chemps2 →
1.6-1 →
armhf → 2015-09-21 19:59:28
sbuild (Debian sbuild) 0.65.2 (24 Mar 2015) on bm-wb-04
╔══════════════════════════════════════════════════════════════════════════════╗
║ chemps2 1.6-1 (armhf) 21 Sep 2015 19:31 ║
╚══════════════════════════════════════════════════════════════════════════════╝
Package: chemps2
Version: 1.6-1
Source Version: 1.6-1
Distribution: stretch-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf
I: NOTICE: Log filtering will replace 'build/chemps2-1raOY0/chemps2-1.6' with '«PKGBUILDDIR»'
I: NOTICE: Log filtering will replace 'build/chemps2-1raOY0' with '«BUILDDIR»'
I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/stretch-staging-armhf-sbuild-92cc0c49-0961-44c5-b760-fd8a8d9fe0de' with '«CHROOT»'
┌──────────────────────────────────────────────────────────────────────────────┐
│ Update chroot │
└──────────────────────────────────────────────────────────────────────────────┘
Get:1 http://172.17.0.1 stretch-staging InRelease [11.3 kB]
Get:2 http://172.17.0.1 stretch-staging/main Sources [8313 kB]
Get:3 http://172.17.0.1 stretch-staging/main armhf Packages [10.2 MB]
Ign http://172.17.0.1 stretch-staging/main Translation-en
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Reading package lists...
┌──────────────────────────────────────────────────────────────────────────────┐
│ Fetch source files │
└──────────────────────────────────────────────────────────────────────────────┘
Check APT
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Checking available source versions...
Download source files with APT
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Reading package lists...
Building dependency tree...
Reading state information...
NOTICE: 'chemps2' packaging is maintained in the 'Git' version control system at:
git://anonscm.debian.org/debichem/packages/chemps2.git
Need to get 729 kB of source archives.
Get:1 http://172.17.0.1/private/ stretch-staging/main chemps2 1.6-1 (dsc) [2424 B]
Get:2 http://172.17.0.1/private/ stretch-staging/main chemps2 1.6-1 (tar) [716 kB]
Get:3 http://172.17.0.1/private/ stretch-staging/main chemps2 1.6-1 (diff) [11.1 kB]
Fetched 729 kB in 0s (3284 kB/s)
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Check architectures
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Merged Build-Depends: build-essential, fakeroot
Filtered Build-Depends: build-essential, fakeroot
dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/«BUILDDIR»/resolver-JHiXG9/apt_archive/sbuild-build-depends-core-dummy.deb'.
OK
Ign file: ./ InRelease
Get:1 file: ./ Release.gpg [299 B]
Get:2 file: ./ Release [2119 B]
Ign file: ./ Translation-en
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┌──────────────────────────────────────────────────────────────────────────────┐
│ 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
debconf: delaying package configuration, since apt-utils is not installed
0 upgraded, 1 newly installed, 0 to remove and 21 not upgraded.
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(Reading database ... 12875 files and directories currently installed.)
Preparing to unpack .../sbuild-build-depends-core-dummy.deb ...
Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ...
Setting up sbuild-build-depends-core-dummy (0.invalid.0) ...
Merged Build-Depends: libc6-dev | libc-dev, gcc (>= 4:4.9.1), g++ (>= 4:4.9.1), make, dpkg-dev (>= 1.17.11), debhelper (>= 9), cmake (>= 2.8.11), libatlas-base-dev, libgsl0-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: libc6-dev, gcc (>= 4:4.9.1), g++ (>= 4:4.9.1), make, dpkg-dev (>= 1.17.11), debhelper (>= 9), cmake (>= 2.8.11), libatlas-base-dev, libgsl0-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 '/«BUILDDIR»/resolver-xwtKYM/apt_archive/sbuild-build-depends-chemps2-dummy.deb'.
