconds -*** |--> create = 0.014711 seconds -*** |--> destroy = 0.001799 seconds -*** |--> disk write = 0.009242 seconds -*** |--> disk read = 0.007449 seconds -*** |--> calc = 0.303798 seconds -*** Disk write bandwidth = 21.8414326452946 MB/s -*** Disk read bandwidth = 26.9533019847463 MB/s -*** Minimum energy = -106.191466575937 +*** Elapsed wall time = 5.359882 seconds +*** |--> S.join = 0.259891 seconds +*** |--> S.solve = 3.368465 seconds +*** |--> S.split = 0.707605 seconds +*** |--> Tensor update = 1.02336 seconds +*** |--> create = 0.015895 seconds +*** |--> destroy = 0.001846 seconds +*** |--> disk write = 0.012301 seconds +*** |--> disk read = 0.082463 seconds +*** |--> calc = 0.910755 seconds +*** Disk write bandwidth = 16.4099276894409 MB/s +*** Disk read bandwidth = 2.43473007875502 MB/s +*** Minimum energy = -106.191466575928 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575937 +Energy at sites (0, 1) is -106.191466575928 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575937 +Energy at sites (1, 2) is -106.191466575928 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575937 +Energy at sites (2, 3) is -106.191466575928 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575937 +Energy at sites (3, 4) is -106.191466575928 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191466575937 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -106.19146657595 +Energy at sites (4, 5) is -106.191466575928 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -106.191466575949 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575949 +Energy at sites (7, 8) is -106.191466575948 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 1.852156 seconds -*** |--> S.join = 0.094208 seconds -*** |--> S.solve = 1.112176 seconds -*** |--> S.split = 0.259911 seconds -*** |--> Tensor update = 0.385651 seconds -*** |--> create = 0.015725 seconds -*** |--> destroy = 0.001676 seconds -*** |--> disk write = 0.009315 seconds -*** |--> disk read = 0.00752700000000002 seconds -*** |--> calc = 0.351384 seconds -*** Disk write bandwidth = 21.5539609752415 MB/s -*** Disk read bandwidth = 26.8179248715042 MB/s -*** Minimum energy = -106.19146657595 +*** Elapsed wall time = 4.80001 seconds +*** |--> S.join = 0.30081 seconds +*** |--> S.solve = 2.895865 seconds +*** |--> S.split = 0.611459 seconds +*** |--> Tensor update = 0.991334 seconds +*** |--> create = 0.015827 seconds +*** |--> destroy = 0.001903 seconds +*** |--> disk write = 0.012204 seconds +*** |--> disk read = 0.057601 seconds +*** |--> calc = 0.903734 seconds +*** Disk write bandwidth = 16.4515852576512 MB/s +*** Disk read bandwidth = 3.50442736250781 MB/s +*** Minimum energy = -106.191466575949 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.09752215596382e-10 +*** Energy difference with respect to previous leftright sweep = 3.22728510582238e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575949 @@ -2661,7 +2696,7 @@ Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575949 - Stats: nIt(DAVIDSON) = 12 + Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 13 Energy at sites (3, 4) is -106.19146657595 @@ -2671,18 +2706,18 @@ Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 1.491721 seconds -*** |--> S.join = 0.079426 seconds -*** |--> S.solve = 1.010015 seconds -*** |--> S.split = 0.148571 seconds -*** |--> Tensor update = 0.25352 seconds -*** |--> create = 0.015016 seconds -*** |--> destroy = 0.001635 seconds -*** |--> disk write = 0.009202 seconds -*** |--> disk read = 0.007709 seconds -*** |--> calc = 0.219933 seconds -*** Disk write bandwidth = 21.9363747563369 MB/s -*** Disk read bandwidth = 26.0442530139285 MB/s +*** Elapsed wall time = 4.659966 seconds +*** |--> S.join = 0.229226 seconds +*** |--> S.solve = 2.851711 seconds +*** |--> S.split = 0.579735 seconds +*** |--> Tensor update = 0.998744 seconds +*** |--> create = 0.016557 seconds +*** |--> destroy = 0.001992 seconds +*** |--> disk write = 0.012749 seconds +*** |--> disk read = 0.087026 seconds +*** |--> calc = 0.88035 seconds +*** Disk write bandwidth = 15.8332826502324 MB/s +*** Disk read bandwidth = 2.30707083497317 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** @@ -2694,37 +2729,37 @@ Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 6 + Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -106.19146657595 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (5, 6) is -106.191466575951 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 = 1.285374 seconds -*** |--> S.join = 0.081308 seconds -*** |--> S.solve = 0.777656 seconds -*** |--> S.split = 0.170688 seconds -*** |--> Tensor update = 0.255517 seconds -*** |--> create = 0.014932 seconds -*** |--> destroy = 0.001658 seconds -*** |--> disk write = 0.009739 seconds -*** |--> disk read = 0.008325 seconds -*** |--> calc = 0.220756 seconds -*** Disk write bandwidth = 20.6155813209133 MB/s -*** Disk read bandwidth = 24.2472697306682 MB/s -*** Minimum energy = -106.19146657595 +*** Elapsed wall time = 4.10391 seconds +*** |--> S.join = 0.234424 seconds +*** |--> S.solve = 2.271741 seconds +*** |--> S.split = 0.589682 seconds +*** |--> Tensor update = 1.007541 seconds +*** |--> create = 0.017212 seconds +*** |--> destroy = 0.001983 seconds +*** |--> disk write = 0.013221 seconds +*** |--> disk read = 0.110077 seconds +*** |--> calc = 0.86498 seconds +*** Disk write bandwidth = 15.1860786993703 MB/s +*** Disk read bandwidth = 1.83379380349948 MB/s +*** Minimum energy = -106.191466575951 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 7.105427357601e-13 +*** Energy difference with respect to previous leftright sweep = 1.67688085639384e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 621 -*** Minimum energy encountered during all instructions = -106.19146657595 -*** Minimum energy encountered during the last sweep = -106.19146657595 +*** Minimum energy encountered during all instructions = -106.191466575951 +*** Minimum energy encountered during the last sweep = -106.191466575951 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** @@ -2733,51 +2768,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.99999399659752 , 1.99366325709182 , 1.87190049407067 ]. - NOON of irrep B2g = [ 0.584814274345825 ]. - NOON of irrep B3g = [ 0.584814287865604 ]. - NOON of irrep B1u = [ 1.99999783389175 , 1.12096429083392 , 1.00219410812703 ]. - NOON of irrep B2u = [ 1.42082872384714 ]. - NOON of irrep B3u = [ 1.42082873332872 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128139809449e-05 , 0.0722109514295816 , 0.460791901553056 , 1.1307577866074 , 1.13075779852057 , 6.17502959968228e-05 , 0.977139013590381 , 0.735936477988857 , 1.12042723566246 , 1.12042723075452 ]. - Idistance(0) = 5.65234390870598 - Idistance(1) = 19.8382955987663 - Idistance(2) = 88.8195401770349 + NOON of irrep Ag = [ 1.99999399659716 , 1.99366325659354 , 1.87190049203621 ]. + NOON of irrep B2g = [ 0.584814305430624 ]. + NOON of irrep B3g = [ 0.584814258956924 ]. + NOON of irrep B1u = [ 1.99999783389177 , 1.12096429149014 , 1.00219410753697 ]. + NOON of irrep B2u = [ 1.4208287584461 ]. + NOON of irrep B3u = [ 1.42082869902058 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128185726283e-05 , 0.0722109531116204 , 0.460791907922613 , 1.13075779742423 , 1.13075779144588 , 6.17502955814825e-05 , 0.977139014421091 , 0.735936481044059 , 1.12042721807199 , 