RUN: /usr/share/launchpad-buildd/slavebin/slave-prep ['slave-prep'] Forking launchpad-buildd slave process... Kernel version: Linux bos01-arm64-008 4.4.0-78-generic #99-Ubuntu SMP Thu Apr 27 15:29:21 UTC 2017 aarch64 Buildd toolchain package versions: launchpad-buildd_144 python-lpbuildd_144 sbuild_0.67.0-2ubuntu7 bzr-builder_0.7.3+bzr174~ppa13~ubuntu14.10.1 bzr_2.7.0-2ubuntu3 git-build-recipe_0.3.4~git201611291343.dcee459~ubuntu16.04.1 git_1:2.7.4-0ubuntu1.1 dpkg-dev_1.18.4ubuntu1.2 python-debian_0.1.27ubuntu2 qemu-user-static_1:2.5+dfsg-5ubuntu10.14. Syncing the system clock with the buildd NTP service... 24 May 06:05:36 ntpdate[1823]: adjust time server 10.211.37.1 offset 0.017611 sec RUN: /usr/share/launchpad-buildd/slavebin/unpack-chroot ['unpack-chroot', 'PACKAGEBUILD-12630011', '/home/buildd/filecache-default/393420d2b09d3fd212076c1e7bb21902ac116e2c'] Unpacking chroot for build PACKAGEBUILD-12630011 RUN: /usr/share/launchpad-buildd/slavebin/mount-chroot ['mount-chroot', 'PACKAGEBUILD-12630011'] Mounting chroot for build PACKAGEBUILD-12630011 RUN: /usr/share/launchpad-buildd/slavebin/override-sources-list ['override-sources-list', 'PACKAGEBUILD-12630011', 'deb http://ftpmaster.internal/ubuntu artful main universe', 'deb http://ftpmaster.internal/ubuntu artful-security main universe', 'deb http://ftpmaster.internal/ubuntu artful-updates main universe', 'deb http://ftpmaster.internal/ubuntu artful-proposed main universe'] Overriding sources.list in build-PACKAGEBUILD-12630011 RUN: /usr/share/launchpad-buildd/slavebin/update-debian-chroot ['update-debian-chroot', 'PACKAGEBUILD-12630011', 'arm64'] Updating debian chroot for build PACKAGEBUILD-12630011 Get:1 http://ftpmaster.internal/ubuntu artful InRelease [237 kB] Get:2 http://ftpmaster.internal/ubuntu artful-security InRelease [65.5 kB] Get:3 http://ftpmaster.internal/ubuntu artful-updates InRelease [65.5 kB] Get:4 http://ftpmaster.internal/ubuntu artful-proposed InRelease [235 kB] Get:5 http://ftpmaster.internal/ubuntu artful/main arm64 Packages [1132 kB] Get:6 http://ftpmaster.internal/ubuntu artful/main Translation-en [566 kB] Get:7 http://ftpmaster.internal/ubuntu artful/universe arm64 Packages [8011 kB] Get:8 http://ftpmaster.internal/ubuntu artful/universe Translation-en [4751 kB] Get:9 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 Packages [69.0 kB] Get:10 http://ftpmaster.internal/ubuntu artful-proposed/main Translation-en [35.0 kB] Get:11 http://ftpmaster.internal/ubuntu artful-proposed/universe arm64 Packages [115 kB] Get:12 http://ftpmaster.internal/ubuntu artful-proposed/universe Translation-en [72.2 kB] Fetched 15.4 MB in 6s (2413 kB/s) Reading package lists... Reading package lists... Building dependency tree... Reading state information... Calculating upgrade... The following NEW packages will be installed: gcc-7-base The following packages will be upgraded: advancecomp apt apt-transport-https bash binutils cpp-6 debianutils dmsetup dpkg dpkg-dev g++-6 gcc-6 gcc-6-base init init-system-helpers libapparmor1 libapt-pkg5.0 libasan3 libasn1-8-heimdal libatomic1 libaudit-common libaudit1 libcc1-0 libdevmapper1.02.1 libdpkg-perl libgcc-6-dev libgcc1 libgnutls30 libgomp1 libgssapi3-heimdal libhcrypto4-heimdal libheimbase1-heimdal libheimntlm0-heimdal libhx509-5-heimdal libitm1 libkmod2 libkrb5-26-heimdal libroken18-heimdal libselinux1 libsemanage-common libsemanage1 libssl1.0.0 libstdc++-6-dev libstdc++6 libsystemd0 libubsan0 libudev1 libusb-0.1-4 libwind0-heimdal linux-libc-dev login openssl passwd systemd systemd-sysv 55 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. Need to get 33.9 MB of archives. After this operation, 649 kB of additional disk space will be used. Get:1 http://ftpmaster.internal/ubuntu artful/main arm64 debianutils arm64 4.8.1.1 [84.8 kB] Get:2 http://ftpmaster.internal/ubuntu artful/main arm64 bash arm64 4.4-5ubuntu1 [543 kB] Get:3 http://ftpmaster.internal/ubuntu artful/main arm64 dpkg arm64 1.18.23ubuntu7 [1089 kB] Get:4 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 login arm64 1:4.2-3.2ubuntu2 [298 kB] Get:5 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 init-system-helpers all 1.48 [37.8 kB] Get:6 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 gcc-7-base arm64 7.1.0-6ubuntu1 [18.7 kB] Get:7 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libgcc1 arm64 1:7.1.0-6ubuntu1 [33.4 kB] Get:8 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libstdc++6 arm64 7.1.0-6ubuntu1 [384 kB] Get:9 http://ftpmaster.internal/ubuntu artful/main arm64 libapt-pkg5.0 arm64 1.4.4 [719 kB] Get:10 http://ftpmaster.internal/ubuntu artful/main arm64 apt arm64 1.4.4 [1068 kB] Get:11 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libapparmor1 arm64 2.11.0-2ubuntu7 [26.7 kB] Get:12 http://ftpmaster.internal/ubuntu artful/main arm64 libaudit-common all 1:2.6.6-1ubuntu2 [4626 B] Get:13 http://ftpmaster.internal/ubuntu artful/main arm64 libaudit1 arm64 1:2.6.6-1ubuntu2 [35.0 kB] Get:14 http://ftpmaster.internal/ubuntu artful/main arm64 libkmod2 arm64 24-1ubuntu1 [31.7 kB] Get:15 http://ftpmaster.internal/ubuntu artful/main arm64 libselinux1 arm64 2.6-3build1 [55.5 kB] Get:16 http://ftpmaster.internal/ubuntu artful/main arm64 systemd arm64 233-6ubuntu3 [2116 kB] Get:17 http://ftpmaster.internal/ubuntu artful/main arm64 libsystemd0 arm64 233-6ubuntu3 [171 kB] Get:18 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 init arm64 1.48 [5806 B] Get:19 http://ftpmaster.internal/ubuntu artful/main arm64 systemd-sysv arm64 233-6ubuntu3 [13.0 kB] Get:20 http://ftpmaster.internal/ubuntu artful/main arm64 libsemanage-common all 2.6-2build1 [6738 B] Get:21 http://ftpmaster.internal/ubuntu artful/main arm64 libsemanage1 arm64 2.6-2build1 [67.1 kB] Get:22 http://ftpmaster.internal/ubuntu artful/main arm64 libudev1 arm64 233-6ubuntu3 [47.9 kB] Get:23 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 passwd arm64 1:4.2-3.2ubuntu2 [735 kB] Get:24 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libdevmapper1.02.1 arm64 2:1.02.137-2ubuntu2 [109 kB] Get:25 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 dmsetup arm64 2:1.02.137-2ubuntu2 [64.8 kB] Get:26 http://ftpmaster.internal/ubuntu artful/main arm64 libroken18-heimdal arm64 7.1.0+dfsg-13 [34.3 kB] Get:27 http://ftpmaster.internal/ubuntu artful/main arm64 libasn1-8-heimdal arm64 7.1.0+dfsg-13 [127 kB] Get:28 http://ftpmaster.internal/ubuntu artful/main arm64 libgnutls30 arm64 3.5.8-5ubuntu1 [561 kB] Get:29 http://ftpmaster.internal/ubuntu artful/main arm64 libheimbase1-heimdal arm64 7.1.0+dfsg-13 [24.1 kB] Get:30 http://ftpmaster.internal/ubuntu artful/main arm64 libhcrypto4-heimdal arm64 7.1.0+dfsg-13 [74.2 kB] Get:31 http://ftpmaster.internal/ubuntu artful/main arm64 libwind0-heimdal arm64 7.1.0+dfsg-13 [46.9 kB] Get:32 http://ftpmaster.internal/ubuntu artful/main arm64 libhx509-5-heimdal arm64 7.1.0+dfsg-13 [86.8 kB] Get:33 http://ftpmaster.internal/ubuntu artful/main arm64 libkrb5-26-heimdal arm64 7.1.0+dfsg-13 [166 kB] Get:34 http://ftpmaster.internal/ubuntu artful/main arm64 libheimntlm0-heimdal arm64 7.1.0+dfsg-13 [13.3 kB] Get:35 http://ftpmaster.internal/ubuntu artful/main arm64 libgssapi3-heimdal arm64 7.1.0+dfsg-13 [77.3 kB] Get:36 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libssl1.0.0 arm64 1.0.2g-1ubuntu13 [702 kB] Get:37 http://ftpmaster.internal/ubuntu artful/main arm64 apt-transport-https arm64 1.4.4 [30.9 kB] Get:38 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 openssl arm64 1.0.2g-1ubuntu13 [470 kB] Get:39 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 advancecomp arm64 1.23-1 [169 kB] Get:40 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 binutils arm64 2.28-5ubuntu1 [2552 kB] Get:41 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libgomp1 arm64 7.1.0-6ubuntu1 [62.1 kB] Get:42 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libitm1 arm64 7.1.0-6ubuntu1 [25.4 kB] Get:43 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libubsan0 arm64 7.1.0-6ubuntu1 [111 kB] Get:44 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libatomic1 arm64 7.1.0-6ubuntu1 [6618 B] Get:45 http://ftpmaster.internal/ubuntu artful/main arm64 libasan3 arm64 6.3.0-18ubuntu2 [275 kB] Get:46 http://ftpmaster.internal/ubuntu artful/main arm64 g++-6 arm64 6.3.0-18ubuntu2 [5884 kB] Get:47 http://ftpmaster.internal/ubuntu artful/main arm64 libstdc++-6-dev arm64 6.3.0-18ubuntu2 [1394 kB] Get:48 http://ftpmaster.internal/ubuntu artful/main arm64 gcc-6 arm64 6.3.0-18ubuntu2 [5780 kB] Get:49 http://ftpmaster.internal/ubuntu artful/main arm64 libgcc-6-dev arm64 6.3.0-18ubuntu2 [560 kB] Get:50 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libcc1-0 arm64 7.1.0-6ubuntu1 [35.3 kB] Get:51 http://ftpmaster.internal/ubuntu artful/main arm64 cpp-6 arm64 6.3.0-18ubuntu2 [5147 kB] Get:52 http://ftpmaster.internal/ubuntu artful/main arm64 gcc-6-base arm64 6.3.0-18ubuntu2 [17.2 kB] Get:53 http://ftpmaster.internal/ubuntu artful/main arm64 dpkg-dev all 1.18.23ubuntu7 [607 kB] Get:54 http://ftpmaster.internal/ubuntu artful/main arm64 libdpkg-perl all 1.18.23ubuntu7 [209 kB] Get:55 http://ftpmaster.internal/ubuntu artful/main arm64 libusb-0.1-4 arm64 2:0.1.12-31 [15.0 kB] Get:56 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 linux-libc-dev arm64 4.10.0-21.23 [885 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 33.9 MB in 1s (18.9 MB/s) (Reading database ... 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Unpacking libsystemd0:arm64 (233-6ubuntu3) over (232-21ubuntu3) ... Setting up libsystemd0:arm64 (233-6ubuntu3) ... (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 ... 12383 files and directories currently installed.) Preparing to unpack .../archives/init_1.48_arm64.deb ... Unpacking init (1.48) over (1.47) ... Setting up libapparmor1:arm64 (2.11.0-2ubuntu7) ... Setting up libkmod2:arm64 (24-1ubuntu1) ... Setting up systemd (233-6ubuntu3) ... Installing new version of config file /etc/systemd/resolved.conf ... addgroup: The group `systemd-journal' already exists as a system group. Exiting. Removing obsolete conffile /etc/dbus-1/system.d/org.freedesktop.hostname1.conf ... Removing obsolete conffile /etc/dbus-1/system.d/org.freedesktop.locale1.conf ... Removing obsolete conffile /etc/dbus-1/system.d/org.freedesktop.login1.conf ... Removing obsolete conffile /etc/dbus-1/system.d/org.freedesktop.network1.conf ... Removing obsolete conffile /etc/dbus-1/system.d/org.freedesktop.resolve1.conf ... Removing obsolete conffile /etc/dbus-1/system.d/org.freedesktop.systemd1.conf ... Removing obsolete conffile /etc/dbus-1/system.d/org.freedesktop.timedate1.conf ... (Reading database ... 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Setting up g++-6 (6.3.0-18ubuntu2) ... Setting up dpkg-dev (1.18.23ubuntu7) ... Setting up libkrb5-26-heimdal:arm64 (7.1.0+dfsg-13) ... Setting up libheimntlm0-heimdal:arm64 (7.1.0+dfsg-13) ... Setting up libgssapi3-heimdal:arm64 (7.1.0+dfsg-13) ... Processing triggers for libc-bin (2.24-9ubuntu2) ... RUN: /usr/share/launchpad-buildd/slavebin/sbuild-package ['sbuild-package', 'PACKAGEBUILD-12630011', 'arm64', 'artful-proposed', '-c', 'chroot:autobuild', '--arch=arm64', '--dist=artful-proposed', '--purge=never', '--nolog', 'chemps2_1.8.4-1.dsc'] Initiating build PACKAGEBUILD-12630011 with 4 jobs across 4 processor cores. Kernel reported to sbuild: 4.4.0-78-generic #99-Ubuntu SMP Thu Apr 27 15:29:21 UTC 2017 aarch64 sbuild (Debian sbuild) 0.67.0 (26 Dec 2015) on bos01-arm64-008.buildd +==============================================================================+ | chemps2 1.8.4-1 (arm64) 24 May 2017 06:06 | +==============================================================================+ Package: chemps2 Version: 1.8.4-1 Source Version: 1.8.4-1 Distribution: artful-proposed Machine Architecture: arm64 Host Architecture: arm64 Build Architecture: arm64 I: NOTICE: Log filtering will replace 'build/chemps2-z1MMS9/chemps2-1.8.4' with '<>' I: NOTICE: Log filtering will replace 'build/chemps2-z1MMS9' with '<>' I: NOTICE: Log filtering will replace 'home/buildd/build-PACKAGEBUILD-12630011/chroot-autobuild' with '<>' +------------------------------------------------------------------------------+ | Fetch source files | +------------------------------------------------------------------------------+ Local sources ------------- chemps2_1.8.4-1.dsc exists in .; copying to chroot Check architectures ------------------- Check dependencies ------------------ Merged Build-Depends: build-essential, fakeroot Filtered Build-Depends: build-essential, fakeroot dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/<>/resolver-tG8y01/apt_archive/sbuild-build-depends-core-dummy.deb'. Ign:1 copy:/<>/resolver-tG8y01/apt_archive ./ InRelease Get:2 copy:/<>/resolver-tG8y01/apt_archive ./ Release [2119 B] Ign:3 copy:/<>/resolver-tG8y01/apt_archive ./ Release.gpg Get:4 copy:/<>/resolver-tG8y01/apt_archive ./ Sources [214 B] Get:5 copy:/<>/resolver-tG8y01/apt_archive ./ Packages [529 B] Fetched 2862 B in 0s (71.3 kB/s) Reading package lists... Reading package lists... +------------------------------------------------------------------------------+ | Install core build dependencies (apt-based resolver) | +------------------------------------------------------------------------------+ Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following NEW packages will be installed: sbuild-build-depends-core-dummy 0 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. Need to get 778 B of archives. After this operation, 0 B of additional disk space will be used. Get:1 copy:/<>/resolver-tG8y01/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [778 B] debconf: delaying package configuration, since apt-utils is not installed Fetched 778 B in 0s (0 B/s) Selecting previously unselected package sbuild-build-depends-core-dummy. (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 ... 12381 files and directories currently installed.) Preparing to unpack .../sbuild-build-depends-core-dummy_0.invalid.0_arm64.deb ... Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ... Setting up sbuild-build-depends-core-dummy (0.invalid.0) ... Merged Build-Depends: debhelper (>= 9), cmake (>= 2.8.11), libblas-dev, liblapack-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore Filtered Build-Depends: debhelper (>= 9), cmake (>= 2.8.11), libblas-dev, liblapack-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore dpkg-deb: building package 'sbuild-build-depends-chemps2-dummy' in '/<>/resolver-WUNCT0/apt_archive/sbuild-build-depends-chemps2-dummy.deb'. Ign:1 copy:/<>/resolver-WUNCT0/apt_archive ./ InRelease Get:2 copy:/<>/resolver-WUNCT0/apt_archive ./ Release [2119 B] Ign:3 copy:/<>/resolver-WUNCT0/apt_archive ./ Release.gpg Get:4 copy:/<>/resolver-WUNCT0/apt_archive ./ Sources [322 B] Get:5 copy:/<>/resolver-WUNCT0/apt_archive ./ Packages [645 B] Fetched 3086 B in 0s (60.8 kB/s) Reading package lists... Reading package lists... +------------------------------------------------------------------------------+ | Install chemps2 build dependencies (apt-based resolver) | +------------------------------------------------------------------------------+ Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following additional packages will be installed: autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism docutils-common file fonts-mathjax gettext gettext-base gfortran gfortran-6 groff-base hdf5-helpers intltool-debian libaec-dev libaec0 libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libbsd0 libcroco3 libcurl3 libexpat1 libexpat1-dev libfile-stripnondeterminism-perl libgfortran-6-dev libgfortran3 libglib2.0-0 libhdf5-100 libhdf5-cpp-100 libhdf5-dev libicu57 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1 liblapack-dev liblapack3 liblzo2-2 libmagic-mgc libmagic1 libmpdec2 libpipeline1 libpython-dev libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib libpython3-stdlib libpython3.5-minimal libpython3.5-stdlib librhash0 libsigsegv2 libsz2 libtimedate-perl libtool libuv1 libxml2 m4 man-db mime-support po-debconf python python-alabaster python-all python-babel python-babel-localedata python-chardet python-docutils python-imagesize python-jinja2 python-markupsafe python-minimal python-numpy python-pkg-resources python-pygments python-requests python-roman python-setuptools python-six python-sphinx python-tz python-urllib3 python2.7 python2.7-minimal python3 python3-minimal python3.5 python3.5-minimal sgml-base sphinx-common xml-core zlib1g-dev Suggested packages: autoconf-archive gnu-standards autoconf-doc wamerican | wordlist whois vacation codeblocks eclipse ninja-build cython-doc dh-make gettext-doc libasprintf-dev libgettextpo-dev gfortran-doc gfortran-6-doc libgfortran3-dbg libcoarrays-dev groff lrzip liblapack-doc-man liblapack-doc libhdf5-doc fonts-mathjax-extras fonts-stix libjs-mathjax-doc libtool-doc gcj-jdk m4-doc less www-browser libmail-box-perl python-doc python-tk fonts-linuxlibertine | ttf-linux-libertine texlive-lang-french texlive-latex-base texlive-latex-recommended python-jinja2-doc python-dev python-nose python-numpy-dbg python-numpy-doc ttf-bitstream-vera python-cryptography python-idna python-openssl python-socks python-setuptools-doc python-sphinx-rtd-theme dvipng texlive-latex-extra texlive-fonts-recommended texlive-generic-extra sphinx-doc python-ntlm python2.7-doc binfmt-support python3-doc python3-tk python3-venv python3.5-venv python3.5-doc sgml-base-doc Recommended packages: python-dev curl | wget | lynx-cur libglib2.0-data shared-mime-info xdg-user-dirs javascript-common libltdl-dev libmail-sendmail-perl docutils-doc libpaper-utils python-pil python-enum34 python-cryptography python-idna python-ipaddress python-openssl The following packages will be REMOVED: pkg-create-dbgsym* The following NEW packages will be installed: autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism docutils-common file fonts-mathjax gettext gettext-base gfortran gfortran-6 groff-base hdf5-helpers intltool-debian libaec-dev libaec0 libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libbsd0 libcroco3 libcurl3 libexpat1 libexpat1-dev libfile-stripnondeterminism-perl libgfortran-6-dev libgfortran3 libglib2.0-0 libhdf5-100 libhdf5-cpp-100 libhdf5-dev libicu57 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1 liblapack-dev liblapack3 liblzo2-2 libmagic-mgc libmagic1 libmpdec2 libpipeline1 libpython-dev libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib libpython3-stdlib libpython3.5-minimal libpython3.5-stdlib librhash0 libsigsegv2 libsz2 libtimedate-perl libtool libuv1 libxml2 m4 man-db mime-support po-debconf python python-alabaster python-all python-babel python-babel-localedata python-chardet python-docutils python-imagesize python-jinja2 python-markupsafe python-minimal python-numpy python-pkg-resources python-pygments python-requests python-roman python-setuptools python-six python-sphinx python-tz python-urllib3 python2.7 python2.7-minimal python3 python3-minimal python3.5 python3.5-minimal sbuild-build-depends-chemps2-dummy sgml-base sphinx-common xml-core zlib1g-dev 0 upgraded, 111 newly installed, 1 to remove and 0 not upgraded. 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arm64 libicu57 arm64 57.1-6 [7538 kB] Get:22 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 libxml2 arm64 2.9.4+dfsg1-2.2ubuntu1 [569 kB] Get:23 http://ftpmaster.internal/ubuntu artful/main arm64 libarchive13 arm64 3.2.2-2 [240 kB] Get:24 http://ftpmaster.internal/ubuntu artful/main arm64 libcurl3 arm64 7.52.1-5ubuntu1 [160 kB] Get:25 http://ftpmaster.internal/ubuntu artful/main arm64 libjsoncpp1 arm64 1.7.4-3 [69.2 kB] Get:26 http://ftpmaster.internal/ubuntu artful/universe arm64 librhash0 arm64 1.3.4-1 [71.2 kB] Get:27 http://ftpmaster.internal/ubuntu artful/main arm64 libuv1 arm64 1.9.1-3 [47.9 kB] Get:28 http://ftpmaster.internal/ubuntu artful-proposed/main arm64 cmake arm64 3.8.0-1 [2804 kB] Get:29 http://ftpmaster.internal/ubuntu artful/main arm64 libjpeg-turbo8 arm64 1.5.1-0ubuntu1 [90.0 kB] Get:30 http://ftpmaster.internal/ubuntu artful/main arm64 libpython2.7-minimal arm64 2.7.13-2 [338 kB] Get:31 http://ftpmaster.internal/ubuntu artful/main arm64 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all 1.59-1 [84.0 kB] Get:53 http://ftpmaster.internal/ubuntu artful/main arm64 libfile-stripnondeterminism-perl all 0.034-1 [12.8 kB] Get:54 http://ftpmaster.internal/ubuntu artful/main arm64 libtimedate-perl all 2.3000-2 [37.5 kB] Get:55 http://ftpmaster.internal/ubuntu artful/main arm64 dh-strip-nondeterminism all 0.034-1 [5010 B] Get:56 http://ftpmaster.internal/ubuntu artful/main arm64 libcroco3 arm64 0.6.11-3 [66.1 kB] Get:57 http://ftpmaster.internal/ubuntu artful/main arm64 gettext arm64 0.19.8.1-2ubuntu1 [1022 kB] Get:58 http://ftpmaster.internal/ubuntu artful/main arm64 intltool-debian all 0.35.0+20060710.4 [24.9 kB] Get:59 http://ftpmaster.internal/ubuntu artful/main arm64 po-debconf all 1.0.20 [232 kB] Get:60 http://ftpmaster.internal/ubuntu artful/main arm64 debhelper all 10.2.5ubuntu3 [869 kB] Get:61 http://ftpmaster.internal/ubuntu artful/main arm64 docutils-common all 0.13.1+dfsg-2 [154 kB] Get:62 http://ftpmaster.internal/ubuntu artful/universe arm64 fonts-mathjax all 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python-numpy arm64 1:1.12.1-1ubuntu2 [1684 kB] Get:103 http://ftpmaster.internal/ubuntu artful/main arm64 python-pygments all 2.2.0+dfsg-1 [577 kB] Get:104 http://ftpmaster.internal/ubuntu artful/main arm64 python-six all 1.10.0-4 [10.8 kB] Get:105 http://ftpmaster.internal/ubuntu artful/main arm64 python-urllib3 all 1.19.1-1 [65.9 kB] Get:106 http://ftpmaster.internal/ubuntu artful/main arm64 python-requests all 2.12.4-1 [84.2 kB] Get:107 http://ftpmaster.internal/ubuntu artful/main arm64 python-setuptools all 33.1.1-1 [258 kB] Get:108 http://ftpmaster.internal/ubuntu artful/universe arm64 python-alabaster all 0.7.8-1 [18.4 kB] Get:109 http://ftpmaster.internal/ubuntu artful/main arm64 sphinx-common all 1.5.6-1 [385 kB] Get:110 http://ftpmaster.internal/ubuntu artful/universe arm64 python-sphinx all 1.5.6-1 [429 kB] Get:111 http://ftpmaster.internal/ubuntu artful/universe arm64 libjs-mathjax all 2.7.0-2ubuntu1 [5552 kB] debconf: delaying package configuration, since apt-utils is not 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Setting up libuv1:arm64 (1.9.1-3) ... Setting up libblas-common (3.7.0-1) ... Setting up libgfortran3:arm64 (6.3.0-18ubuntu2) ... Setting up groff-base (1.22.3-9) ... Setting up libglib2.0-0:arm64 (2.53.1-1) ... No schema files found: doing nothing. Setting up libgfortran-6-dev:arm64 (6.3.0-18ubuntu2) ... Setting up libjs-sphinxdoc (1.5.6-1) ... Setting up gettext-base (0.19.8.1-2ubuntu1) ... Setting up cmake-data (3.8.0-1) ... Setting up libjpeg-turbo8:arm64 (1.5.1-0ubuntu1) ... Setting up libpipeline1:arm64 (1.4.1-2) ... Setting up m4 (1.4.18-1) ... Setting up sgml-base (1.29) ... Setting up libicu57:arm64 (57.1-6) ... Setting up libbsd0:arm64 (0.8.3-1) ... Setting up libxml2:arm64 (2.9.4+dfsg1-2.2ubuntu1) ... Setting up libmagic-mgc (1:5.30-1) ... Setting up libmagic1:arm64 (1:5.30-1) ... Setting up librhash0 (1.3.4-1) ... Setting up libcroco3:arm64 (0.6.11-3) ... Setting up libblas3 (3.7.0-1) ... update-alternatives: using /usr/lib/libblas/libblas.so.3 to provide /usr/lib/libblas.so.3 (libblas.so.3) in auto mode Setting up libjpeg-turbo8-dev:arm64 (1.5.1-0ubuntu1) ... Processing triggers for libc-bin (2.24-9ubuntu2) ... Setting up autotools-dev (20161112.1) ... Setting up python-babel-localedata (2.3.4+dfsg.1-2ubuntu1) ... Setting up sphinx-common (1.5.6-1) ... Setting up libexpat1-dev:arm64 (2.2.0-2) ... Setting up xml-core (0.17) ... Setting up bsdmainutils (9.0.12ubuntu1) ... update-alternatives: using /usr/bin/bsd-write to provide /usr/bin/write (write) in auto mode update-alternatives: using /usr/bin/bsd-from to provide /usr/bin/from (from) in auto mode Setting up hdf5-helpers (1.10.0-patch1+docs-3) ... Setting up libpython2.7-stdlib:arm64 (2.7.13-2) ... Setting up autopoint (0.19.8.1-2ubuntu1) ... Setting up libmpdec2:arm64 (2.4.2-1) ... Setting up liblzo2-2:arm64 (2.08-1.2) ... Setting up libsz2:arm64 (0.3.2-1) ... Setting up zlib1g-dev:arm64 (1:1.2.11.dfsg-0ubuntu1) ... Setting up libfile-stripnondeterminism-perl (0.034-1) ... Setting up libjpeg8:arm64 (8c-2ubuntu8) ... Setting up libjsoncpp1:arm64 (1.7.4-3) ... Setting up gfortran-6 (6.3.0-18ubuntu2) ... Setting up libhdf5-100:arm64 (1.10.0-patch1+docs-3) ... Setting up gettext (0.19.8.1-2ubuntu1) ... Setting up libarchive13:arm64 (3.2.2-2) ... Setting up liblapack3 (3.7.0-1) ... update-alternatives: using /usr/lib/lapack/liblapack.so.3 to provide /usr/lib/liblapack.so.3 (liblapack.so.3) in auto mode Setting up libpython3.5-stdlib:arm64 (3.5.3-1) ... Setting up libaec-dev:arm64 (0.3.2-1) ... Setting up python2.7 (2.7.13-2) ... Setting up autoconf (2.69-10) ... Setting up file (1:5.30-1) ... Setting up libpython-stdlib:arm64 (2.7.13-2) ... Setting up intltool-debian (0.35.0+20060710.4) ... Setting up libjpeg8-dev:arm64 (8c-2ubuntu8) ... Setting up libjpeg-dev:arm64 (8c-2ubuntu8) ... Setting up libpython2.7:arm64 (2.7.13-2) ... Setting up automake (1:1.15-6ubuntu1) ... update-alternatives: using /usr/bin/automake-1.15 to provide /usr/bin/automake (automake) in auto mode Setting up man-db (2.7.6.1-2) ... Not building database; man-db/auto-update is not 'true'. Setting up libpython2.7-dev:arm64 (2.7.13-2) ... Setting up cmake (3.8.0-1) ... Setting up python (2.7.13-2) ... Setting up libtool (2.4.6-2) ... Setting up python3.5 (3.5.3-1) ... Setting up gfortran (4:6.3.0-2ubuntu1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up libpython3-stdlib:arm64 (3.5.3-1ubuntu3) ... Setting up libpython-dev:arm64 (2.7.13-2) ... Setting up libhdf5-cpp-100:arm64 (1.10.0-patch1+docs-3) ... Setting up po-debconf (1.0.20) ... Setting up libblas-dev (3.7.0-1) ... update-alternatives: using /usr/lib/libblas/libblas.so to provide /usr/lib/libblas.so (libblas.so) in auto mode Setting up python-tz (2017.2-1) ... Setting up python-imagesize (0.7.1-1) ... Setting up libhdf5-dev (1.10.0-patch1+docs-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up python-alabaster (0.7.8-1) ... Setting up python-pkg-resources (33.1.1-1) ... Setting up python-roman (2.0.0-2) ... Setting up python-markupsafe (0.23-3build1) ... Setting up python-numpy (1:1.12.1-1ubuntu2) ... Setting up cython (0.25.2-1build1) ... Setting up python-six (1.10.0-4) ... Setting up python-pygments (2.2.0+dfsg-1) ... Setting up python-all (2.7.13-2) ... Setting up liblapack-dev (3.7.0-1) ... update-alternatives: using /usr/lib/lapack/liblapack.so to provide /usr/lib/liblapack.so (liblapack.so) in auto mode Setting up python-setuptools (33.1.1-1) ... Setting up python-urllib3 (1.19.1-1) ... Setting up python-chardet (2.3.0-2) ... Setting up python-jinja2 (2.9.5-1ubuntu1) ... Setting up python-babel (2.3.4+dfsg.1-2ubuntu1) ... update-alternatives: using /usr/bin/pybabel-python2 to provide /usr/bin/pybabel (pybabel) in auto mode Setting up python-requests (2.12.4-1) ... Processing triggers for sgml-base (1.29) ... Setting up docutils-common (0.13.1+dfsg-2) ... Processing triggers for sgml-base (1.29) ... Setting up python-docutils (0.13.1+dfsg-2) ... update-alternatives: using /usr/share/docutils/scripts/python2/rst-buildhtml to provide /usr/bin/rst-buildhtml (rst-buildhtml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2html to provide /usr/bin/rst2html (rst2html) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2html4 to provide /usr/bin/rst2html4 (rst2html4) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2html5 to provide /usr/bin/rst2html5 (rst2html5) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2latex to provide /usr/bin/rst2latex (rst2latex) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2man to provide /usr/bin/rst2man (rst2man) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2odt to provide /usr/bin/rst2odt (rst2odt) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2odt_prepstyles to provide /usr/bin/rst2odt_prepstyles (rst2odt_prepstyles) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2pseudoxml to provide /usr/bin/rst2pseudoxml (rst2pseudoxml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2s5 to provide /usr/bin/rst2s5 (rst2s5) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2xetex to provide /usr/bin/rst2xetex (rst2xetex) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2xml to provide /usr/bin/rst2xml (rst2xml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rstpep2html to provide /usr/bin/rstpep2html (rstpep2html) in auto mode Setting up python-sphinx (1.5.6-1) ... Setting up dh-python (2.20170125) ... Setting up dh-autoreconf (14) ... Setting up python3 (3.5.3-1ubuntu3) ... Setting up debhelper (10.2.5ubuntu3) ... Setting up sbuild-build-depends-chemps2-dummy (0.invalid.0) ... Setting up dh-strip-nondeterminism (0.034-1) ... (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 ... 25802 files and directories currently installed.) Purging configuration files for pkg-create-dbgsym (0.73) ... Processing triggers for libc-bin (2.24-9ubuntu2) ... +------------------------------------------------------------------------------+ | Build environment | +------------------------------------------------------------------------------+ Kernel: Linux 4.4.0-78-generic arm64 (aarch64) Toolchain package versions: binutils_2.28-5ubuntu1 dpkg-dev_1.18.23ubuntu7 g++-6_6.3.0-18ubuntu2 gcc-6_6.3.0-18ubuntu2 libc6-dev_2.24-9ubuntu2 libstdc++-6-dev_6.3.0-18ubuntu2 libstdc++6_7.1.0-6ubuntu1 linux-libc-dev_4.10.0-21.23 Package versions: adduser_3.113+nmu3ubuntu5 advancecomp_1.23-1 apt_1.4.4 apt-transport-https_1.4.4 autoconf_2.69-10 automake_1:1.15-6ubuntu1 autopoint_0.19.8.1-2ubuntu1 autotools-dev_20161112.1 base-files_9.6ubuntu99 base-passwd_3.5.43 bash_4.4-5ubuntu1 binutils_2.28-5ubuntu1 bsdmainutils_9.0.12ubuntu1 bsdutils_1:2.29-1ubuntu2 build-essential_12.1ubuntu2 bzip2_1.0.6-8.1 ca-certificates_20161130 cmake_3.8.0-1 cmake-data_3.8.0-1 coreutils_8.26-3ubuntu3 cpp_4:6.3.0-2ubuntu1 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+------------------------------------------------------------------------------+ Unpack source ------------- gpgv: Signature made Tue May 23 21:56:05 2017 UTC gpgv: using RSA key gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./chemps2_1.8.4-1.dsc dpkg-source: info: extracting chemps2 in chemps2-1.8.4 dpkg-source: info: unpacking chemps2_1.8.4.orig.tar.gz dpkg-source: info: unpacking chemps2_1.8.4-1.debian.tar.xz Check disc space ---------------- Sufficient free space for build User Environment ---------------- APT_CONFIG=/var/lib/sbuild/apt.conf DEB_BUILD_OPTIONS=parallel=4 HOME=/home/buildd LANG=C.UTF-8 LC_ALL=C.UTF-8 LOGNAME=buildd MAIL=/var/mail/buildd OLDPWD=/ PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games PWD=/<> SHELL=/bin/sh SUDO_COMMAND=/usr/sbin/chroot /<> su buildd -s /bin/sh -c cd '/<>' && 'env' SUDO_GID=2501 SUDO_UID=2001 SUDO_USER=buildd TERM=unknown USER=buildd USERNAME=root dpkg-buildpackage ----------------- dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.4-1 dpkg-buildpackage: info: source distribution experimental dpkg-source --before-build chemps2-1.8.4 dpkg-buildpackage: info: host architecture arm64 fakeroot debian/rules clean dh clean --with python2 dh_testdir dh_auto_clean debian/rules override_dh_clean make[1]: Entering directory '/<>' dh_clean rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc make[1]: Leaving directory '/<>' debian/rules build-arch dh build-arch --with python2 dh_testdir -a dh_update_autotools_config -a debian/rules override_dh_auto_configure make[1]: Entering directory '/<>' dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/aarch64-linux-gnu \ -DENABLE_XHOST=OFF \ -DBUILD_SPHINX=ON \ -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial \ -DCMAKE_BUILD_TYPE=release cmake .. -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_INSTALL_LIBDIR=lib/aarch64-linux-gnu -DENABLE_XHOST=OFF -DBUILD_SPHINX=ON -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial -DCMAKE_BUILD_TYPE=release -- The C compiler identification is GNU 6.3.0 -- The CXX compiler identification is GNU 6.3.0 -- Check for working C compiler: /usr/bin/cc -- Check for working C compiler: /usr/bin/cc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Detecting C compile features -- Detecting C compile features - done -- Check for working CXX compiler: /usr/bin/c++ -- Check for working CXX compiler: /usr/bin/c++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Detecting CXX compile features -- Detecting CXX compile features - done -- The CMake build type is release -- Try OpenMP C flag = [-fopenmp] -- Performing Test OpenMP_FLAG_DETECTED -- Performing Test OpenMP_FLAG_DETECTED - Success -- Try OpenMP CXX flag = [-fopenmp] -- Performing Test OpenMP_FLAG_DETECTED -- Performing Test OpenMP_FLAG_DETECTED - Success -- Found OpenMP: -fopenmp -- Performing Test HAS_IPO -- Performing Test HAS_IPO - Failed -- Performing Test HAS_FLTO -- Performing Test HAS_FLTO - Success -- Looking for sgemm_ -- Looking for sgemm_ - found -- Looking for pthread.h -- Looking for pthread.h - found -- Looking for pthread_create -- Looking for pthread_create - found -- Found Threads: TRUE -- A library with BLAS API found. -- LAPACK detected. -- Found TargetLAPACK: Found LAPACK: /usr/lib/liblapack.so;/usr/lib/libblas.so -- HDF5: Using hdf5 compiler wrapper to determine C configuration -- HDF5 detected. -- Found TargetHDF5: Found HDF5: /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/aarch64-linux-gnu/libpthread.so;/usr/lib/aarch64-linux-gnu/libsz.so;/usr/lib/aarch64-linux-gnu/libz.so;/usr/lib/aarch64-linux-gnu/libdl.so;/usr/lib/aarch64-linux-gnu/libm.so (found version 1.10.0.1) (found version "1.10.0.1") -- Found 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CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o [ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o [ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o [ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o [ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o [ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o [ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o [ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o [ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o [ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o [ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o [ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o [ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o [ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o [ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o [ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o [ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o [ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o [ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o [ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o [ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o [ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o [ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o [ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o [ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o [ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o [ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o [ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o [ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o [ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o [ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o [ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o [ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o [ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o [ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o [ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o [ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o [ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o [ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o [ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 65%] Built target chemps2-base make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' Scanning dependencies of target chemps2-static make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' [ 66%] Linking CXX static library libchemps2.a /usr/bin/ar: CMakeFiles/chemps2-base.dir/CASPT2.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCF.cpp.o: plugin needed to handle lto object /usr/bin/ar: 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tests/CMakeFiles/test10.dir/tests/test10.cpp.o [100%] Linking CXX executable test10 make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [100%] Built target test10 make[3]: Leaving directory '/<>/obj-aarch64-linux-gnu' make[2]: Leaving directory '/<>/obj-aarch64-linux-gnu' # https://wiki.debian.org/Python/LibraryStyleGuide: info on sphinx-build PYTHONPATH=. http_proxy='127.0.0.1:9' sphinx-build -N -b html \ -c obj-aarch64-linux-gnu/sphinx/ \ -D html_theme=default \ -D mathjax_path="/usr/share/javascript/mathjax/MathJax.js" sphinx/ build-sphinx/html Running Sphinx v1.5.6 making output directory... loading pickled environment... not yet created building [mo]: targets for 0 po files that are out of date building [html]: targets for 13 source files that are out of date updating environment: 13 added, 0 changed, 0 removed reading sources... [ 7%] caspt2 reading sources... [ 15%] dmrgscf reading sources... [ 23%] dmrgscfcalcs reading sources... [ 30%] handson reading sources... [ 38%] index reading sources... [ 46%] inoutput reading sources... [ 53%] interfaces reading sources... [ 61%] matrixelements reading sources... [ 69%] method reading sources... [ 76%] publications reading sources... [ 84%] resources reading sources... [ 92%] sourcecode reading sources... [100%] symmetry looking for now-outdated files... none found pickling environment... done checking consistency... done preparing documents... done writing output... [ 7%] caspt2 writing output... [ 15%] dmrgscf writing output... [ 23%] dmrgscfcalcs writing output... [ 30%] handson writing output... [ 38%] index writing output... [ 46%] inoutput writing output... [ 53%] interfaces writing output... [ 61%] matrixelements writing output... [ 69%] method writing output... [ 76%] publications writing output... [ 84%] resources writing output... [ 92%] sourcecode writing output... [100%] symmetry generating indices... genindex writing additional pages... search copying images... [ 12%] Comparison.png copying images... [ 25%] handson_orbitals.png copying images... [ 37%] single_node_h2o.png copying images... [ 50%] ComparisonN2.png copying images... [ 62%] handson_comparison.png copying images... [ 75%] ExtrapolationN2reorder.png copying images... [ 87%] polyene_scaling.png copying images... [100%] multi_node_h2o.png copying static files... done copying extra files... done dumping search index in English (code: en) ... done dumping object inventory... done build succeeded. # I know it's ugly, but sphinx splits strings at equality signs: http://svn.python.org/projects/doctools/trunk/sphinx/cmdline.py cd build-sphinx/html && sed -i "s/MathJax.js/MathJax.js?config=TeX-AMS-MML_HTMLorMML/" *.html # Solving the complaints from lintian about jquery.js & underscore.js cd build-sphinx/html && sed -i "s/_static\/jquery.js/\/usr\/share\/javascript\/jquery\/jquery.js/" *.html cd build-sphinx/html && sed -i "s/_static\/underscore.js/\/usr\/share\/javascript\/underscore\/underscore.js/" *.html cd build-sphinx/html/_static && rm jquery*.js underscore*.js cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py build_ext -L ../obj-aarch64-linux-gnu/CheMPS2 running build_ext cythoning PyCheMPS2.pyx to PyCheMPS2.cpp building 'PyCheMPS2' extension creating build creating build/temp.linux-aarch64-2.7 aarch64-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python2.7/dist-packages/numpy/core/include -I/usr/include/python2.7 -c PyCheMPS2.cpp -o build/temp.linux-aarch64-2.7/PyCheMPS2.o cc1plus: warning: command line option ‘-Wstrict-prototypes’ is valid for C/ObjC but not for C++ In file included from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1788:0, from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarrayobject.h:18, from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from PyCheMPS2.cpp:449: /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: #warning "Using deprecated NumPy API, disable it by " "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by " \ ^~~~~~~ creating build/lib.linux-aarch64-2.7 aarch64-linux-gnu-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -Wdate-time -D_FORTIFY_SOURCE=2 -g -fdebug-prefix-map=/build/python2.7-CzRYjo/python2.7-2.7.13=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-Bsymbolic-functions -Wl,-z,relro -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-aarch64-2.7/PyCheMPS2.o -L../obj-aarch64-linux-gnu/CheMPS2 -lchemps2 -o build/lib.linux-aarch64-2.7/PyCheMPS2.so make[1]: Leaving directory '/<>' debian/rules override_dh_auto_test make[1]: Entering directory '/<>' cd obj-aarch64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /<>/obj-aarch64-linux-gnu Start 3: test3 1/3 Test #3: test3 ............................ Passed 16.74 sec Start 5: test5 2/3 Test #5: test5 ............................ Passed 15.61 sec Start 8: test8 3/3 Test #8: test8 ............................ Passed 19.21 sec 100% tests passed, 0 tests failed out of 3 Total Test time (real) = 51.58 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-aarch64-2.7:.. \ LD_LIBRARY_PATH=../../obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial \ python2 test1.py CheMPS2::Hamiltonian : Reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP CheMPS2::Hamiltonian : Finished reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2017 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 12 Energy at sites (8, 9) is -102.398648994896 Stats: nIt(DAVIDSON) = 16 Energy at sites (7, 8) is -106.852775880888 Stats: nIt(DAVIDSON) = 68 Energy at sites (6, 7) is -106.894892494191 Stats: nIt(DAVIDSON) = 60 Energy at sites (5, 6) is -106.906227991765 Stats: nIt(DAVIDSON) = 39 Energy at sites (4, 5) is -107.633635013339 Stats: nIt(DAVIDSON) = 30 Energy at sites (3, 4) is -107.647991450362 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.647991450362 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647991450362 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 4.467662 seconds *** |--> S.join = 0.016091 seconds *** |--> S.solve = 4.271487 seconds *** |--> S.split = 0.027508 seconds *** |--> Tensor update = 0.150957 seconds *** |--> create = 0.022369 seconds *** |--> destroy = 0.002271 seconds *** |--> disk write = 0.042349 seconds *** |--> disk read = 0.02546 seconds *** |--> calc = 0.058373 seconds *** Disk write bandwidth = 13.8364633919005 MB/s *** Disk read bandwidth = 23.0928527400518 MB/s *** Minimum energy = -107.647991450362 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.647991450363 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647991450362 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.647991450362 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.647991450362 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.648014148743 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250522187 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250522187 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250522187 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.65629 seconds *** |--> S.join = 0.021197 seconds *** |--> S.solve = 0.456382 seconds *** |--> S.split = 0.03592 seconds *** |--> Tensor update = 0.140825 seconds *** |--> create = 0.022998 seconds *** |--> destroy = 0.002332 seconds *** |--> disk write = 0.042658 seconds *** |--> disk read = 0.027791 seconds *** |--> calc = 0.044929 seconds *** Disk write bandwidth = 13.7827378396015 MB/s *** Disk read bandwidth = 21.0845377346477 MB/s *** Minimum energy = -107.648250522187 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.648250522187 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250522187 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250522187 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250522187 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250522188 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.648250857216 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.648250972416 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972416 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972416 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.734448 seconds *** |--> S.join = 0.047416 seconds *** |--> S.solve = 0.44154 seconds *** |--> S.split = 0.034111 seconds *** |--> Tensor update = 0.209353 seconds *** |--> create = 0.02322 seconds *** |--> destroy = 0.009682 seconds *** |--> disk write = 0.055967 seconds *** |--> disk read = 0.028554 seconds *** |--> calc = 0.091796 seconds *** Disk write bandwidth = 10.4697480333696 MB/s *** Disk read bandwidth = 20.5906013434797 MB/s *** Minimum energy = -107.648250972416 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250972416 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972416 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972416 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250972416 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.648250972515 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250973997 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973997 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973997 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.719338 seconds *** |--> S.join = 0.04891 seconds *** |--> S.solve = 0.385414 seconds *** |--> S.split = 0.066203 seconds *** |--> Tensor update = 0.217381 seconds *** |--> create = 0.031897 seconds *** |--> destroy = 0.002602 seconds *** |--> disk write = 0.050824 seconds *** |--> disk read = 0.02908 seconds *** |--> calc = 0.102839 seconds *** Disk write bandwidth = 11.5682360845608 MB/s *** Disk read bandwidth = 20.1499445730259 MB/s *** Minimum energy = -107.648250973997 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 4.51810024060251e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.648250973997 *** Minimum energy encountered during the last sweep = -107.648250973997 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 Energy at sites (8, 9) is -107.648250973999 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.648250974 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.648250974002 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974002 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.648250974004 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 1.661333 seconds *** |--> S.join = 0.026352 seconds *** |--> S.solve = 1.41154 seconds *** |--> S.split = 0.047541 seconds *** |--> Tensor update = 0.174696 seconds *** |--> create = 0.023108 seconds *** |--> destroy = 0.00259 seconds *** |--> disk write = 0.0462050000000001 seconds *** |--> disk read = 0.027955 seconds *** |--> calc = 0.074697 seconds *** Disk write bandwidth = 12.6817528012898 MB/s *** Disk read bandwidth = 21.0318022093264 MB/s *** Minimum energy = -107.648250974013 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250974014 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.887336 seconds *** |--> S.join = 0.03099 seconds *** |--> S.solve = 0.646003 seconds *** |--> S.split = 0.03652 seconds *** |--> Tensor update = 0.171638 seconds *** |--> create = 0.023301 seconds *** |--> destroy = 0.002428 seconds *** |--> disk write = 0.043286 seconds *** |--> disk read = 0.028524 seconds *** |--> calc = 0.073965 seconds *** Disk write bandwidth = 13.58277574185 MB/s *** Disk read bandwidth = 20.5427144924833 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.63424829224823e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.648250974014 *** Minimum energy encountered during the last sweep = -107.648250974014 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014 NOON of irrep Ag = [ 1.99999530444274 , 1.99487994122266 , 1.98267954070707 ]. NOON of irrep B2g = [ 0.0748715523291895 ]. NOON of irrep B3g = [ 0.0748715522778658 ]. NOON of irrep B1u = [ 1.99999681839219 , 1.98658242712475 , 0.0188079712072241 ]. NOON of irrep B2u = [ 1.93365744612436 ]. NOON of irrep B3u = [ 1.93365744617194 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009428032133 , 0.0515866780458232 , 0.0764971085578119 , 0.257716818982243 , 0.257716818902584 , 8.4715530106646e-05 , 0.0462800404081136 , 0.100736303434026 , 0.241506019725198 , 0.241506019617528 ]. Idistance(0) = 1.30939331253241 Idistance(1) = 5.42402999639392 Idistance(2) = 26.7355488098568 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.597205 seconds *** |--> MPS gauge change = 0.101955 seconds *** |--> Diagram calc = 0.050467 seconds *** |--> Tensor update = 0.442834 seconds *** |--> create = 0.054963 seconds *** |--> destroy = 0.00736099999999999 seconds *** |--> disk write = 0.103281 seconds *** |--> disk read = 0.070949 seconds *** |--> calc = 0.205857 seconds *** Disk write bandwidth = 11.5280453496559 MB/s *** Disk read bandwidth = 16.7814634703493 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 = 0.420533 seconds FCI::matvec : Wall time = 0.381422 seconds FCI::matvec : Wall time = 