1.12042724767852 ]. + Idistance(0) = 5.65234392571699 + Idistance(1) = 19.8382958034769 + Idistance(2) = 88.8195416625522 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.909998 seconds -*** |--> MPS gauge change = 0.316935 seconds -*** |--> Diagram calc = 0.059784 seconds -*** |--> Tensor update = 0.532502 seconds -*** |--> create = 0.034733 seconds -*** |--> destroy = 0.003203 seconds -*** |--> disk write = 0.020582 seconds -*** |--> disk read = 0.017638 seconds -*** |--> calc = 0.456249 seconds -*** Disk write bandwidth = 20.5198908301626 MB/s -*** Disk read bandwidth = 23.9449139962811 MB/s +*** Elapsed wall time = 4.420286 seconds +*** |--> MPS gauge change = 1.488458 seconds +*** |--> Diagram calc = 0.31726 seconds +*** |--> Tensor update = 2.613579 seconds +*** |--> create = 0.037679 seconds +*** |--> destroy = 0.005283 seconds +*** |--> disk write = 0.032443 seconds +*** |--> disk read = 0.266615 seconds +*** |--> calc = 2.271255 seconds +*** Disk write bandwidth = 13.0179204471352 MB/s +*** Disk read bandwidth = 1.58408339015587 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 = 1.497296 seconds -FCI::matvec : Wall time = 0.016987 seconds -FCI::matvec : Wall time = 0.017632 seconds -FCI::matvec : Wall time = 0.017245 seconds -FCI::matvec : Wall time = 0.016933 seconds -FCI::matvec : Wall time = 0.017059 seconds -FCI::matvec : Wall time = 0.03113 seconds -FCI::matvec : Wall time = 0.021813 seconds -FCI::matvec : Wall time = 0.017394 seconds -FCI::matvec : Wall time = 0.019357 seconds -FCI::matvec : Wall time = 0.017768 seconds -FCI::matvec : Wall time = 0.024522 seconds -FCI::matvec : Wall time = 0.017297 seconds -FCI::matvec : Wall time = 1.46996 seconds -FCI::matvec : Wall time = 0.021412 seconds -FCI::matvec : Wall time = 0.023251 seconds -FCI::matvec : Wall time = 0.016592 seconds -FCI::matvec : Wall time = 1.19856 seconds +FCI::matvec : Wall time = 45.250388 seconds +FCI::matvec : Wall time = 34.20792 seconds +FCI::matvec : Wall time = 33.203861 seconds +FCI::matvec : Wall time = 52.583853 seconds +FCI::matvec : Wall time = 59.003241 seconds +FCI::matvec : Wall time = 59.032427 seconds +FCI::matvec : Wall time = 48.233251 seconds +FCI::matvec : Wall time = 40.386499 seconds +FCI::matvec : Wall time = 33.443823 seconds +FCI::matvec : Wall time = 28.603778 seconds +FCI::matvec : Wall time = 29.787803 seconds +FCI::matvec : Wall time = 26.763776 seconds +FCI::matvec : Wall time = 26.311793 seconds +FCI::matvec : Wall time = 26.42778 seconds +FCI::matvec : Wall time = 28.24411 seconds +FCI::matvec : Wall time = 25.772098 seconds +FCI::matvec : Wall time = 23.1555 seconds +FCI::matvec : Wall time = 23.031271 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 @@ -2799,280 +2834,280 @@ 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) = 18 -Energy at sites (8, 9) is -102.970430227573 - Stats: nIt(DAVIDSON) = 26 -Energy at sites (7, 8) is -106.580960401406 - Stats: nIt(DAVIDSON) = 29 -Energy at sites (6, 7) is -106.778497144049 - Stats: nIt(DAVIDSON) = 62 -Energy at sites (5, 6) is -107.282139947204 - Stats: nIt(DAVIDSON) = 30 -Energy at sites (4, 5) is -107.345967441108 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (3, 4) is -107.346086485559 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.346087832993 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (8, 9) is -104.622407613434 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (7, 8) is -106.643672255897 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (6, 7) is -106.778651372527 + Stats: nIt(DAVIDSON) = 61 +Energy at sites (5, 6) is -107.273745649408 + Stats: nIt(DAVIDSON) = 31 +Energy at sites (4, 5) is -107.346073950418 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (3, 4) is -107.346190808138 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (2, 3) is -107.346192266118 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346087832993 +Energy at sites (1, 2) is -107.346192266118 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.703697 seconds -*** |--> S.join = 0.047956 seconds -*** |--> S.solve = 2.262073 seconds -*** |--> S.split = 0.129865 seconds -*** |--> Tensor update = 0.263584 seconds -*** |--> create = 0.019125 seconds -*** |--> destroy = 0.001826 seconds -*** |--> disk write = 0.010701 seconds -*** |--> disk read = 0.008117 seconds -*** |--> calc = 0.223786 seconds -*** Disk write bandwidth = 76.514963189772 MB/s -*** Disk read bandwidth = 100.426593407836 MB/s -*** Minimum energy = -107.346087832993 +*** Elapsed wall time = 7.58353 seconds +*** |--> S.join = 0.0961090000000001 seconds +*** |--> S.solve = 6.600553 seconds +*** |--> S.split = 0.305171 seconds +*** |--> Tensor update = 0.581212 seconds +*** |--> create = 0.036793 seconds +*** |--> destroy = 0.00225 seconds +*** |--> disk write = 0.014623 seconds +*** |--> disk read = 0.044449 seconds +*** |--> calc = 0.483028 seconds +*** Disk write bandwidth = 55.9930671608938 MB/s +*** Disk read bandwidth = 18.3392800443521 MB/s +*** Minimum energy = -107.346192266118 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346087832993 +Energy at sites (0, 1) is -107.346192266118 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346087832993 +Energy at sites (1, 2) is -107.346192266118 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346087832993 +Energy at sites (2, 3) is -107.346192266118 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346087835158 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -107.346087887877 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -107.346320782154 +Energy at sites (3, 4) is -107.34619226832 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (4, 5) is -107.346192320713 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.346320935113 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.34632539476 +Energy at sites (6, 7) is -107.346325538239 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325394761 +Energy at sites (7, 8) is -107.346325538239 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.208596 seconds -*** |--> S.join = 0.032307 seconds -*** |--> S.solve = 0.105529 seconds -*** |--> S.split = 0.002589 seconds -*** |--> Tensor update = 0.068044 seconds -*** |--> create = 0.020051 seconds -*** |--> destroy = 0.001784 seconds -*** |--> disk write = 0.010043 seconds -*** |--> disk read = 0.008206 seconds -*** |--> calc = 0.027935 seconds -*** Disk write bandwidth = 81.167246708295 MB/s -*** Disk read bandwidth = 99.7790179251462 MB/s -*** Minimum energy = -107.346325394761 +*** Elapsed wall time = 2.512174 seconds +*** |--> S.join = 0.094811 seconds +*** |--> S.solve = 1.508037 seconds +*** |--> S.split = 0.323391 seconds +*** |--> Tensor update = 0.585522 seconds +*** |--> create = 0.037121 seconds +*** |--> destroy = 0.002072 seconds +*** |--> disk write = 0.013433 seconds +*** |--> disk read = 0.043797 seconds +*** |--> calc = 0.489042 seconds +*** Disk write bandwidth = 60.6835895698211 MB/s +*** Disk read bandwidth = 18.6950389545802 MB/s +*** Minimum energy = -107.346325538239 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346325394761 +*** Energy difference with respect to previous leftright sweep = 107.346325538239 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346325394761 +Energy at sites (8, 9) is -107.346325538239 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325394761 +Energy at sites (7, 8) is -107.346325538239 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346325394761 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (5, 6) is -107.34632539841 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.346326054538 +Energy at sites (6, 7) is -107.346325538239 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.346326105531 +Energy at sites (5, 6) is -107.346325541875 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.346326079889 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.346326104563 Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.346326105548 +Energy at sites (2, 3) is -107.346326104587 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326105548 +Energy at sites (1, 2) is -107.346326104587 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.383466 seconds -*** |--> S.join = 0.064546 seconds -*** |--> S.solve = 0.843143 seconds -*** |--> S.split = 0.180534 seconds -*** |--> Tensor update = 0.295034 seconds -*** |--> create = 0.019368 seconds -*** |--> destroy = 0.001836 seconds -*** |--> disk write = 0.011255 seconds -*** |--> disk read = 0.008453 seconds -*** |--> calc = 0.254088 seconds -*** Disk write bandwidth = 72.7487002304532 MB/s -*** Disk read bandwidth = 96.4347165138302 MB/s -*** Minimum energy = -107.346326105548 +*** Elapsed wall time = 2.119742 seconds +*** |--> S.join = 0.103262 seconds +*** |--> S.solve = 1.163968 seconds +*** |--> S.split = 0.335426 seconds +*** |--> Tensor update = 0.516586 seconds +*** |--> create = 0.0357 seconds +*** |--> destroy = 0.002184 seconds +*** |--> disk write = 0.013894 seconds +*** |--> disk read = 0.043948 seconds +*** |--> calc = 0.420798 seconds +*** Disk write bandwidth = 58.9309501291025 MB/s +*** Disk read bandwidth = 18.5483448323338 MB/s +*** Minimum energy = -107.346326104587 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326105548 +Energy at sites (0, 1) is -107.346326104587 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326105548 +Energy at sites (1, 2) is -107.346326104587 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326105548 +Energy at sites (2, 3) is -107.346326104587 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326105548 +Energy at sites (3, 4) is -107.346326104587 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326105595 +Energy at sites (4, 5) is -107.346326104619 Stats: nIt(DAVIDSON) = 4 -Energy at sites (5, 6) is -107.346326114769 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.346326114841 +Energy at sites (5, 6) is -107.346326114788 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (6, 7) is -107.346326114788 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114841 +Energy at sites (7, 8) is -107.346326114788 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.80242 seconds -*** |--> S.join = 0.062933 seconds -*** |--> S.solve = 0.353128 seconds -*** |--> S.split = 0.125836 seconds -*** |--> Tensor update = 0.260294 seconds -*** |--> create = 0.019017 seconds -*** |--> destroy = 0.00186 seconds -*** |--> disk write = 0.010955 seconds -*** |--> disk read = 0.016755 seconds -*** |--> calc = 0.211674 seconds -*** Disk write bandwidth = 74.4101012041448 MB/s -*** Disk read bandwidth = 48.868195827738 MB/s -*** Minimum energy = -107.346326114841 +*** Elapsed wall time = 1.830717 seconds +*** |--> S.join = 0.110194 seconds +*** |--> S.solve = 0.868288 seconds +*** |--> S.split = 0.317426 seconds +*** |--> Tensor update = 0.534327 seconds +*** |--> create = 0.0456660000000001 seconds +*** |--> destroy = 0.002191 seconds +*** |--> disk write = 0.021928 seconds +*** |--> disk read = 0.019689 seconds +*** |--> calc = 0.444791 seconds +*** Disk write bandwidth = 37.1745101555731 MB/s +*** Disk read bandwidth = 41.5859932497207 MB/s +*** Minimum energy = -107.346326114788 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 7.20080180371951e-07 +*** Energy difference with respect to previous leftright sweep = 5.7654912666294e-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 = -107.346326114841 -*** Minimum energy encountered during the last sweep = -107.346326114841 +*** Minimum energy encountered during all instructions = -107.346326114788 +*** Minimum energy encountered during the last sweep = -107.346326114788 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.346326114842 +Energy at sites (8, 9) is -107.346326114789 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -107.346326114843 +Energy at sites (7, 8) is -107.346326114795 Stats: nIt(DAVIDSON) = 12 -Energy at sites (6, 7) is -107.346326114843 +Energy at sites (6, 7) is -107.346326114796 Stats: nIt(DAVIDSON) = 17 -Energy at sites (5, 6) is -107.346326114845 +Energy at sites (5, 6) is -107.346326114797 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.346326115019 +Energy at sites (4, 5) is -107.346326115017 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.34632611502 +Energy at sites (3, 4) is -107.346326115019 Stats: nIt(DAVIDSON) = 7 -Energy at sites (2, 3) is -107.346326115021 +Energy at sites (2, 3) is -107.346326115019 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115021 +Energy at sites (1, 2) is -107.346326115019 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 2.041342 seconds -*** |--> S.join = 0.051332 seconds -*** |--> S.solve = 1.511224 seconds -*** |--> S.split = 0.136634 seconds -*** |--> Tensor update = 0.34194 seconds -*** |--> create = 0.030974 seconds -*** |--> destroy = 0.001798 seconds -*** |--> disk write = 0.011116 seconds -*** |--> disk read = 0.016284 seconds -*** |--> calc = 0.281733 seconds -*** Disk write bandwidth = 73.6583862085058 MB/s -*** Disk read bandwidth = 50.0591168442278 MB/s -*** Minimum energy = -107.346326115021 +*** Elapsed wall time = 3.953356 seconds +*** |--> S.join = 0.106166 seconds +*** |--> S.solve = 2.908398 seconds +*** |--> S.split = 0.350162 seconds +*** |--> Tensor update = 0.588135 seconds +*** |--> create = 0.05349 seconds +*** |--> destroy = 0.002637 seconds +*** |--> disk write = 0.023508 seconds +*** |--> disk read = 0.037433 seconds +*** |--> calc = 0.470991 seconds +*** Disk write bandwidth = 34.8301268118832 MB/s +*** Disk read bandwidth = 21.7765783851523 MB/s +*** Minimum energy = -107.346326115019 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115021 +Energy at sites (0, 1) is -107.346326115019 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115021 +Energy at sites (1, 2) is -107.346326115019 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115021 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.346326115021 +Energy at sites (2, 3) is -107.346326115019 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.346326115019 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.34632611502 +Energy at sites (4, 5) is -107.346326115019 Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.355211 seconds -*** |--> S.join = 0.034605 seconds -*** |--> S.solve = 0.194414 seconds -*** |--> S.split = 0.034585 seconds -*** |--> Tensor update = 0.091466 seconds -*** |--> create = 0.019994 seconds -*** |--> destroy = 0.001871 seconds -*** |--> disk write = 0.010906 seconds -*** |--> disk read = 0.008544 seconds -*** |--> calc = 0.050116 seconds -*** Disk write bandwidth = 74.7444212994137 MB/s -*** Disk read bandwidth = 95.8317674501112 MB/s +*** Elapsed wall time = 2.516335 seconds +*** |--> S.join = 0.105456 seconds +*** |--> S.solve = 1.580315 seconds +*** |--> S.split = 0.29972 seconds +*** |--> Tensor update = 0.530319 seconds +*** |--> create = 0.029505 seconds +*** |--> destroy = 0.002097 seconds +*** |--> disk write = 0.013859 seconds +*** |--> disk read = 0.02831 seconds +*** |--> calc = 0.45648 seconds +*** Disk write bandwidth = 58.8182883823801 MB/s +*** Disk read bandwidth = 28.92216959003 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.8360424292041e-10 +*** Energy difference with respect to previous leftright sweep = 2.36184405366657e-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 -107.346326115024 - Stats: nIt(DAVIDSON) = 6 + Stats: nIt(DAVIDSON) = 4 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.346326115025 +Energy at sites (4, 5) is -107.346326115024 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115025 +Energy at sites (1, 2) is -107.346326115024 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.166149 seconds -*** |--> S.join = 0.043762 seconds -*** |--> S.solve = 0.064706 seconds -*** |--> S.split = 0.002654 seconds -*** |--> Tensor update = 0.0549010000000001 seconds -*** |--> create = 0.019075 seconds -*** |--> destroy = 0.00187100000000002 seconds -*** |--> disk write = 0.010116 seconds -*** |--> disk read = 0.00843 seconds -*** |--> calc = 0.015382 seconds -*** Disk write bandwidth = 80.9397608831307 MB/s -*** Disk read bandwidth = 96.6978242813056 MB/s +*** Elapsed wall time = 2.199196 seconds +*** |--> S.join = 0.124141 seconds +*** |--> S.solve = 1.304389 seconds +*** |--> S.split = 0.271954 seconds +*** |--> Tensor update = 0.4982 seconds +*** |--> create = 0.019722 seconds +*** |--> destroy = 0.00219 seconds +*** |--> disk write = 0.012883 seconds +*** |--> disk read = 0.034458 seconds +*** |--> calc = 0.428886 seconds +*** Disk write bandwidth = 63.5555865166304 MB/s +*** Disk read bandwidth = 23.656702614528 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115025 +Energy at sites (0, 1) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115025 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 -107.346326115025 Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.346326115024 +Energy at sites (5, 6) is -107.346326115025 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.145513 seconds -*** |--> S.join = 0.02928 seconds -*** |--> S.solve = 0.062523 seconds -*** |--> S.split = 0.002499 seconds -*** |--> Tensor update = 0.051109 seconds -*** |--> create = 0.019835 seconds -*** |--> destroy = 0.001849 seconds -*** |--> disk write = 0.010074 seconds -*** |--> disk read = 0.008379 seconds -*** |--> calc = 0.010948 seconds -*** Disk write bandwidth = 80.9174765427245 MB/s -*** Disk read bandwidth = 97.7188949867228 MB/s +*** Elapsed wall time = 2.320532 seconds +*** |--> S.join = 0.11382 seconds +*** |--> S.solve = 1.26297 seconds +*** |--> S.split = 0.345507 seconds +*** |--> Tensor update = 0.597732 seconds +*** |--> create = 0.032121 seconds +*** |--> destroy = 0.002691 seconds +*** |--> disk write = 0.01549 seconds +*** |--> disk read = 0.016987 seconds +*** |--> calc = 0.530366 seconds +*** Disk write bandwidth = 52.6250909419888 MB/s +*** Disk read bandwidth = 48.2007783065727 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14 +*** Energy difference with respect to previous leftright sweep = 5.6843418860808e-14 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3086,52 +3121,52 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025 - NOON of irrep Ag = [ 1.99999018535369 , 1.9929217527526 , 1.03221285684697 ]. - NOON of irrep B2g = [ 1.02415310258029 ]. - NOON of irrep B3g = [ 0.089693428774181 ]. - NOON of irrep B1u = [ 1.99999295584655 , 1.95039154287658 , 0.0159495095173473 ]. - NOON of irrep B2u = [ 1.91962159297122 ]. - NOON of irrep B3u = [ 1.97507307248062 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00012132299215035 , 0.0447141468265172 , 0.838966994178455 , 0.790658960295148 , 0.317368561135869 , 9.24989500612919e-05 , 0.227634117188435 , 0.0907424584144429 , 0.299652804838681 , 0.133979297012596 ]. - Idistance(0) = 1.57215407895556 - Idistance(1) = 5.1580544831443 - Idistance(2) = 21.9866409896667 + Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 + NOON of irrep Ag = [ 1.99999018535367 , 1.9929217527336 , 1.03221285687805 ]. + NOON of irrep B2g = [ 1.02415310257848 ]. + NOON of irrep B3g = [ 0.0896934287724186 ]. + NOON of irrep B1u = [ 1.99999295584654 , 1.95039154287108 , 0.0159495095106708 ]. + NOON of irrep B2u = [ 1.9196215929721 ]. + NOON of irrep B3u = [ 1.97507307248341 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00012132299252655 , 0.0447141469401735 , 0.838966994052813 , 0.790658960284927 , 0.317368561120135 , 9.24989500881902e-05 , 0.227634117207181 , 0.0907424583747722 , 0.299652804825181 , 0.133979297000425 ]. + Idistance(0) = 1.57215407889438 + Idistance(1) = 5.15805448307886 + Idistance(2) = 21.9866409903713 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.551638 seconds -*** |--> MPS gauge change = 0.542842 seconds -*** |--> Diagram calc = 0.119739 seconds -*** |--> Tensor update = 0.888307 seconds -*** |--> create = 0.045411 seconds -*** |--> destroy = 0.003735 seconds -*** |--> disk write = 0.023688 seconds -*** |--> disk read = 0.02023 seconds -*** |--> calc = 0.795121000000001 seconds -*** Disk write bandwidth = 70.1142259241559 MB/s -*** Disk read bandwidth = 82.0991489713992 MB/s +*** Elapsed wall time = 2.35343 seconds +*** |--> MPS gauge change = 0.787745 seconds +*** |--> Diagram calc = 0.177212 seconds +*** |--> Tensor update = 1.387383 seconds +*** |--> create = 0.106946 seconds +*** |--> destroy = 0.006317 seconds +*** |--> disk write = 0.037304 seconds +*** |--> disk read = 0.081642 seconds +*** |--> calc = 1.154846 seconds +*** Disk write bandwidth = 44.522458280383 MB/s +*** Disk read bandwidth = 20.3432765450553 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 = 0.307781 seconds -FCI::matvec : Wall time = 0.064808 seconds -FCI::matvec : Wall time = 3.293005 seconds -FCI::matvec : Wall time = 0.033508 seconds -FCI::matvec : Wall time = 0.077383 seconds -FCI::matvec : Wall time = 0.022214 seconds -FCI::matvec : Wall time = 0.099593 seconds -FCI::matvec : Wall time = 0.809775 seconds -FCI::matvec : Wall time = 0.741238 seconds -FCI::matvec : Wall time = 0.02318 seconds -FCI::matvec : Wall time = 0.018054 seconds -FCI::matvec : Wall time = 0.01491 seconds -FCI::matvec : Wall time = 0.030856 seconds -FCI::matvec : Wall time = 0.020802 seconds -FCI::matvec : Wall time = 0.024621 seconds -FCI::matvec : Wall time = 0.020498 seconds -FCI::matvec : Wall time = 0.022885 seconds -FCI::matvec : Wall time = 0.030403 seconds +FCI::matvec : Wall time = 36.464057 seconds +FCI::matvec : Wall time = 37.063786 seconds +FCI::matvec : Wall time = 38.507741 seconds +FCI::matvec : Wall time = 46.635833 seconds +FCI::matvec : Wall time = 55.051769 seconds +FCI::matvec : Wall time = 37.96774 seconds +FCI::matvec : Wall time = 36.123737 seconds +FCI::matvec : Wall time = 45.571787 seconds +FCI::matvec : Wall time = 53.0557 seconds +FCI::matvec : Wall time = 57.459747 seconds +FCI::matvec : Wall time = 56.528827 seconds +FCI::matvec : Wall time = 0.094698 seconds +FCI::matvec : Wall time = 0.021338 seconds +FCI::matvec : Wall time = 0.016102 seconds +FCI::matvec : Wall time = 0.015833 seconds +FCI::matvec : Wall time = 0.017008 seconds +FCI::matvec : Wall time = 0.016529 seconds +FCI::matvec : Wall time = 0.015771 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 @@ -3154,157 +3189,157 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 17 -Energy at sites (8, 9) is -99.5505406533569 - Stats: nIt(DAVIDSON) = 37 -Energy at sites (7, 8) is -106.362117860185 - Stats: nIt(DAVIDSON) = 51 -Energy at sites (6, 7) is -106.951533594704 - Stats: nIt(DAVIDSON) = 54 -Energy at sites (5, 6) is -107.185423999411 - Stats: nIt(DAVIDSON) = 44 -Energy at sites (4, 5) is -107.188594039766 - Stats: nIt(DAVIDSON) = 30 -Energy at sites (3, 4) is -107.199517167878 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (2, 3) is -107.199539012307 +Energy at sites (8, 9) is -104.550404640884 + Stats: nIt(DAVIDSON) = 31 +Energy at sites (7, 8) is -106.586078326789 + Stats: nIt(DAVIDSON) = 50 +Energy at sites (6, 7) is -106.951729917118 + Stats: nIt(DAVIDSON) = 61 +Energy at sites (5, 6) is -107.18354121998 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (4, 5) is -107.189841175639 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (3, 4) is -107.199454305584 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (2, 3) is -107.199478889342 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199539012307 +Energy at sites (1, 2) is -107.199478889342 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 4.143868 seconds -*** |--> S.join = 0.079829 seconds -*** |--> S.solve = 3.566359 seconds -*** |--> S.split = 0.193174 seconds -*** |--> Tensor update = 0.304248 seconds -*** |--> create = 0.019071 seconds -*** |--> destroy = 0.001872 seconds -*** |--> disk write = 0.011841 seconds -*** |--> disk read = 0.009564 seconds -*** |--> calc = 0.261868 seconds -*** Disk write bandwidth = 71.0395147405598 MB/s -*** Disk read bandwidth = 87.5737067796555 MB/s -*** Minimum energy = -107.199539012307 +*** Elapsed wall time = 0.401718 seconds +*** |--> S.join = 0.000708 seconds +*** |--> S.solve = 0.347071 seconds +*** |--> S.split = 0.002929 seconds +*** |--> Tensor update = 0.05086 seconds +*** |--> create = 0.019393 seconds +*** |--> destroy = 0.002092 seconds +*** |--> disk write = 0.011247 seconds +*** |--> disk read = 0.008883 seconds +*** |--> calc = 0.00922 seconds +*** Disk write bandwidth = 74.7914016220298 MB/s +*** Disk read bandwidth = 94.2873952088962 MB/s +*** Minimum energy = -107.199478889342 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199539012307 +Energy at sites (0, 1) is -107.199478889342 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199539012307 +Energy at sites (1, 2) is -107.199478889342 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199539012307 +Energy at sites (2, 3) is -107.199478889342 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199539017154 +Energy at sites (3, 4) is -107.199478895409 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.199550129642 - Stats: nIt(DAVIDSON) = 19 -Energy at sites (5, 6) is -107.199617282467 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (6, 7) is -107.199617302652 +Energy at sites (4, 5) is -107.199489287247 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (5, 6) is -107.199615763941 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (6, 7) is -107.199617212045 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617302653 +Energy at sites (7, 8) is -107.199617212045 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.276244 seconds -*** |--> S.join = 0.073353 seconds -*** |--> S.solve = 0.786841 seconds -*** |--> S.split = 0.161376 seconds -*** |--> Tensor update = 0.254493 seconds -*** |--> create = 0.019013 seconds -*** |--> destroy = 0.001832 seconds -*** |--> disk write = 0.010571 seconds -*** |--> disk read = 0.008158 seconds -*** |--> calc = 0.214892 seconds -*** Disk write bandwidth = 79.2313812922737 MB/s -*** Disk read bandwidth = 103.11092106435 MB/s -*** Minimum energy = -107.199617302653 +*** Elapsed wall time = 0.195952 seconds +*** |--> S.join = 0.008623 seconds +*** |--> S.solve = 0.133151 seconds +*** |--> S.split = 0.00277 seconds +*** |--> Tensor update = 0.051261 seconds +*** |--> create = 0.020233 seconds +*** |--> destroy = 0.002148 seconds +*** |--> disk write = 0.011797 seconds +*** |--> disk read = 0.00931 seconds +*** |--> calc = 0.00775 seconds +*** Disk write bandwidth = 70.9972816513203 MB/s +*** Disk read bandwidth = 90.3521905524134 MB/s +*** Minimum energy = -107.199617212045 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617302653 +*** Energy difference with respect to previous leftright sweep = 107.199617212045 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617302653 +Energy at sites (8, 9) is -107.199617212045 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617302653 +Energy at sites (7, 8) is -107.199617212045 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617302652 +Energy at sites (6, 7) is -107.199617212045 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (5, 6) is -107.199617213645 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.199617372166 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (3, 4) is -107.19961742095 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.199617302664 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.19961737824 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199617420642 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.199617421474 +Energy at sites (2, 3) is -107.199617421259 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421474 +Energy at sites (1, 2) is -107.199617421259 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.575635 seconds -*** |--> S.join = 0.090087 seconds -*** |--> S.solve = 0.848193 seconds -*** |--> S.split = 0.239971 seconds -*** |--> Tensor update = 0.397153 seconds -*** |--> create = 0.018415 seconds -*** |--> destroy = 0.001891 seconds -*** |--> disk write = 0.01091 seconds -*** |--> disk read = 0.008332 seconds -*** |--> calc = 0.357579 seconds -*** Disk write bandwidth = 77.1016401505929 MB/s -*** Disk read bandwidth = 100.522675424943 MB/s -*** Minimum energy = -107.199617421474 +*** Elapsed wall time = 0.096334 seconds +*** |--> S.join = 0.007862 seconds +*** |--> S.solve = 0.036896 seconds +*** |--> S.split = 0.002844 seconds +*** |--> Tensor update = 0.048594 seconds +*** |--> create = 0.019244 seconds +*** |--> destroy = 0.002304 seconds +*** |--> disk write = 0.012467 seconds +*** |--> disk read = 0.010078 seconds +*** |--> calc = 0.004473 seconds +*** Disk write bandwidth = 67.4724387617686 MB/s +*** Disk read bandwidth = 83.1072565628721 MB/s +*** Minimum energy = -107.199617421259 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617421474 +Energy at sites (0, 1) is -107.199617421259 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421474 +Energy at sites (1, 2) is -107.199617421259 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421474 +Energy at sites (2, 3) is -107.199617421259 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617421474 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617421528 +Energy at sites (3, 4) is -107.199617421259 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.199617421872 +Energy at sites (4, 5) is -107.199617421309 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (5, 6) is -107.199617421881 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617421872 +Energy at sites (6, 7) is -107.199617421881 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421872 +Energy at sites (7, 8) is -107.199617421881 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.380053 seconds -*** |--> S.join = 0.106595 seconds -*** |--> S.solve = 0.616145 seconds -*** |--> S.split = 0.252 seconds -*** |--> Tensor update = 0.405141 seconds -*** |--> create = 0.019082 seconds -*** |--> destroy = 0.001749 seconds -*** |--> disk write = 0.010119 seconds -*** |--> disk read = 0.008283 seconds -*** |--> calc = 0.365881 seconds -*** Disk write bandwidth = 82.7705239293038 MB/s -*** Disk read bandwidth = 101.554858631289 MB/s -*** Minimum energy = -107.199617421872 +*** Elapsed wall time = 0.065739 seconds +*** |--> S.join = 0.000695 seconds +*** |--> S.solve = 0.013578 seconds +*** |--> S.split = 0.002707 seconds +*** |--> Tensor update = 0.048634 seconds +*** |--> create = 0.020786 seconds +*** |--> destroy = 0.00228 seconds +*** |--> disk write = 0.010649 seconds +*** |--> disk read = 0.009965 seconds +*** |--> calc = 0.004935 seconds +*** Disk write bandwidth = 78.6510406273476 MB/s +*** Disk read bandwidth = 84.4133360805789 MB/s +*** Minimum energy = -107.199617421881 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.19219578209595e-07 +*** Energy difference with respect to previous leftright sweep = 2.09836457543133e-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 = -107.199617421872 -*** Minimum energy encountered during the last sweep = -107.199617421872 +*** Minimum energy encountered during all instructions = -107.199617421881 +*** Minimum energy encountered during the last sweep = -107.199617421881 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.199617421883 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (7, 8) is -107.199617421892 +Energy at sites (8, 9) is -107.199617421886 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (7, 8) is -107.199617421891 Stats: nIt(DAVIDSON) = 17 -Energy at sites (6, 7) is -107.199617421906 +Energy at sites (6, 7) is -107.199617421898 Stats: nIt(DAVIDSON) = 24 -Energy at sites (5, 6) is -107.199617421915 +Energy at sites (5, 6) is -107.199617421911 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.199617421914 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.199617421917 - Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.199617421918 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.199617421919 @@ -3312,18 +3347,18 @@ Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 2.951855 seconds -*** |--> S.join = 0.092803 seconds -*** |--> S.solve = 2.260186 seconds -*** |--> S.split = 0.228046 seconds -*** |--> Tensor update = 0.37056 seconds -*** |--> create = 0.018748 seconds -*** |--> destroy = 0.001894 seconds -*** |--> disk write = 0.011591 seconds -*** |--> disk read = 0.016884 seconds -*** |--> calc = 0.321401 seconds -*** Disk write bandwidth = 72.571727550942 MB/s -*** Disk read bandwidth = 49.6064280763223 MB/s +*** Elapsed wall time = 0.420258 seconds +*** |--> S.join = 0.007155 seconds +*** |--> S.solve = 0.323013 seconds +*** |--> S.split = 0.023904 seconds +*** |--> Tensor update = 0.065993 seconds +*** |--> create = 0.01988 seconds +*** |--> destroy = 0.002128 seconds +*** |--> disk write = 0.011107 seconds +*** |--> disk read = 0.008821 seconds +*** |--> calc = 0.024027 seconds +*** Disk write bandwidth = 75.7341220890401 MB/s +*** Disk read bandwidth = 94.9501112845057 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3333,11 +3368,11 @@ Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 - Stats: nIt(DAVIDSON) = 5 + Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.199617421919 - Stats: nIt(DAVIDSON) = 18 + Stats: nIt(DAVIDSON) = 19 Energy at sites (5, 6) is -107.199617421919 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.199617421919 @@ -3345,21 +3380,21 @@ Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.548372 seconds -*** |--> S.join = 0.071175 seconds -*** |--> S.solve = 0.992649 seconds -*** |--> S.split = 0.188278 seconds -*** |--> Tensor update = 0.295987 seconds -*** |--> create = 0.019761 seconds -*** |--> destroy = 0.001872 seconds -*** |--> disk write = 0.011342 seconds -*** |--> disk read = 0.010036 seconds -*** |--> calc = 0.252938 seconds -*** Disk write bandwidth = 73.8454356939363 MB/s -*** Disk read bandwidth = 83.8161512597617 MB/s +*** Elapsed wall time = 0.301485 seconds +*** |--> S.join = 0.007765 seconds +*** |--> S.solve = 0.231562 seconds +*** |--> S.split = 0.00302 seconds +*** |--> Tensor update = 0.058996 seconds +*** |--> create = 0.020902 seconds +*** |--> destroy = 0.00207100000000007 seconds +*** |--> disk write = 0.012162 seconds +*** |--> disk read = 0.008911 seconds +*** |--> calc = 0.014919 seconds +*** Disk write bandwidth = 68.8665459332861 MB/s +*** Disk read bandwidth = 94.3978110249095 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.66684468847234e-11 +*** Energy difference with respect to previous leftright sweep = 3.75734998669941e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3373,55 +3408,55 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 - NOON of irrep Ag = [ 1.99998814651089 , 1.9892404156567 , 1.8768785798597 ]. - NOON of irrep B2g = [ 0.139387811547524 ]. - NOON of irrep B3g = [ 1.03112739697669 ]. - NOON of irrep B1u = [ 1.99999431244151 , 1.1083916407907 , 0.0211636956589595 ]. - NOON of irrep B2u = [ 1.96715797354816 ]. - NOON of irrep B3u = [ 1.86667002700917 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980006336117 , 0.0818410215123454 , 0.449623198437736 , 0.486645056263535 , 0.811029482183645 , 6.68868115709085e-05 , 0.962046613788831 , 0.112095070252244 , 0.167176150475445 , 0.475082461787007 ]. - Idistance(0) = 2.38445939493549 - Idistance(1) = 9.57998275103623 - Idistance(2) = 47.8783647406083 + Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421918 + NOON of irrep Ag = [ 1.99998814651166 , 1.98924041568609 , 1.8768785802258 ]. + NOON of irrep B2g = [ 0.139387811255073 ]. + NOON of irrep B3g = [ 1.03112739673592 ]. + NOON of irrep B1u = [ 1.99999431244149 , 1.10839164037368 , 0.0211636956838261 ]. + NOON of irrep B2u = [ 1.96715797377223 ]. + NOON of irrep B3u = [ 1.86667002731423 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149979996527771 , 0.0818410214685858 , 0.449623197353237 , 0.486645055510128 , 0.81102948154824 , 6.68868117161261e-05 , 0.962046613207508 , 0.112095070392903 , 0.167176149543797 , 0.475082461001068 ]. + Idistance(0) = 2.38445939217434 + Idistance(1) = 9.57998273723545 + Idistance(2) = 47.8783646657024 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.614417 seconds -*** |--> MPS gauge change = 0.516295 seconds -*** |--> Diagram calc = 0.122364 seconds -*** |--> Tensor update = 0.974834 seconds -*** |--> create = 0.049128 seconds -*** |--> destroy = 0.004389 seconds -*** |--> disk write = 0.030017 seconds -*** |--> disk read = 0.034376 seconds -*** |--> calc = 0.856713000000001 seconds -*** Disk write bandwidth = 56.8228113932053 MB/s -*** Disk read bandwidth = 49.6174752615151 MB/s +*** Elapsed wall time = 0.159016 seconds +*** |--> MPS gauge change = 0.023886 seconds +*** |--> Diagram calc = 0.018402 seconds +*** |--> Tensor update = 0.115848 seconds +*** |--> create = 0.046305 seconds +*** |--> destroy = 0.004191 seconds +*** |--> disk write = 