0.0192 seconds FCI::matvec : Wall time = 0.009322 seconds FCI::matvec : Wall time = 0.026933 seconds FCI::matvec : Wall time = 0.006309 seconds FCI::matvec : Wall time = 0.006373 seconds FCI::matvec : Wall time = 0.005799 seconds FCI::matvec : Wall time = 0.005813 seconds FCI::matvec : Wall time = 0.006175 seconds FCI::matvec : Wall time = 0.006379 seconds FCI::matvec : Wall time = 0.006406 seconds FCI::matvec : Wall time = 0.006044 seconds FCI::matvec : Wall time = 0.005906 seconds FCI::matvec : Wall time = 0.006029 seconds FCI::matvec : Wall time = 0.005874 seconds FCI::matvec : Wall time = 0.005871 seconds FCI::matvec : Wall time = 1.657184 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 2.56433905031461e-19 and intended S(S+1) = 0 ('RMS difference FCI and DMRG determinant coefficients =', 1.2766296867216829e-08) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2017 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 13 Energy at sites (8, 9) is -99.5524279736065 Stats: nIt(DAVIDSON) = 36 Energy at sites (7, 8) is -106.330709997363 Stats: nIt(DAVIDSON) = 50 Energy at sites (6, 7) is -106.378005969087 Stats: nIt(DAVIDSON) = 56 Energy at sites (5, 6) is -107.318514473228 Stats: nIt(DAVIDSON) = 42 Energy at sites (4, 5) is -107.325615569927 Stats: nIt(DAVIDSON) = 24 Energy at sites (3, 4) is -107.328762741991 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.328764517645 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764517646 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 6.484337 seconds *** |--> S.join = 0.017243 seconds *** |--> S.solve = 6.258598 seconds *** |--> S.split = 0.028623 seconds *** |--> Tensor update = 0.176317 seconds *** |--> create = 0.027898 seconds *** |--> destroy = 0.002394 seconds *** |--> disk write = 0.04544 seconds *** |--> disk read = 0.027191 seconds *** |--> calc = 0.073277 seconds *** Disk write bandwidth = 18.5921158589108 MB/s *** Disk read bandwidth = 30.9367725433622 MB/s *** Minimum energy = -107.328764517646 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328764517646 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764517646 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328764517645 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.328764520052 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328766980074 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.328768891528 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768891528 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768891528 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.886763 seconds *** |--> S.join = 0.03629 seconds *** |--> S.solve = 0.633011 seconds *** |--> S.split = 0.025959 seconds *** |--> Tensor update = 0.181456 seconds *** |--> create = 0.028108 seconds *** |--> destroy = 0.002555 seconds *** |--> disk write = 0.046323 seconds *** |--> disk read = 0.026414 seconds *** |--> calc = 0.07793 seconds *** Disk write bandwidth = 18.1594841056616 MB/s *** Disk read bandwidth = 31.9840139558153 MB/s *** Minimum energy = -107.328768891528 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.328768891528 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768891528 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768891528 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768891528 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768891528 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.328768891995 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.328768897976 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897977 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897977 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.584508 seconds *** |--> S.join = 0.033048 seconds *** |--> S.solve = 0.304338 seconds *** |--> S.split = 0.060839 seconds *** |--> Tensor update = 0.179982 seconds *** |--> create = 0.026858 seconds *** |--> destroy = 0.002788 seconds *** |--> disk write = 0.042685 seconds *** |--> disk read = 0.02732 seconds *** |--> calc = 0.08021 seconds *** Disk write bandwidth = 19.7920989722129 MB/s *** Disk read bandwidth = 30.7906948106355 MB/s *** Minimum energy = -107.328768897977 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768897977 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897977 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897977 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768897976 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.328768898013 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898012 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898013 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898013 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.520584 seconds *** |--> S.join = 0.025608 seconds *** |--> S.solve = 0.275778 seconds *** |--> S.split = 0.035749 seconds *** |--> Tensor update = 0.178309 seconds *** |--> create = 0.02754 seconds *** |--> destroy = 0.002528 seconds *** |--> disk write = 0.043069 seconds *** |--> disk read = 0.028045 seconds *** |--> calc = 0.077006 seconds *** Disk write bandwidth = 19.5314909151957 MB/s *** Disk read bandwidth = 30.1239345562098 MB/s *** Minimum energy = -107.328768898013 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.4848109104787e-09 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.328768898013 *** Minimum energy encountered during the last sweep = -107.328768898013 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.328768898015 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.32876889802 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.328768898028 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.328768898029 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -107.328768898028 Stats: nIt(DAVIDSON) = 16 Energy at sites (3, 4) is -107.328768898032 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 2.138202 seconds *** |--> S.join = 0.016359 seconds *** |--> S.solve = 1.915193 seconds *** |--> S.split = 0.031591 seconds *** |--> Tensor update = 0.172941 seconds *** |--> create = 0.026263 seconds *** |--> destroy = 0.002694 seconds *** |--> disk write = 0.042444 seconds *** |--> disk read = 0.027497 seconds *** |--> calc = 0.073919 seconds *** Disk write bandwidth = 19.9044798941878 MB/s *** Disk read bandwidth = 30.592493080211 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898032 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898032 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 1.022639 seconds *** |--> S.join = 0.017716 seconds *** |--> S.solve = 0.80391 seconds *** |--> S.split = 0.027248 seconds *** |--> Tensor update = 0.172195 seconds *** |--> create = 0.027679 seconds *** |--> destroy = 0.002645 seconds *** |--> disk write = 0.04261 seconds *** |--> disk read = 0.027035 seconds *** |--> calc = 0.072104 seconds *** Disk write bandwidth = 19.7418864638949 MB/s *** Disk read bandwidth = 31.2493339977402 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.9838353182422e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.328768898033 *** Minimum energy encountered during the last sweep = -107.328768898033 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 NOON of irrep Ag = [ 1.99999672241036 , 1.99571463012873 , 1.98497373609213 ]. NOON of irrep B2g = [ 0.538989905204425 ]. NOON of irrep B3g = [ 0.538989904875584 ]. NOON of irrep B1u = [ 1.99999702947249 , 1.99149890562975 , 0.0194690668077087 ]. NOON of irrep B2u = [ 1.46518504985528 ]. NOON of irrep B3u = [ 1.46518504952354 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862743210754 , 0.058708937569662 , 0.0554792806882357 , 1.1195763001193 , 1.11957629994505 , 8.52797481838598e-05 , 0.0421718620852337 , 0.105000352808972 , 1.11261995843466 , 1.11261995861301 ]. Idistance(0) = 4.60188108152113 Idistance(1) = 17.7825010792568 Idistance(2) = 85.6947708238951 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.687513 seconds *** |--> MPS gauge change = 0.148471 seconds *** |--> Diagram calc = 0.064277 seconds *** |--> Tensor update = 0.470736 seconds *** |--> create = 0.064885 seconds *** |--> destroy = 0.00710699999999999 seconds *** |--> disk write = 0.100415 seconds *** |--> disk read = 0.067253 seconds *** |--> calc = 0.230606 seconds *** Disk write bandwidth = 17.0586469228872 MB/s *** Disk read bandwidth = 25.4701504878848 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 = 1.008718 seconds FCI::matvec : Wall time = 0.005216 seconds FCI::matvec : Wall time = 0.004928 seconds FCI::matvec : Wall time = 0.004927 seconds FCI::matvec : Wall time = 0.004935 seconds FCI::matvec : Wall time = 0.005018 seconds FCI::matvec : Wall time = 0.004946 seconds FCI::matvec : Wall time = 0.004774 seconds FCI::matvec : Wall time = 0.004659 seconds FCI::matvec : Wall time = 0.004498 seconds FCI::matvec : Wall time = 0.004595 seconds FCI::matvec : Wall time = 0.006041 seconds FCI::matvec : Wall time = 0.004954 seconds FCI::matvec : Wall time = 0.726526 seconds FCI::matvec : Wall time = 0.767041 seconds FCI::matvec : Wall time = 0.098327 seconds FCI::matvec : Wall time = 1.398872 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898032 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 ('RMS difference FCI and DMRG determinant coefficients =', 2.7613144708883582e-09) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2017 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along 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 -104.329223950188 Stats: nIt(DAVIDSON) = 18 Energy at sites (7, 8) is -105.669251593569 Stats: nIt(DAVIDSON) = 31 Energy at sites (6, 7) is -106.994490163238 Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -106.996485557781 Stats: nIt(DAVIDSON) = 21 Energy at sites (4, 5) is -106.996880325716 Stats: nIt(DAVIDSON) = 20 Energy at sites (3, 4) is -106.999089821201 Stats: nIt(DAVIDSON) = 14 Energy at sites (2, 3) is -107.007881102085 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007881102085 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 2.748831 seconds *** |--> S.join = 0.028317 seconds *** |--> S.solve = 2.526553 seconds *** |--> S.split = 0.03826 seconds *** |--> Tensor update = 0.153654 seconds *** |--> create = 0.0218 seconds *** |--> destroy = 0.003492 seconds *** |--> disk write = 0.040239 seconds *** |--> disk read = 0.027254 seconds *** |--> calc = 0.060738 seconds *** Disk write bandwidth = 4.85324217342395 MB/s *** Disk read bandwidth = 7.12578842712882 MB/s *** Minimum energy = -107.007881102085 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007881102085 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007881102085 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007881102085 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.007881453367 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.007884279586 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.007920308968 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.007920309733 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920309733 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.957663 seconds *** |--> S.join = 0.032777 seconds *** |--> S.solve = 0.682861 seconds *** |--> S.split = 0.040158 seconds *** |--> Tensor update = 0.199876 seconds *** |--> create = 0.022139 seconds *** |--> destroy = 0.003512 seconds *** |--> disk write = 0.047034 seconds *** |--> disk read = 0.027861 seconds *** |--> calc = 0.0992 seconds *** Disk write bandwidth = 4.12906063258427 MB/s *** Disk read bandwidth = 7.00942578573656 MB/s *** Minimum energy = -107.007920309733 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.007920309733 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.007920309733 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920309733 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920309733 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.007920309733 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.007920335158 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.007920370196 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.00792059615 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.00792059615 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.630585 seconds *** |--> S.join = 0.025336 seconds *** |--> S.solve = 0.384366 seconds *** |--> S.split = 0.03898 seconds *** |--> Tensor update = 0.180027 seconds *** |--> create = 0.02182 seconds *** |--> destroy = 0.003528 seconds *** |--> disk write = 0.041236 seconds *** |--> disk read = 0.028798 seconds *** |--> calc = 0.084517 seconds *** Disk write bandwidth = 4.73590095587366 MB/s *** Disk read bandwidth = 6.74374046089898 MB/s *** Minimum energy = -107.00792059615 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.00792059615 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.00792059615 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.00792059615 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.007920596286 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.007920596309 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.007920599386 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599386 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599386 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.468709 seconds *** |--> S.join = 0.034251 seconds *** |--> S.solve = 0.231911 seconds *** |--> S.split = 0.024874 seconds *** |--> Tensor update = 0.17212 seconds *** |--> create = 0.021646 seconds *** |--> destroy = 0.002868 seconds *** |--> disk write = 0.038772 seconds *** |--> disk read = 0.026588 seconds *** |--> calc = 0.082138 seconds *** Disk write bandwidth = 5.0089300988592 MB/s *** Disk read bandwidth = 7.345028276531 MB/s *** Minimum energy = -107.007920599386 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.89653769414144e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.007920599386 *** Minimum energy encountered during the last sweep = -107.007920599386 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.007920599387 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.007920599389 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.007920599391 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.007920599391 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.007920599391 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.007920599392 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 = 1.466179 seconds *** |--> S.join = 0.013956 seconds *** |--> S.solve = 1.263634 seconds *** |--> S.split = 0.03291 seconds *** |--> Tensor update = 0.152797 seconds *** |--> create = 0.021981 seconds *** |--> destroy = 0.003083 seconds *** |--> disk write = 0.039315 seconds *** |--> disk read = 0.028169 seconds *** |--> calc = 0.060118 seconds *** Disk write bandwidth = 4.96730540039187 MB/s *** Disk read bandwidth = 6.89432488881283 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.007920599439 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.997636 seconds *** |--> S.join = 0.020625 seconds *** |--> S.solve = 0.803673 seconds *** |--> S.split = 0.023803 seconds *** |--> Tensor update = 0.145485 seconds *** |--> create = 0.022018 seconds *** |--> destroy = 0.00301 seconds *** |--> disk write = 0.041567 seconds *** |--> disk read = 0.026494 seconds *** |--> calc = 0.052286 seconds *** Disk write bandwidth = 4.67212543106235 MB/s *** Disk read bandwidth = 7.37108823946578 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 5.21822585142218e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.007920599439 *** Minimum energy encountered during the last sweep = -107.007920599439 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 NOON of irrep Ag = [ 1.99999761728501 , 1.99817458747386 , 1.99099529619646 ]. NOON of irrep B2g = [ 0.999157310992908 ]. NOON of irrep B3g = [ 0.999157310954054 ]. NOON of irrep B1u = [ 1.99999763398158 , 1.99356772573317 , 0.0151843201457346 ]. NOON of irrep B2u = [ 1.00188409864424 ]. NOON of irrep B3u = [ 1.00188409859299 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624975486207e-05 , 0.043979514304016 , 0.0191227030391635 , 0.710073263095032 , 0.710073263437916 , 0.00011419427562645 , 0.0501988276469903 , 0.0847680561442289 , 0.70939318661812 , 0.709393186290921 ]. Idistance(0) = 1.9674072388076 Idistance(1) = 7.24682976033612 Idistance(2) = 34.6048709730243 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.582355 seconds *** |--> MPS gauge change = 0.161458 seconds *** |--> Diagram calc = 0.063151 seconds *** |--> Tensor update = 0.356001 seconds *** |--> create = 0.051157 seconds *** |--> destroy = 0.00763799999999999 seconds *** |--> disk write = 0.094521 seconds *** |--> disk read = 0.065212 seconds *** |--> calc = 0.137085 seconds *** Disk write bandwidth = 4.32922393630615 MB/s *** Disk read bandwidth = 6.27495822369493 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory. FCI::matvec : Wall time = 0.523992 seconds FCI::matvec : Wall time = 0.016336 seconds FCI::matvec : Wall time = 0.238905 seconds FCI::matvec : Wall time = 0.618921 seconds FCI::matvec : Wall time = 1.246462 seconds FCI::matvec : Wall time = 0.003368 seconds FCI::matvec : Wall time = 0.002966 seconds FCI::matvec : Wall time = 0.052533 seconds FCI::matvec : Wall time = 0.003373 seconds FCI::matvec : Wall time = 0.002611 seconds FCI::matvec : Wall time = 0.002507 seconds FCI::matvec : Wall time = 0.0026 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 ('RMS difference FCI and DMRG determinant coefficients =', 6.2035435764510487e-08) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2017 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along 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) = 9 Energy at sites (8, 9) is -103.880165717127 Stats: nIt(DAVIDSON) = 22 Energy at sites (7, 8) is -105.79317488279 Stats: nIt(DAVIDSON) = 63 Energy at sites (6, 7) is -105.903968168423 Stats: nIt(DAVIDSON) = 51 Energy at sites (5, 6) is -105.905526782987 Stats: nIt(DAVIDSON) = 30 Energy at sites (4, 5) is -106.123609930186 Stats: nIt(DAVIDSON) = 40 Energy at sites (3, 4) is -106.179573142057 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.179573302352 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.179573302352 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 4.13024 seconds *** |--> S.join = 0.013791 seconds *** |--> S.solve = 3.929931 seconds *** |--> S.split = 0.029058 seconds *** |--> Tensor update = 0.155651 seconds *** |--> create = 0.022452 seconds *** |--> destroy = 0.002779 seconds *** |--> disk write = 0.052757 seconds *** |--> disk read = 0.028358 seconds *** |--> calc = 0.049183 seconds *** Disk write bandwidth = 3.82619406918158 MB/s *** Disk read bandwidth = 7.08001786037009 MB/s *** Minimum energy = -106.179573302352 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.179573302352 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.179573302352 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.179573302352 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.17957330239 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.17968716556 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.191418095786 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.191418095889 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191418095889 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.793159 seconds *** |--> S.join = 0.021309 seconds *** |--> S.solve = 0.597602 seconds *** |--> S.split = 0.023217 seconds *** |--> Tensor update = 0.149929 seconds *** |--> create = 0.022795 seconds *** |--> destroy = 0.00273 seconds *** |--> disk write = 0.041516 seconds *** |--> disk read = 0.028127 seconds *** |--> calc = 0.054651 seconds *** Disk write bandwidth = 4.83609082003023 MB/s *** Disk read bandwidth = 7.17668149848233 MB/s *** Minimum energy = -106.191418095889 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 106.191418095889 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191418095889 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191418095889 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191418095889 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191418095889 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.191459370502 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -106.191465644818 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.191465650501 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191465650501 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.688163 seconds *** |--> S.join = 0.032087 seconds *** |--> S.solve = 0.462298 seconds *** |--> S.split = 0.027719 seconds *** |--> Tensor update = 0.16407 seconds *** |--> create = 0.022848 seconds *** |--> destroy = 0.003388 seconds *** |--> disk write = 0.042252 seconds *** |--> disk read = 0.029157 seconds *** |--> calc = 0.066299 seconds *** Disk write bandwidth = 4.777490308336 MB/s *** Disk read bandwidth = 6.88600152568423 MB/s *** Minimum energy = -106.191465650501 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191465650501 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191465650501 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191465650501 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191465650501 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -106.191465652769 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -106.191466518044 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466518044 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466518044 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.530184 seconds *** |--> S.join = 0.027199 seconds *** |--> S.solve = 0.316027 seconds *** |--> S.split = 0.029354 seconds *** |--> Tensor update = 0.15642 seconds *** |--> create = 0.022904 seconds *** |--> destroy = 0.002771 seconds *** |--> disk write = 0.044252 seconds *** |--> disk read = 0.028348 seconds *** |--> calc = 0.058024 seconds *** Disk write bandwidth = 4.53708637992351 MB/s *** Disk read bandwidth = 7.12073234470906 MB/s *** Minimum energy = -106.191466518044 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 4.8422154520722e-05 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -106.191466518044 *** Minimum energy encountered during the last sweep = -106.191466518044 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 Energy at sites (8, 9) is -106.191466518065 Stats: nIt(DAVIDSON) = 11 Energy at sites (7, 8) is -106.19146651809 Stats: nIt(DAVIDSON) = 11 Energy at sites (6, 7) is -106.191466518092 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.191466518097 Stats: nIt(DAVIDSON) = 17 Energy at sites (4, 5) is -106.191466569589 Stats: nIt(DAVIDSON) = 17 Energy at sites (3, 4) is -106.191466571725 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -106.191466571726 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466571726 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 1.558711 seconds *** |--> S.join = 0.01319 seconds *** |--> S.solve = 1.372196 seconds *** |--> S.split = 0.02441 seconds *** |--> Tensor update = 0.144762 seconds *** |--> create = 0.022415 seconds *** |--> destroy = 0.003122 seconds *** |--> disk write = 0.04055 seconds *** |--> disk read = 0.029118 seconds *** |--> calc = 0.049431 seconds *** Disk write bandwidth = 4.97801530228884 MB/s *** Disk read bandwidth = 6.89522448260097 MB/s *** Minimum energy = -106.191466571726 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466571726 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466571726 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466571726 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -106.191466571726 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -106.191466571727 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -106.191466575637 Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -106.191466575637 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575637 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 1.056279 seconds *** |--> S.join = 0.026144 seconds *** |--> S.solve = 0.794245 seconds *** |--> S.split = 0.033325 seconds *** |--> Tensor update = 0.196258 seconds *** |--> create = 0.022876 seconds *** |--> destroy = 0.003176 seconds *** |--> disk write = 0.051361 seconds *** |--> disk read = 0.028372 seconds *** |--> calc = 0.090342 seconds *** Disk write bandwidth = 3.90909730115019 MB/s *** Disk read bandwidth = 7.1147088857963 MB/s *** Minimum energy = -106.191466575637 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 5.7593837254899e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575637 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575637 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575638 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575638 Stats: nIt(DAVIDSON) = 15 Energy at sites (4, 5) is -106.191466575916 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -106.191466575927 Stats: nIt(DAVIDSON) = 5 Energy at sites (2, 3) is -106.191466575927 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575927 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 0.774796 seconds *** |--> S.join = 0.026213 seconds *** |--> S.solve = 0.558297 seconds *** |--> S.split = 0.030355 seconds *** |--> Tensor update = 0.149578 seconds *** |--> create = 0.022594 seconds *** |--> destroy = 0.003213 seconds *** |--> disk write = 0.040855 seconds *** |--> disk read = 0.029034 seconds *** |--> calc = 0.053742 seconds *** Disk write bandwidth = 4.940852294892 MB/s *** Disk read bandwidth = 6.91517346849814 MB/s *** Minimum energy = -106.191466575927 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575927 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575927 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575927 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.191466575927 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -106.191466575927 Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -106.191466575948 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575948 ****************************************************************** *** Information on right sweep 1 of instruction 1: *** Elapsed wall time = 0.796782 seconds *** |--> S.join = 0.017194 seconds *** |--> S.solve = 0.621396 seconds *** |--> S.split = 0.029074 seconds *** |--> Tensor update = 0.127628 seconds *** |--> create = 0.022331 seconds *** |--> destroy = 0.002695 seconds *** |--> disk write = 0.039101 seconds *** |--> disk read = 0.026125 seconds *** |--> calc = 0.037262 seconds *** Disk write bandwidth = 5.13478290796591 MB/s *** Disk read bandwidth = 7.7266419333134 MB/s *** Minimum energy = -106.191466575948 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.11047188006341e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575948 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575948 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: *** Elapsed wall time = 0.680986 seconds *** |--> S.join = 0.011966 seconds *** |--> S.solve = 0.469113 seconds *** |--> S.split = 0.04159 seconds *** |--> Tensor update = 0.155208 seconds *** |--> create = 0.022269 seconds *** |--> destroy = 0.003079 seconds *** |--> disk write = 0.037394 seconds *** |--> disk read = 0.025419 seconds *** |--> calc = 0.066929 seconds *** Disk write bandwidth = 5.39815265838938 MB/s *** Disk read bandwidth = 7.89862490595126 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: *** Elapsed wall time = 0.740144 seconds *** |--> S.join = 0.031775 seconds *** |--> S.solve = 0.496913 seconds *** |--> S.split = 0.043813 seconds *** |--> Tensor update = 0.165157 seconds *** |--> create = 0.022673 seconds *** |--> destroy = 0.003073 seconds *** |--> disk write = 0.044243 seconds *** |--> disk read = 0.028083 seconds *** |--> calc = 0.066976 seconds *** Disk write bandwidth = 4.53800932315564 MB/s *** Disk read bandwidth = 7.1879258094866 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.62003743753303e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -106.19146657595 *** Minimum energy encountered during the last sweep = -106.19146657595 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 NOON of irrep Ag = [ 1.99999399659715 , 1.99366325661632 , 1.87190049210615 ]. NOON of irrep B2g = [ 0.584814305424738 ]. NOON of irrep B3g = [ 0.584814258884294 ]. NOON of irrep B1u = [ 1.99999783389177 , 1.12096429146379 , 1.00219410756246 ]. NOON of irrep B2u = [ 1.42082875529896 ]. NOON of irrep B3u = [ 1.42082870215436 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128186129863e-05 , 0.0722109530360134 , 0.460791907697959 , 1.13075780144811 , 1.13075778728471 , 6.17502955962695e-05 , 0.977139014388119 , 0.735936480912368 , 1.12042721964114 , 1.12042724613637 ]. Idistance(0) = 5.65234392505517 Idistance(1) = 19.8382957932098 Idistance(2) = 88.8195417008811 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.661136 seconds *** |--> MPS gauge change = 0.132464 seconds *** |--> Diagram calc = 0.051173 seconds *** |--> Tensor update = 0.475609 seconds *** |--> create = 0.052985 seconds *** |--> destroy = 0.010218 seconds *** |--> disk write = 0.100947 seconds *** |--> disk read = 0.066878 seconds *** |--> calc = 0.244169 seconds *** Disk write bandwidth = 4.18378350091044 MB/s *** Disk read bandwidth = 6.31508706998424 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 = 1.139261 seconds FCI::matvec : Wall time = 0.559912 seconds FCI::matvec : Wall time = 0.188077 seconds FCI::matvec : Wall time = 1.148251 seconds FCI::matvec : Wall time = 0.656194 seconds FCI::matvec : Wall time = 0.003499 seconds FCI::matvec : Wall time = 0.002983 seconds FCI::matvec : Wall time = 0.002954 seconds FCI::matvec : Wall time = 0.002667 seconds FCI::matvec : Wall time = 0.002998 seconds FCI::matvec : Wall time = 0.002934 seconds FCI::matvec : Wall time = 0.002979 seconds FCI::matvec : Wall time = 0.003001 seconds FCI::matvec : Wall time = 0.003522 seconds FCI::matvec : Wall time = 0.002922 seconds FCI::matvec : Wall time = 0.002664 seconds FCI::matvec : Wall time = 0.002761 seconds FCI::matvec : Wall time = 0.003131 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 ('RMS difference FCI and DMRG determinant coefficients =', 1.5787306114263276e-07) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2017 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along 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 -103.522700573634 Stats: nIt(DAVIDSON) = 28 Energy at sites (7, 8) is -106.572072938519 Stats: nIt(DAVIDSON) = 36 Energy at sites (6, 7) is -106.777630234087 Stats: nIt(DAVIDSON) = 68 Energy at sites (5, 6) is -106.804778506238 Stats: nIt(DAVIDSON) = 40 Energy at sites (4, 5) is -107.328403937483 Stats: nIt(DAVIDSON) = 18 Energy at sites (3, 4) is -107.328478606826 Stats: nIt(DAVIDSON) = 6 Energy at sites (2, 3) is -107.328479234332 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328479234332 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 6.439451 seconds *** |--> S.join = 0.021876 seconds *** |--> S.solve = 6.186484 seconds *** |--> S.split = 0.039471 seconds *** |--> Tensor update = 0.19011 seconds *** |--> create = 0.032875 seconds *** |--> destroy = 0.002925 seconds *** |--> disk write = 0.052113 seconds *** |--> disk read = 0.031113 seconds *** |--> calc = 0.070955 seconds *** Disk write bandwidth = 15.7117537100867 MB/s *** Disk read bandwidth = 26.2000661682064 MB/s *** Minimum energy = -107.328479234332 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328479234332 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328479234332 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328479234332 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.328479234623 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -107.328479274585 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.346282048869 Stats: nIt(DAVIDSON) = 5 Energy at sites (6, 7) is -107.346287506496 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346287506496 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 1.161744 seconds *** |--> S.join = 0.025699 seconds *** |--> S.solve = 0.935474 seconds *** |--> S.split = 0.030206 seconds *** |--> Tensor update = 0.167857 seconds *** |--> create = 0.028012 seconds *** |--> destroy = 0.002828 seconds *** |--> disk write = 0.041732 seconds *** |--> disk read = 0.026479 seconds *** |--> calc = 0.068696 seconds *** Disk write bandwidth = 19.5332756324021 MB/s *** Disk read bandwidth = 30.9221126588523 MB/s *** Minimum energy = -107.346287506496 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.346287506496 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346287506497 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346287506496 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346287506496 Stats: nIt(DAVIDSON) = 5 Energy at sites (5, 6) is -107.346287511413 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.346324755105 Stats: nIt(DAVIDSON) = 7 Energy at sites (3, 4) is -107.346325829685 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.346325831229 