0.031365 seconds +*** |--> disk read = 0.020124 seconds +*** |--> calc = 0.013738 seconds +*** Disk write bandwidth = 54.3806896091135 MB/s +*** Disk read bandwidth = 84.7570229372811 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 = 1.999887 seconds -FCI::matvec : Wall time = 0.128509 seconds -FCI::matvec : Wall time = 0.06079 seconds -FCI::matvec : Wall time = 9.955988 seconds -FCI::matvec : Wall time = 0.02144 seconds -FCI::matvec : Wall time = 0.322001 seconds -FCI::matvec : Wall time = 0.021144 seconds -FCI::matvec : Wall time = 0.047352 seconds -FCI::matvec : Wall time = 0.030605 seconds -FCI::matvec : Wall time = 0.184942 seconds -FCI::matvec : Wall time = 2.077665 seconds -FCI::matvec : Wall time = 0.01852 seconds -FCI::matvec : Wall time = 0.015002 seconds -FCI::matvec : Wall time = 0.015782 seconds -FCI::matvec : Wall time = 0.013897 seconds -FCI::matvec : Wall time = 0.016159 seconds -FCI::matvec : Wall time = 0.013953 seconds -FCI::matvec : Wall time = 0.015972 seconds -FCI::matvec : Wall time = 0.078969 seconds -FCI::matvec : Wall time = 0.021222 seconds -FCI::matvec : Wall time = 0.031172 seconds +FCI::matvec : Wall time = 0.034064 seconds +FCI::matvec : Wall time = 0.036336 seconds +FCI::matvec : Wall time = 0.408602 seconds +FCI::matvec : Wall time = 0.015852 seconds +FCI::matvec : Wall time = 0.016064 seconds +FCI::matvec : Wall time = 0.084391 seconds +FCI::matvec : Wall time = 0.016944 seconds +FCI::matvec : Wall time = 0.016428 seconds +FCI::matvec : Wall time = 0.016199 seconds +FCI::matvec : Wall time = 0.099597 seconds +FCI::matvec : Wall time = 0.015946 seconds +FCI::matvec : Wall time = 0.01576 seconds +FCI::matvec : Wall time = 0.017252 seconds +FCI::matvec : Wall time = 0.015644 seconds +FCI::matvec : Wall time = 0.016349 seconds +FCI::matvec : Wall time = 0.015803 seconds +FCI::matvec : Wall time = 0.015891 seconds +FCI::matvec : Wall time = 0.016789 seconds +FCI::matvec : Wall time = 0.016621 seconds +FCI::matvec : Wall time = 0.015755 seconds +FCI::matvec : Wall time = 0.015796 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 @@ -3441,7 +3476,7 @@ debian/rules override_dh_auto_install make[1]: Entering directory '/build/chemps2-1.8.9' dh_auto_install - cd obj-x86_64-linux-gnu && make -j16 install DESTDIR=/build/chemps2-1.8.9/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-x86_64-linux-gnu && make -j15 install DESTDIR=/build/chemps2-1.8.9/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' @@ -3469,6 +3504,7 @@ make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' +[ 69%] Built target test7 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' @@ -3480,24 +3516,23 @@ make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 69%] Built target test7 make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' -[ 71%] Built target test5 -[ 73%] Built target test12 -[ 76%] Built target test3 -[ 78%] Built target test4 -[ 80%] Built target test11 -[ 82%] Built target test9 -[ 84%] Built target test1 -[ 86%] Built target test14 -[ 90%] Built target test2 -[ 91%] Built target chemps2-bin -[ 93%] Built target test10 -[ 95%] Built target test6 -[ 97%] Built target test8 -[100%] Built target test13 +[ 71%] Built target test2 +[ 73%] Built target test5 +[ 76%] Built target test4 +[ 78%] Built target test3 +[ 80%] Built target test14 +[ 82%] Built target chemps2-bin +[ 84%] Built target test12 +[ 86%] Built target test10 +[ 89%] Built target test8 +[ 91%] Built target test6 +[ 93%] Built target test1 +[ 95%] Built target test9 +[ 97%] Built target test13 +[100%] Built target test11 make[3]: Leaving directory '/build/chemps2-1.8.9/obj-x86_64-linux-gnu' Install the project... -- Install configuration: "release" @@ -3597,70 +3632,70 @@ dh_fixperms dh_missing dh_strip -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/CASPT2.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/CASSCF.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/CASSCFdebug.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/CASSCFpt2.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/ConjugateGradient.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/ConvergenceScheme.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Correlations.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Cumulant.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Davidson.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DIIS.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRG.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGfock.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGmpsio.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGoperators.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGSCFindices.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGSCFoptions.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGSCFrotations.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGSCFunitary.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/DMRGtechnics.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Excitation.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/FCI.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/FourIndex.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Hamiltonian.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Heff.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/HeffDiagonal.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/HeffDiagrams1.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/HeffDiagrams2.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/HeffDiagrams3.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/HeffDiagrams4.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/HeffDiagrams5.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Initialize.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Irreps.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Molden.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/PrintLicense.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Problem.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Sobject.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/SyBookkeeper.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Tensor3RDM.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorF0.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorF1.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorGYZ.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorKM.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorL.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorO.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorOperator.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorQ.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorS0.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorS1.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorT.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TensorX.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/ThreeDM.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TwoDM.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/TwoIndex.cpp.o: plugin needed to handle lto object -strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stOT5i8l/Wigner.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/CASPT2.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/CASSCF.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/CASSCFdebug.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/CASSCFpt2.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/ConjugateGradient.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/ConvergenceScheme.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Correlations.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Cumulant.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Davidson.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DIIS.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRG.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGfock.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGmpsio.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGoperators.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGSCFindices.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGSCFoptions.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGSCFrotations.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGSCFunitary.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/DMRGtechnics.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Excitation.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/FCI.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/FourIndex.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Hamiltonian.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Heff.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/HeffDiagonal.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/HeffDiagrams1.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/HeffDiagrams2.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/HeffDiagrams3.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/HeffDiagrams4.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/HeffDiagrams5.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Initialize.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Irreps.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Molden.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/PrintLicense.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Problem.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Sobject.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/SyBookkeeper.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Tensor3RDM.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorF0.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorF1.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorGYZ.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorKM.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorL.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorO.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorOperator.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorQ.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorS0.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorS1.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorT.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TensorX.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/ThreeDM.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TwoDM.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/TwoIndex.cpp.o: plugin needed to handle lto object +strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st5Z8429/Wigner.cpp.o: plugin needed to handle lto object dh_makeshlibs dpkg-gensymbols: warning: debian/libchemps2-3/DEBIAN/symbols doesn't match completely debian/libchemps2-3.symbols --- debian/libchemps2-3.symbols (libchemps2-3_1.8.9-1_amd64) -+++ dpkg-gensymbolsIUmoPC 2023-01-02 07:14:11.851200993 -1200 ++++ dpkg-gensymbolsK84Q0Q 2021-12-01 04:08:59.200648513 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3717,38 +3752,38 @@ dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-3/usr/lib/x86_64-linux-gnu/libchemps2.so.3 was not linked against libdl.so.2 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-3/usr/lib/x86_64-linux-gnu/libchemps2.so.3 was not linked against libz.so.1 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-3/usr/lib/x86_64-linux-gnu/libchemps2.so.3 was not linked against libsz.so.2 (it uses none of the library's symbols) -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libdl.so.2 (it uses none of the library's symbols) -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libgomp.so.1 (it uses none of the library's symbols) -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libz.so.1 (it uses none of the library's symbols) -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libblas.so.3 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libsz.so.2 (it uses none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libgomp.so.1 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against liblapack.so.3 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libhdf5_serial.so.103 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libpthread.so.0 (it uses none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libz.so.1 (it uses none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libblas.so.3 (it uses none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libdl.so.2 (it uses none of the library's symbols) dh_installdeb dh_gencontrol -dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined -dpkg-gencontrol: warning: package libchemps2-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined +dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined +dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Provides} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Versions} unused, but is defined +dpkg-gencontrol: warning: package chemps2: 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 chemps2-doc: 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: package chemps2: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Provides} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Versions} unused, but is defined -dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb -dpkg-deb: building package 'libchemps2-3' in '../libchemps2-3_1.8.9-1_amd64.deb'. dpkg-deb: building package 'libchemps2-3-dbgsym' in '../libchemps2-3-dbgsym_1.8.9-1_amd64.deb'. dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.9-1_all.deb'. -dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.9-1_amd64.deb'. -dpkg-deb: building package 'chemps2' in '../chemps2_1.8.9-1_amd64.deb'. dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.9-1_amd64.deb'. +dpkg-deb: building package 'chemps2' in '../chemps2_1.8.9-1_amd64.deb'. dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.9-1_amd64.deb'. dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.9-1_amd64.deb'. +dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.9-1_amd64.deb'. +dpkg-deb: building package 'libchemps2-3' in '../libchemps2-3_1.8.9-1_amd64.deb'. dpkg-genbuildinfo --build=binary dpkg-genchanges --build=binary >../chemps2_1.8.9-1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -3756,12 +3791,14 @@ 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/2042328/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2042328/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/3813601 and its subdirectories -I: Current time: Mon Jan 2 07:14:24 -12 2023 -I: pbuilder-time-stamp: 1672686864 +I: removing directory /srv/workspace/pbuilder/2042328 and its subdirectories +I: Current time: Wed Dec 1 04:10:32 +14 2021 +I: pbuilder-time-stamp: 1638281432