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346325831229 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 1.033155 seconds *** |--> S.join = 0.022507 seconds *** |--> S.solve = 0.789487 seconds *** |--> S.split = 0.032147 seconds *** |--> Tensor update = 0.187601 seconds *** |--> create = 0.028013 seconds *** |--> destroy = 0.002926 seconds *** |--> disk write = 0.04396 seconds *** |--> disk read = 0.02855 seconds *** |--> calc = 0.084026 seconds *** Disk write bandwidth = 18.6257193151445 MB/s *** Disk read bandwidth = 28.5521071345501 MB/s *** Minimum energy = -107.346325831229 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346325831229 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346325831229 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346325831229 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346325831229 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346325832226 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.346326102318 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.346326111285 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326111285 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.807271 seconds *** |--> S.join = 0.019569 seconds *** |--> S.solve = 0.556777 seconds *** |--> S.split = 0.044574 seconds *** |--> Tensor update = 0.177463 seconds *** |--> create = 0.028912 seconds *** |--> destroy = 0.003001 seconds *** |--> disk write = 0.045149 seconds *** |--> disk read = 0.030169 seconds *** |--> calc = 0.070101 seconds *** Disk write bandwidth = 18.0549438235931 MB/s *** Disk read bandwidth = 27.1399987103898 MB/s *** Minimum energy = -107.346326111285 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.86047884148866e-05 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.346326111285 *** Minimum energy encountered during the last sweep = -107.346326111285 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.346326111286 Stats: nIt(DAVIDSON) = 9 Energy at sites (7, 8) is -107.346326111288 Stats: nIt(DAVIDSON) = 12 Energy at sites (6, 7) is -107.346326111289 Stats: nIt(DAVIDSON) = 18 Energy at sites (5, 6) is -107.346326111313 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -107.346326114895 Stats: nIt(DAVIDSON) = 15 Energy at sites (3, 4) is -107.34632611495 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.34632611495 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.34632611495 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 2.481452 seconds *** |--> S.join = 0.025718 seconds *** |--> S.solve = 2.22542 seconds *** |--> S.split = 0.032413 seconds *** |--> Tensor update = 0.191253 seconds *** |--> create = 0.028474 seconds *** |--> destroy = 0.00307 seconds *** |--> disk write = 0.048116 seconds *** |--> disk read = 0.029766 seconds *** |--> calc = 0.081692 seconds *** Disk write bandwidth = 17.0169303577552 MB/s *** Disk read bandwidth = 27.3856970601158 MB/s *** Minimum energy = -107.34632611495 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.34632611495 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.34632611495 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.34632611495 Stats: nIt(DAVIDSON) = 7 Energy at sites (3, 4) is -107.34632611495 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.34632611495 Stats: nIt(DAVIDSON) = 18 Energy at sites (5, 6) is -107.346326115023 Stats: nIt(DAVIDSON) = 9 Energy at sites (6, 7) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115023 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 1.722327 seconds *** |--> S.join = 0.030711 seconds *** |--> S.solve = 1.488727 seconds *** |--> S.split = 0.031172 seconds *** |--> Tensor update = 0.170081 seconds *** |--> create = 0.028509 seconds *** |--> destroy = 0.003225 seconds *** |--> disk write = 0.042587 seconds *** |--> disk read = 0.028354 seconds *** |--> calc = 0.067267 seconds *** Disk write bandwidth = 19.141114863489 MB/s *** Disk read bandwidth = 28.8772878991941 MB/s *** Minimum energy = -107.346326115023 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.73805164599617e-09 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115023 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.346326115023 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115024 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 1.310437 seconds *** |--> S.join = 0.018735 seconds *** |--> S.solve = 1.085742 seconds *** |--> S.split = 0.03699 seconds *** |--> Tensor update = 0.16663 seconds *** |--> create = 0.027604 seconds *** |--> destroy = 0.002951 seconds *** |--> disk write = 0.041533 seconds *** |--> disk read = 0.026342 seconds *** |--> calc = 0.068077 seconds *** Disk write bandwidth = 19.7141218090133 MB/s *** Disk read bandwidth = 30.945359452259 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.346326115024 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.346326115024 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.346326115024 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 = 1.091265 seconds *** |--> S.join = 0.038754 seconds *** |--> S.solve = 0.846348 seconds *** |--> S.split = 0.035022 seconds *** |--> Tensor update = 0.167233 seconds *** |--> create = 0.028318 seconds *** |--> destroy = 0.002799 seconds *** |--> disk write = 0.041679 seconds *** |--> disk read = 0.027145 seconds *** |--> calc = 0.0671530000000001 seconds *** Disk write bandwidth = 19.5581146066702 MB/s *** Disk read bandwidth = 30.1634415580678 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.53477230924182e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.346326115025 *** Minimum energy encountered during the last sweep = -107.346326115024 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025 NOON of irrep Ag = [ 1.99999018535326 , 1.9929217523786 , 1.03221285759574 ]. NOON of irrep B2g = [ 1.02415310248382 ]. NOON of irrep B3g = [ 0.0896934286676801 ]. NOON of irrep B1u = [ 1.99999295584651 , 1.950391542729 , 0.0159495094253855 ]. NOON of irrep B2u = [ 1.91962159306252 ]. NOON of irrep B3u = [ 1.97507307245747 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322999080176 , 0.0447141490410858 , 0.83896699174775 , 0.790658960741004 , 0.317368560622463 , 9.24989502159295e-05 , 0.227634117699181 , 0.0907424578228503 , 0.29965280436096 , 0.133979297113088 ]. Idistance(0) = 1.5721540774109 Idistance(1) = 5.15805448117463 Idistance(2) = 21.9866410049085 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.730679 seconds *** |--> MPS gauge change = 0.171612 seconds *** |--> Diagram calc = 0.092659 seconds *** |--> Tensor update = 0.464403 seconds *** |--> create = 0.066617 seconds *** |--> destroy = 0.007831 seconds *** |--> disk write = 0.104093 seconds *** |--> disk read = 0.067222 seconds *** |--> calc = 0.218202 seconds *** Disk write bandwidth = 15.9555953204481 MB/s *** Disk read bandwidth = 24.7071759794622 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 = 0.035895 seconds FCI::matvec : Wall time = 0.545529 seconds FCI::matvec : Wall time = 0.650707 seconds FCI::matvec : Wall time = 1.519038 seconds FCI::matvec : Wall time = 1.954663 seconds FCI::matvec : Wall time = 0.005065 seconds FCI::matvec : Wall time = 1.218118 seconds FCI::matvec : Wall time = 0.005652 seconds FCI::matvec : Wall time = 1.366124 seconds FCI::matvec : Wall time = 0.048399 seconds FCI::matvec : Wall time = 0.426162 seconds FCI::matvec : Wall time = 0.01217 seconds FCI::matvec : Wall time = 0.665292 seconds FCI::matvec : Wall time = 0.172645 seconds FCI::matvec : Wall time = 1.359983 seconds FCI::matvec : Wall time = 0.170855 seconds FCI::matvec : Wall time = 1.106938 seconds FCI::matvec : Wall time = 0.099134 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 ('RMS difference FCI and DMRG determinant coefficients =', 2.1933427508954357e-08) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2017 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along 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 -103.249495059159 Stats: nIt(DAVIDSON) = 28 Energy at sites (7, 8) is -106.650709488236 Stats: nIt(DAVIDSON) = 51 Energy at sites (6, 7) is -106.951001374196 Stats: nIt(DAVIDSON) = 58 Energy at sites (5, 6) is -107.184696251114 Stats: nIt(DAVIDSON) = 43 Energy at sites (4, 5) is -107.188283383816 Stats: nIt(DAVIDSON) = 36 Energy at sites (3, 4) is -107.199495620018 Stats: nIt(DAVIDSON) = 11 Energy at sites (2, 3) is -107.199514336455 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199514336455 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 7.331112 seconds *** |--> S.join = 0.031875 seconds *** |--> S.solve = 7.085341 seconds *** |--> S.split = 0.029986 seconds *** |--> Tensor update = 0.181438 seconds *** |--> create = 0.027568 seconds *** |--> destroy = 0.003395 seconds *** |--> disk write = 0.042047 seconds *** |--> disk read = 0.028991 seconds *** |--> calc = 0.079307 seconds *** Disk write bandwidth = 20.0056815954282 MB/s *** Disk read bandwidth = 28.8901704543005 MB/s *** Minimum energy = -107.199514336455 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199514336455 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199514336456 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199514336455 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199514342177 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199530249158 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.199598650913 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.199617048077 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617048077 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 1.748447 seconds *** |--> S.join = 0.024846 seconds *** |--> S.solve = 1.503715 seconds *** |--> S.split = 0.031758 seconds *** |--> Tensor update = 0.180308 seconds *** |--> create = 0.028195 seconds *** |--> destroy = 0.003112 seconds *** |--> disk write = 0.044214 seconds *** |--> disk read = 0.02737 seconds *** |--> calc = 0.077265 seconds *** Disk write bandwidth = 18.943206487552 MB/s *** Disk read bandwidth = 30.7336095740946 MB/s *** Minimum energy = -107.199617048077 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.199617048077 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199617048077 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617048077 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617048077 Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -107.199617332291 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -107.199617363419 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421049 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.199617421349 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421349 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 1.193131 seconds *** |--> S.join = 0.031917 seconds *** |--> S.solve = 0.951426 seconds *** |--> S.split = 0.033302 seconds *** |--> Tensor update = 0.17484 seconds *** |--> create = 0.027328 seconds *** |--> destroy = 0.00295 seconds *** |--> disk write = 0.043481 seconds *** |--> disk read = 0.029192 seconds *** |--> calc = 0.071751 seconds *** Disk write bandwidth = 19.3458957715547 MB/s *** Disk read bandwidth = 28.6912486859628 MB/s *** Minimum energy = -107.199617421349 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421349 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421349 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421349 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617421349 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.19961742142 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -107.199617421687 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.199617421905 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421905 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.625827 seconds *** |--> S.join = 0.032048 seconds *** |--> S.solve = 0.350881 seconds *** |--> S.split = 0.037026 seconds *** |--> Tensor update = 0.198777 seconds *** |--> create = 0.029255 seconds *** |--> destroy = 0.003263 seconds *** |--> disk write = 0.045551 seconds *** |--> disk read = 0.030843 seconds *** |--> calc = 0.089702 seconds *** Disk write bandwidth = 18.3871908770526 MB/s *** Disk read bandwidth = 27.2729272134024 MB/s *** Minimum energy = -107.199617421905 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.73828072497417e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.199617421905 *** Minimum energy encountered during the last sweep = -107.199617421905 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.199617421907 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.19961742191 Stats: nIt(DAVIDSON) = 16 Energy at sites (6, 7) is -107.199617421915 Stats: nIt(DAVIDSON) = 21 Energy at sites (5, 6) is -107.199617421915 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.199617421917 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 2.87437 seconds *** |--> S.join = 0.016969 seconds *** |--> S.solve = 2.651201 seconds *** |--> S.split = 0.033463 seconds *** |--> Tensor update = 0.169994 seconds *** |--> create = 0.027792 seconds *** |--> destroy = 0.003223 seconds *** |--> disk write = 0.044295 seconds *** |--> disk read = 0.029478 seconds *** |--> calc = 0.065071 seconds *** Disk write bandwidth = 18.9903802696234 MB/s *** Disk read bandwidth = 28.4128818658194 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.199617421919 Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -107.199617421919 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 1.518335 seconds *** |--> S.join = 0.043251 seconds *** |--> S.solve = 1.242761 seconds *** |--> S.split = 0.033959 seconds *** |--> Tensor update = 0.196511 seconds *** |--> create = 0.028719 seconds *** |--> destroy = 0.003053 seconds *** |--> disk write = 0.044015 seconds *** |--> disk read = 0.030775 seconds *** |--> calc = 0.0898 seconds *** Disk write bandwidth = 19.0288522467483 MB/s *** Disk read bandwidth = 27.3331890834433 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.37845290737459e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.199617421919 *** Minimum energy encountered during the last sweep = -107.199617421919 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 NOON of irrep Ag = [ 1.99998814651078 , 1.98924041562717 , 1.87687858001108 ]. NOON of irrep B2g = [ 0.139387811438628 ]. NOON of irrep B3g = [ 1.03112739693721 ]. NOON of irrep B1u = [ 1.99999431244149 , 1.10839164062458 , 0.0211636956518185 ]. NOON of irrep B2u = [ 1.96715797368321 ]. NOON of irrep B3u = [ 1.86667002707404 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980007435798 , 0.0818410216267598 , 0.449623198033014 , 0.486645056015225 , 0.811029481549911 , 6.68868117164045e-05 , 0.962046613567652 , 0.112095070231771 , 0.167176149921347 , 0.47508246161918 ]. Idistance(0) = 2.38445939312661 Idistance(1) = 9.57998274392184 Idistance(2) = 47.8783647097857 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.754227 seconds *** |--> MPS gauge change = 0.15298 seconds *** |--> Diagram calc = 0.066673 seconds *** |--> Tensor update = 0.532906 seconds *** |--> create = 0.06537 seconds *** |--> destroy = 0.008103 seconds *** |--> disk write = 0.103891 seconds *** |--> disk read = 0.066889 seconds *** |--> calc = 0.28821 seconds *** Disk write bandwidth = 16.4176909413697 MB/s *** Disk read bandwidth = 25.4997133996598 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 = 0.197932 seconds FCI::matvec : Wall time = 1.104464 seconds FCI::matvec : Wall time = 0.714387 seconds FCI::matvec : Wall time = 1.489926 seconds FCI::matvec : Wall time = 0.161827 seconds FCI::matvec : Wall time = 2.278926 seconds FCI::matvec : Wall time = 2.179007 seconds FCI::matvec : Wall time = 1.486173 seconds FCI::matvec : Wall time = 0.004744 seconds FCI::matvec : Wall time = 0.004361 seconds FCI::matvec : Wall time = 0.56845 seconds FCI::matvec : Wall time = 0.006823 seconds FCI::matvec : Wall time = 0.010734 seconds FCI::matvec : Wall time = 0.648582 seconds FCI::matvec : Wall time = 1.726129 seconds FCI::matvec : Wall time = 0.004809 seconds FCI::matvec : Wall time = 0.004639 seconds FCI::matvec : Wall time = 1.423323 seconds FCI::matvec : Wall time = 1.374138 seconds FCI::matvec : Wall time = 0.136121 seconds FCI::matvec : Wall time = 0.208871 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 ('RMS difference FCI and DMRG determinant coefficients =', 6.0685981115949659e-09) Info on DMRG::operators rm call to system: 0 ================> Did test 1 succeed : yes make[1]: Leaving directory '/<>' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary-arch dh binary-arch --with python2 create-stamp debian/debhelper-build-stamp dh_testroot -a dh_prep -a debian/rules override_dh_auto_install make[1]: Entering directory '/<>' dh_auto_install make -j1 install DESTDIR=/<>/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/<>/obj-aarch64-linux-gnu' make[3]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 65%] Built target chemps2-base make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 66%] Built target chemps2-static make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 67%] Built target chemps2-shared make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 69%] Built target chemps2-bin make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 71%] Built target test5 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 73%] Built target test14 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 76%] Built target test4 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 78%] Built target test6 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 80%] Built target test11 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 82%] Built target test7 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 84%] Built target test2 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 86%] Built target test12 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 89%] Built target test8 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 91%] Built target test1 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 93%] Built target test3 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 95%] Built target test9 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [ 97%] Built target test13 make[4]: Entering directory '/<>/obj-aarch64-linux-gnu' make[4]: Leaving directory '/<>/obj-aarch64-linux-gnu' [100%] Built target test10 make[3]: Leaving directory '/<>/obj-aarch64-linux-gnu' Install the project... -- Install configuration: "release" -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Config.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2ConfigVersion.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/FindTargetHDF5.cmake -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/libchemps2.so.2 -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/libchemps2.so -- Set runtime path of "/<>/debian/tmp/usr/lib/aarch64-linux-gnu/libchemps2.so.2" to "" -- Installing: /<>/debian/tmp/usr/bin/chemps2 -- Set runtime path of "/<>/debian/tmp/usr/bin/chemps2" to "" -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/libchemps2.a -- Up-to-date: /<>/debian/tmp/usr/bin/chemps2 -- Installing: /<>/debian/tmp/usr/include/chemps2 -- Installing: /<>/debian/tmp/usr/include/chemps2/DIIS.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TwoDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ThreeDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFindices.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Initialize.h -- Installing: /<>/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Correlations.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorS1.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Options.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRG.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorF1.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorQ.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorOperator.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorGYZ.h -- Installing: /<>/debian/tmp/usr/include/chemps2/MyHDF5.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Problem.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ConjugateGradient.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Irreps.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorT.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Lapack.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorKM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorS0.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorX.h -- Installing: /<>/debian/tmp/usr/include/chemps2/SyBookkeeper.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Wigner.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TwoIndex.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Hamiltonian.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Molden.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Heff.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ConvergenceScheme.h -- Installing: /<>/debian/tmp/usr/include/chemps2/FourIndex.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Excitation.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorO.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Sobject.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorL.h -- Installing: /<>/debian/tmp/usr/include/chemps2/MPIchemps2.h -- Installing: /<>/debian/tmp/usr/include/chemps2/FCI.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorF0.h -- Installing: /<>/debian/tmp/usr/include/chemps2/CASSCF.h -- Installing: /<>/debian/tmp/usr/include/chemps2/CASPT2.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Tensor3RDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Special.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Tensor.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Cumulant.h -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static-release.cmake make[2]: Leaving directory '/<>/obj-aarch64-linux-gnu' # This will skip the build as it is already performed cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py install --root=../debian/tmp --install-layout=deb running install running build running build_ext skipping 'PyCheMPS2.cpp' Cython extension (up-to-date) running install_lib creating ../debian/tmp/usr/lib/python2.7 creating ../debian/tmp/usr/lib/python2.7/dist-packages copying build/lib.linux-aarch64-2.7/PyCheMPS2.so -> ../debian/tmp/usr/lib/python2.7/dist-packages running install_egg_info Writing ../debian/tmp/usr/lib/python2.7/dist-packages/CheMPS2-1.8.4.egg-info dh_numpy make[1]: Leaving directory '/<>' dh_install -a dh_installdocs -a debian/rules override_dh_installchangelogs make[1]: Entering directory '/<>' dh_installchangelogs -k CHANGELOG.md make[1]: Leaving directory '/<>' dh_installman -a dh_python2 -a I: dh_python2 fs:322: renaming PyCheMPS2.so to PyCheMPS2.aarch64-linux-gnu.so dh_perl -a dh_link -a dh_strip_nondeterminism -a dh_compress -a dh_fixperms -a dh_strip -a strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/CASPT2.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/CASSCF.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/CASSCFdebug.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/CASSCFpt2.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/ConjugateGradient.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/ConvergenceScheme.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Correlations.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Cumulant.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Davidson.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DIIS.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRG.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGfock.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGmpsio.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGoperators.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGSCFindices.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGSCFoptions.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGSCFrotations.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGSCFunitary.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/DMRGtechnics.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Excitation.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/FCI.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/FourIndex.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Hamiltonian.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Heff.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/HeffDiagonal.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/HeffDiagrams1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/HeffDiagrams2.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/HeffDiagrams3.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/HeffDiagrams4.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/HeffDiagrams5.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Initialize.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Irreps.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Molden.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/PrintLicense.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Problem.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Sobject.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/SyBookkeeper.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Tensor3RDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorF0.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorF1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorGYZ.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorKM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorL.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorO.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorOperator.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorQ.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorS0.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorS1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorT.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TensorX.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/ThreeDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TwoDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/TwoIndex.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/aarch64-linux-gnu/stIwaQQA/Wigner.cpp.o: plugin needed to handle lto object dh_makeshlibs -a dpkg-gensymbols: warning: debian/libchemps2-2/DEBIAN/symbols doesn't match completely debian/libchemps2-2.symbols --- debian/libchemps2-2.symbols (libchemps2-2_1.8.4-1_arm64) +++ dpkg-gensymbolszxKoTh 2017-05-24 06:16:38.418040503 +0000 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.7 _ZN7CheMPS216DMRGSCFintegralsD2Ev@Base 1.7 - (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.7 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.7 (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8 - (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileExxx@Base 1.8 - (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.7 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileExxx@Base 1.8 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.7 (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEllPdiii@Base 1.8 - (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileExxPdiii@Base 1.8 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileExxPdiii@Base 1.8 _ZN7CheMPS216DMRGSCFrotations13package_firstEPdS1_iii@Base 1.7 _ZN7CheMPS216DMRGSCFrotations15blockwise_firstEPdS1_iiiS1_ii@Base 1.7 _ZN7CheMPS216DMRGSCFrotations15blockwise_thirdEPdS1_iiiS1_ii@Base 1.7 @@ -159,12 +159,12 @@ _ZN7CheMPS216DMRGSCFrotations5writeEPdPNS_9FourIndexEPNS_16DMRGSCFintegralsEcccciiiiPNS_14DMRGSCFindicesEiib@Base 1.7 _ZN7CheMPS216DMRGSCFrotations6rotateEPKNS_9FourIndexEPS1_PNS_16DMRGSCFintegralsEccccPNS_14DMRGSCFindicesEPNS_14DMRGSCFunitaryEPdSB_iNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 _ZN7CheMPS216DMRGSCFrotations9dimensionEPNS_14DMRGSCFindicesEic@Base 1.7 - (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPlS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 - (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPxS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 - (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.7 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPxS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.7 (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEllPdiii@Base 1.8 - (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileExxPdiii@Base 1.8 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileExxPdiii@Base 1.8 _ZN7CheMPS217ConjugateGradient12apply_preconEPd@Base 1.7 _ZN7CheMPS217ConjugateGradient12apply_preconEPdS1_@Base 1.7 _ZN7CheMPS217ConjugateGradient4stepEPPd@Base 1.7 @@ -243,12 +243,12 @@ _ZN7CheMPS24DMRG16symm_4rdm_helperEPdiiddbd@Base 1.7 _ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.7 _ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.7 - (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 - (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 - (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 - (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 +#MISSING: 1.8.4-1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 _ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.7 _ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.7 _ZN7CheMPS24DMRG20updateMovingLeftSafeEi@Base 1.7 dh_shlibdeps -a dpkg-shlibdeps: warning: tried to merge the same object (ld-linux-aarch64.so.1) twice in a symfile dpkg-shlibdeps: warning: tried to merge the same object (ld-linux-aarch64.so.1) twice in a symfile dpkg-shlibdeps: warning: tried to merge the same object (ld-linux-aarch64.so.1) twice in a symfile dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-chemps2/usr/lib/python2.7/dist-packages/PyCheMPS2.aarch64-linux-gnu.so was not linked against libpthread.so.0 (it uses none of the library's symbols) dh_installdeb -a dh_gencontrol -a dpkg-gencontrol: warning: package libchemps2-2: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: package libchemps2-2: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: Depends field of package libchemps2-dev: unknown substitution variable ${shlibs:Depends} dpkg-gencontrol: warning: package libchemps2-dev: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: package chemps2: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: package chemps2: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Provides} dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions} dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions} dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Provides} dh_md5sums -a dh_builddeb -a INFO: pkgstriptranslations version 131 INFO: pkgstriptranslations version 131 INFO: pkgstriptranslations version 131 INFO: pkgstriptranslations version 131 pkgstriptranslations: processing chemps2-dbgsym (in debian/.debhelper/chemps2/dbgsym-root); do_strip: , oemstrip: pkgstriptranslations: processing python-chemps2-dbgsym (in debian/.debhelper/python-chemps2/dbgsym-root); do_strip: , oemstrip: pkgstriptranslations: processing libchemps2-2-dbgsym (in debian/.debhelper/libchemps2-2/dbgsym-root); do_strip: , oemstrip: pkgstriptranslations: processing libchemps2-dev (in debian/libchemps2-dev); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/.debhelper/chemps2/dbgsym-root/DEBIAN/control, package chemps2-dbgsym, directory debian/.debhelper/chemps2/dbgsym-root pkgstripfiles: Running PNG optimization (using 4 cpus) for package chemps2-dbgsym ... pkgstripfiles: No PNG files. dpkg-deb: building package 'chemps2-dbgsym' in 'debian/.debhelper/scratch-space/build-chemps2/chemps2-dbgsym_1.8.4-1_arm64.deb'. pkgstripfiles: processing control file: debian/.debhelper/python-chemps2/dbgsym-root/DEBIAN/control, package python-chemps2-dbgsym, directory debian/.debhelper/python-chemps2/dbgsym-root pkgstripfiles: Running PNG optimization (using 4 cpus) for package python-chemps2-dbgsym ... pkgstripfiles: No PNG files. dpkg-deb: building package 'python-chemps2-dbgsym' in 'debian/.debhelper/scratch-space/build-python-chemps2/python-chemps2-dbgsym_1.8.4-1_arm64.deb'. Renaming chemps2-dbgsym_1.8.4-1_arm64.deb to chemps2-dbgsym_1.8.4-1_arm64.ddeb Renaming python-chemps2-dbgsym_1.8.4-1_arm64.deb to python-chemps2-dbgsym_1.8.4-1_arm64.ddeb INFO: pkgstriptranslations version 131 INFO: pkgstriptranslations version 131 pkgstriptranslations: processing chemps2 (in debian/chemps2); do_strip: , oemstrip: pkgstriptranslations: processing python-chemps2 (in debian/python-chemps2); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/chemps2/DEBIAN/control, package chemps2, directory debian/chemps2 .. removing usr/share/doc/chemps2/changelog.gz INFO: pkgstripfiles: waiting for lock (chemps2) ... pkgstripfiles: processing control file: debian/python-chemps2/DEBIAN/control, package python-chemps2, directory debian/python-chemps2 .. removing usr/share/doc/python-chemps2/changelog.gz INFO: pkgstripfiles: waiting for lock (python-chemps2) ... pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " INFO: pkgstripfiles: waiting for lock (chemps2) ... pkgstripfiles: processing control file: debian/.debhelper/libchemps2-2/dbgsym-root/DEBIAN/control, package libchemps2-2-dbgsym, directory debian/.debhelper/libchemps2-2/dbgsym-root pkgstripfiles: Running PNG optimization (using 4 cpus) for package libchemps2-2-dbgsym ... pkgstripfiles: No PNG files. dpkg-deb: building package 'libchemps2-2-dbgsym' in 'debian/.debhelper/scratch-space/build-libchemps2-2/libchemps2-2-dbgsym_1.8.4-1_arm64.deb'. INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... Renaming libchemps2-2-dbgsym_1.8.4-1_arm64.deb to libchemps2-2-dbgsym_1.8.4-1_arm64.ddeb INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstriptranslations version 131 INFO: pkgstripfiles: waiting for lock (python-chemps2) ... pkgstriptranslations: processing libchemps2-2 (in debian/libchemps2-2); do_strip: , oemstrip: INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstripfiles: waiting for lock (python-chemps2) ... pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " INFO: pkgstripfiles: waiting for lock (chemps2) ... pkgstripfiles: processing control file: debian/libchemps2-2/DEBIAN/control, package libchemps2-2, directory debian/libchemps2-2 .. removing usr/share/doc/libchemps2-2/changelog.gz pkgstripfiles: Truncating usr/share/doc/libchemps2-2/changelog.Debian.gz to topmost ten records pkgstripfiles: Running PNG optimization (using 4 cpus) for package libchemps2-2 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'libchemps2-2' in '../libchemps2-2_1.8.4-1_arm64.deb'. INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... pkgstripfiles: processing control file: debian/libchemps2-dev/DEBIAN/control, package libchemps2-dev, directory debian/libchemps2-dev .. removing usr/share/doc/libchemps2-dev/changelog.gz Searching for duplicated docs in dependency libchemps2-2... symlinking changelog.Debian.gz in libchemps2-dev to file in libchemps2-2 pkgstripfiles: Running PNG optimization (using 4 cpus) for package libchemps2-dev ... pkgstripfiles: No PNG files. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.4-1_arm64.deb'. INFO: pkgstripfiles: waiting for lock (python-chemps2) ... Searching for duplicated docs in dependency libchemps2-2... symlinking changelog.Debian.gz in chemps2 to file in libchemps2-2 pkgstripfiles: Running PNG optimization (using 4 cpus) for package chemps2 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'chemps2' in '../chemps2_1.8.4-1_arm64.deb'. Searching for duplicated docs in dependency libchemps2-2... symlinking changelog.Debian.gz in python-chemps2 to file in libchemps2-2 pkgstripfiles: Running PNG optimization (using 4 cpus) for package python-chemps2 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.8.4-1_arm64.deb'. dpkg-genbuildinfo --build=any dpkg-genchanges --build=any -mLaunchpad Build Daemon >../chemps2_1.8.4-1_arm64.changes dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included) dpkg-source --after-build chemps2-1.8.4 dpkg-buildpackage: info: binary-only upload (no source included) -------------------------------------------------------------------------------- Build finished at 20170524-0617 Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Post Build Chroot | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Changes | +------------------------------------------------------------------------------+ chemps2_1.8.4-1_arm64.changes: ------------------------------ Format: 1.8 Date: Tue, 23 May 2017 22:19:44 +0200 Source: chemps2 Binary: libchemps2-2 libchemps2-dev chemps2-doc chemps2 python-chemps2 Architecture: arm64 Version: 1.8.4-1 Distribution: artful-proposed Urgency: medium Maintainer: Launchpad Build Daemon Changed-By: Sebastian Wouters Description: chemps2 - Executable to call libchemps2-2 from the command line chemps2-doc - Documentation of the libchemps2-2 package libchemps2-2 - Spin-adapted DMRG for ab initio quantum chemistry libchemps2-dev - C++ headers, static library, and symlink for libchemps2-2 python-chemps2 - Python 2 interface for libchemps2-2 Changes: chemps2 (1.8.4-1) experimental; urgency=medium . * Upstream release v1.8.4 (MOLCAS interface + build system) Checksums-Sha1: 6dc6fe7ceb8fae31e8355c98ee2d7445b134c7cf 76936 chemps2-dbgsym_1.8.4-1_arm64.ddeb 25d67c49d115c63d1ebaef642db0ffd8af968e41 10019 chemps2_1.8.4-1_arm64.buildinfo d0f8c8e20eaa26ce4193edcd0f9dfec271e59819 23482 chemps2_1.8.4-1_arm64.deb 76cb8183eb8306d20ae5759e7b08b721438469ba 1247500 libchemps2-2-dbgsym_1.8.4-1_arm64.ddeb b92ffd4d1236b09e597bcf5ffef842728eaaf969 418600 libchemps2-2_1.8.4-1_arm64.deb 16f947081cf66908af7d08c4568b82bbbed0ad51 6593172 libchemps2-dev_1.8.4-1_arm64.deb 99a45b1e6d8291840ff057cca8dd7f13e0f3c3d1 285866 python-chemps2-dbgsym_1.8.4-1_arm64.ddeb 8daddf659cf81a9bba66ef9e14a9e08b0d99437a 68762 python-chemps2_1.8.4-1_arm64.deb Checksums-Sha256: b867300c5a8ef93bfd52c422b7a4a76460fbe00b1ace1a36873bf60364be9ed9 76936 chemps2-dbgsym_1.8.4-1_arm64.ddeb c853211dfebe1a90d850b7f5fbf8eca5e2b6847eb574e3f342e0dbe8a9073a62 10019 chemps2_1.8.4-1_arm64.buildinfo 81b419c4df033309e1300e857fa196c7fabc0cde141454fa1a341c49d11f846d 23482 chemps2_1.8.4-1_arm64.deb 0424d7f884dbfa30ae5dea6dbc14656d6fadd7eefc19bd8705d5eed7e6f1320d 1247500 libchemps2-2-dbgsym_1.8.4-1_arm64.ddeb 506ef402612c710ca0cda1b2e7b5bbcc6ea21d2385b6bae5d2a576227c3c4e0c 418600 libchemps2-2_1.8.4-1_arm64.deb b33cfb08c4a4c3449586bc54c9e60f3671ab75e940b2e20a11796655c3172a16 6593172 libchemps2-dev_1.8.4-1_arm64.deb 0cb87aa484aabdf362c47dca8b232fa8b0373adcd4268203194d4061e52ec3f7 285866 python-chemps2-dbgsym_1.8.4-1_arm64.ddeb 0ceeb1527ef01dbd4612898ee010b8a628ed395ba232bdf339101e599da7aeec 68762 python-chemps2_1.8.4-1_arm64.deb Files: 7e5e13a919d76dfb6ab84ebbba1b5f87 76936 debug extra chemps2-dbgsym_1.8.4-1_arm64.ddeb ae4ef9415ff258a5f215e66238122bcb 10019 libs optional chemps2_1.8.4-1_arm64.buildinfo 6f3fa1a0de3ed01d132a05dda4581f53 23482 science optional chemps2_1.8.4-1_arm64.deb d57703147109abcdef5011fedc721fa8 1247500 debug extra libchemps2-2-dbgsym_1.8.4-1_arm64.ddeb 39c086d40cc9db0eef0101e3c1715fbc 418600 libs optional libchemps2-2_1.8.4-1_arm64.deb 174c38bd33d80a7fffbd691a6b665699 6593172 libdevel optional libchemps2-dev_1.8.4-1_arm64.deb 6ca772753f9cf13a2237ebdee77944b4 285866 debug extra python-chemps2-dbgsym_1.8.4-1_arm64.ddeb 8be8d1cfa267a8b01942de161eabb781 68762 python optional python-chemps2_1.8.4-1_arm64.deb +------------------------------------------------------------------------------+ | Package contents | +------------------------------------------------------------------------------+ chemps2_1.8.4-1_arm64.deb ------------------------- new debian package, version 2.0. size 23482 bytes: control archive=1261 bytes. 1891 bytes, 39 lines control 182 bytes, 3 lines md5sums Package: chemps2 Version: 1.8.4-1 Architecture: arm64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 82 Depends: libc6 (>= 2.17), libchemps2-2 (= 1.8.4-1), libgcc1 (>= 1:3.3.1), libstdc++6 (>= 5.2) Suggests: chemps2-doc Breaks: libchemps2-1 (<< 1.7-1~) Replaces: libchemps2-1 (<< 1.7-1~) Section: science Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Executable to call libchemps2-2 from the command line chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the executable which parses Hamiltonians in fcidump format, performs DMRG-SCF and DMRG-CASPT2 calculations as specified by the user. drwxr-xr-x root/root 0 2017-05-23 20:19 ./ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/bin/ -rwxr-xr-x root/root 63712 2017-05-23 20:19 ./usr/bin/chemps2 drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/doc/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/doc/chemps2/ lrwxrwxrwx root/root 0 2017-05-23 20:19 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2017-05-23 20:19 ./usr/share/doc/chemps2/changelog.Debian.gz -> ../libchemps2-2/changelog.Debian.gz -rw-r--r-- root/root 1274 2017-05-23 20:19 ./usr/share/doc/chemps2/copyright drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/man/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/man/man1/ -rw-r--r-- root/root 2965 2017-05-23 20:19 ./usr/share/man/man1/chemps2.1.gz libchemps2-2_1.8.4-1_arm64.deb ------------------------------ new debian package, version 2.0. size 418600 bytes: control archive=10256 bytes. 1738 bytes, 34 lines control 375 bytes, 5 lines md5sums 26 bytes, 1 lines shlibs 64090 bytes, 1065 lines symbols 60 bytes, 2 lines triggers Package: libchemps2-2 Source: chemps2 Version: 1.8.4-1 Architecture: arm64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 1300 Depends: libblas3 | libblas.so.3, libc6 (>= 2.17), libgcc1 (>= 1:3.3.1), libgomp1 (>= 4.9), libhdf5-100, liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2) Suggests: chemps2-doc Section: libs Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Spin-adapted DMRG for ab initio quantum chemistry chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. drwxr-xr-x root/root 0 2017-05-23 20:19 ./ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/lib/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/lib/aarch64-linux-gnu/ -rw-r--r-- root/root 1240120 2017-05-23 20:19 ./usr/lib/aarch64-linux-gnu/libchemps2.so.2 drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/doc/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/doc/libchemps2-2/ lrwxrwxrwx root/root 0 2017-05-23 20:19 ./usr/share/doc/libchemps2-2/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 5460 2017-05-23 20:04 ./usr/share/doc/libchemps2-2/FILES.md.gz -rw-r--r-- root/root 2005 2017-05-23 20:04 ./usr/share/doc/libchemps2-2/README.md.gz -rw-r--r-- root/root 951 2017-05-23 20:19 ./usr/share/doc/libchemps2-2/changelog.Debian.gz -rw-r--r-- root/root 1274 2017-05-23 20:19 ./usr/share/doc/libchemps2-2/copyright libchemps2-dev_1.8.4-1_arm64.deb -------------------------------- new debian package, version 2.0. size 6593172 bytes: control archive=2608 bytes. 1720 bytes, 37 lines control 3514 bytes, 53 lines md5sums Package: libchemps2-dev Source: chemps2 Version: 1.8.4-1 Architecture: arm64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 7598 Depends: libchemps2-2 (= 1.8.4-1) Suggests: chemps2-doc Section: libdevel Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: C++ headers, static library, and symlink for libchemps2-2 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2. drwxr-xr-x root/root 0 2017-05-23 20:19 ./ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/include/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/include/chemps2/ -rw-r--r-- root/root 12630 2017-05-23 20:04 ./usr/include/chemps2/CASPT2.h -rw-r--r-- root/root 31090 2017-05-23 20:04 ./usr/include/chemps2/CASSCF.h -rw-r--r-- root/root 3717 2017-05-23 20:04 ./usr/include/chemps2/ConjugateGradient.h -rw-r--r-- root/root 5460 2017-05-23 20:04 ./usr/include/chemps2/ConvergenceScheme.h -rw-r--r-- root/root 14687 2017-05-23 20:04 ./usr/include/chemps2/Correlations.h -rw-r--r-- root/root 10202 2017-05-23 20:04 ./usr/include/chemps2/Cumulant.h -rw-r--r-- root/root 4326 2017-05-23 20:04 ./usr/include/chemps2/DIIS.h -rw-r--r-- root/root 15179 2017-05-23 20:04 ./usr/include/chemps2/DMRG.h -rw-r--r-- root/root 6579 2017-05-23 20:04 ./usr/include/chemps2/DMRGSCFindices.h 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2017-05-23 20:04 ./usr/include/chemps2/Heff.h -rw-r--r-- root/root 1296 2017-05-23 20:04 ./usr/include/chemps2/Initialize.h -rw-r--r-- root/root 7775 2017-05-23 20:04 ./usr/include/chemps2/Irreps.h -rw-r--r-- root/root 2404 2017-05-23 20:04 ./usr/include/chemps2/Lapack.h -rw-r--r-- root/root 12471 2017-05-23 20:04 ./usr/include/chemps2/MPIchemps2.h -rw-r--r-- root/root 2611 2017-05-23 20:04 ./usr/include/chemps2/Molden.h -rw-r--r-- root/root 1184 2017-05-23 20:04 ./usr/include/chemps2/MyHDF5.h -rw-r--r-- root/root 3732 2017-05-23 20:04 ./usr/include/chemps2/Options.h -rw-r--r-- root/root 6815 2017-05-23 20:04 ./usr/include/chemps2/Problem.h -rw-r--r-- root/root 9088 2017-05-23 20:04 ./usr/include/chemps2/Sobject.h -rw-r--r-- root/root 3216 2017-05-23 20:04 ./usr/include/chemps2/Special.h -rw-r--r-- root/root 8295 2017-05-23 20:04 ./usr/include/chemps2/SyBookkeeper.h -rw-r--r-- root/root 3691 2017-05-23 20:04 ./usr/include/chemps2/Tensor.h -rw-r--r-- root/root 5235 2017-05-23 20:04 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./usr/include/chemps2/ThreeDM.h -rw-r--r-- root/root 9993 2017-05-23 20:04 ./usr/include/chemps2/TwoDM.h -rw-r--r-- root/root 3140 2017-05-23 20:04 ./usr/include/chemps2/TwoIndex.h -rw-r--r-- root/root 3713 2017-05-23 20:04 ./usr/include/chemps2/Wigner.h drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/lib/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/lib/aarch64-linux-gnu/ -rw-r--r-- root/root 7340580 2017-05-23 20:19 ./usr/lib/aarch64-linux-gnu/libchemps2.a lrwxrwxrwx root/root 0 2017-05-23 20:19 ./usr/lib/aarch64-linux-gnu/libchemps2.so -> libchemps2.so.2 drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/doc/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/doc/libchemps2-dev/ lrwxrwxrwx root/root 0 2017-05-23 20:19 ./usr/share/doc/libchemps2-dev/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2017-05-23 20:19 ./usr/share/doc/libchemps2-dev/changelog.Debian.gz -> ../libchemps2-2/changelog.Debian.gz -rw-r--r-- root/root 1274 2017-05-23 20:19 ./usr/share/doc/libchemps2-dev/copyright python-chemps2_1.8.4-1_arm64.deb -------------------------------- new debian package, version 2.0. size 68762 bytes: control archive=1266 bytes. 1845 bytes, 36 lines control 259 bytes, 3 lines md5sums Package: python-chemps2 Source: chemps2 Version: 1.8.4-1 Architecture: arm64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 289 Depends: python-numpy (>= 1:1.10.0~b1), python-numpy-abi9, python (<< 2.8), python (>= 2.7~), python:any (<< 2.8), python:any (>= 2.7~), libc6 (>= 2.17), libchemps2-2 (= 1.8.4-1), libgcc1 (>= 1:3.0), libstdc++6 (>= 5.2) Suggests: chemps2-doc Section: python Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Python 2 interface for libchemps2-2 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the library for Python 2. drwxr-xr-x root/root 0 2017-05-23 20:19 ./ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/lib/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/lib/python2.7/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/lib/python2.7/dist-packages/ -rw-r--r-- root/root 795 2017-05-23 20:19 ./usr/lib/python2.7/dist-packages/CheMPS2-1.8.4.egg-info -rw-r--r-- root/root 278440 2017-05-23 20:19 ./usr/lib/python2.7/dist-packages/PyCheMPS2.aarch64-linux-gnu.so drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/doc/ drwxr-xr-x root/root 0 2017-05-23 20:19 ./usr/share/doc/python-chemps2/ lrwxrwxrwx root/root 0 2017-05-23 20:19 ./usr/share/doc/python-chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2017-05-23 20:19 ./usr/share/doc/python-chemps2/changelog.Debian.gz -> ../libchemps2-2/changelog.Debian.gz -rw-r--r-- root/root 1274 2017-05-23 20:19 ./usr/share/doc/python-chemps2/copyright +------------------------------------------------------------------------------+ | Post Build | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Cleanup | +------------------------------------------------------------------------------+ Not removing build depends: as requested Keeping session: +------------------------------------------------------------------------------+ | Summary | +------------------------------------------------------------------------------+ Build Architecture: arm64 Build-Space: 73908 Build-Time: 550 Distribution: artful-proposed Host Architecture: arm64 Install-Time: 97 Job: chemps2_1.8.4-1.dsc Machine Architecture: arm64 Package: chemps2 Package-Time: 650 Source-Version: 1.8.4-1 Space: 73908 Status: successful Version: 1.8.4-1 -------------------------------------------------------------------------------- Finished at 20170524-0617 Build needed 00:10:50, 73908k disc space RUN: /usr/share/launchpad-buildd/slavebin/scan-for-processes ['scan-for-processes', 'PACKAGEBUILD-12630011'] Scanning for processes to kill in build /home/buildd/build-PACKAGEBUILD-12630011/chroot-autobuild... RUN: /usr/share/launchpad-buildd/slavebin/umount-chroot ['umount-chroot', 'PACKAGEBUILD-12630011'] Unmounting chroot for build PACKAGEBUILD-12630011... RUN: /usr/share/launchpad-buildd/slavebin/remove-build ['remove-build', 'PACKAGEBUILD-12630011'] Removing build PACKAGEBUILD-12630011