OK
Ign file: ./ InRelease
Get:1 file: ./ Release.gpg [299 B]
Get:2 file: ./ Release [2119 B]
Ign file: ./ Translation-en
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 extra packages will be installed:
bsdmainutils cmake cmake-data cpp-5 cython debhelper dh-python
docutils-common file fonts-font-awesome fonts-lato fonts-mathjax g++-5 gcc-5
gcc-5-base gettext gettext-base groff-base hdf5-helpers intltool-debian
libarchive13 libasan2 libatlas-base-dev libatlas-dev libatlas3-base
libatomic1 libblas-common libblas-dev libblas3 libcc1-0 libcroco3 libcurl3
libexpat1 libexpat1-dev libffi6 libgcc-5-dev libgcc1 libgfortran3
libglib2.0-0 libgnutls-deb0-28 libgomp1 libgsl0-dev libgsl0ldbl
libgssapi-krb5-2 libhdf5-8 libhdf5-cpp-8 libhdf5-dev libhogweed4 libidn11
libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev libjs-jquery libjs-mathjax
libjs-modernizr libjs-sphinxdoc libjs-underscore libjsoncpp0v5 libk5crypto3
libkeyutils1 libkrb5-3 libkrb5support0 libldap-2.4-2 liblzo2-2 libmagic1
libmpdec2 libnettle6 libp11-kit0 libpipeline1 libpython-dev libpython-stdlib
libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib
libpython3-stdlib libpython3.4-minimal libpython3.4-stdlib librtmp1
libsasl2-2 libsasl2-modules-db libsqlite3-0 libssh2-1 libssl1.0.0
libstdc++-5-dev libstdc++6 libtasn1-6 libubsan0 libunistring0 libxml2 man-db
mime-support po-debconf python python-alabaster python-all python-babel
python-babel-localedata python-docutils python-jinja2 python-markupsafe
python-minimal python-numpy python-pkg-resources python-pygments
python-roman python-setuptools python-six python-sphinx
python-sphinx-rtd-theme python-tz python2.7 python2.7-minimal python3
python3-minimal python3.4 python3.4-minimal sgml-base sphinx-common
sphinx-rtd-theme-common xml-core zlib1g-dev
Suggested packages:
wamerican wordlist whois vacation codeblocks eclipse ninja-build
gcc-5-locales cython-doc dh-make gcc-5-doc libstdc++6-5-dbg libgcc1-dbg
libgomp1-dbg libitm1-dbg libatomic1-dbg libasan2-dbg liblsan0-dbg
libtsan0-dbg libubsan0-dbg libcilkrts5-dbg libmpx0-dbg libquadmath-dbg
gettext-doc autopoint libasprintf-dev libgettextpo-dev groff lrzip
libblas-doc liblapack-doc liblapack-dev liblapack3 gnutls-bin gsl-ref-psdoc
gsl-doc-pdf gsl-doc-info gsl-ref-html krb5-doc krb5-user libhdf5-doc
fonts-mathjax-extras fonts-stix libjs-mathjax-doc libstdc++-5-doc less
www-browser libmail-box-perl python-doc python-tk texlive-latex-recommended
texlive-latex-base texlive-lang-french fonts-linuxlibertine
ttf-linux-libertine python-jinja2-doc gfortran python-nose python-numpy-dbg
python-numpy-doc ttf-bitstream-vera python-setuptools-doc dvipng
texlive-latex-extra texlive-fonts-recommended python2.7-doc binfmt-support
python3-doc python3-tk python3-venv python3.4-venv python3.4-doc
sgml-base-doc
Recommended packages:
python-dev curl wget lynx-cur ca-certificates libglib2.0-data
shared-mime-info xdg-user-dirs javascript-common krb5-locales
libsasl2-modules libmail-sendmail-perl python-pil libpaper-utils
docutils-doc python-chardet sphinx-doc
The following NEW packages will be installed:
bsdmainutils cmake cmake-data cython debhelper dh-python docutils-common
file fonts-font-awesome fonts-lato fonts-mathjax gettext gettext-base
groff-base hdf5-helpers intltool-debian libarchive13 libatlas-base-dev
libatlas-dev libatlas3-base libblas-common libblas-dev libblas3 libcroco3
libcurl3 libexpat1 libexpat1-dev libffi6 libgfortran3 libglib2.0-0
libgnutls-deb0-28 libgsl0-dev libgsl0ldbl libgssapi-krb5-2 libhdf5-8
libhdf5-cpp-8 libhdf5-dev libhogweed4 libidn11 libjpeg-dev libjpeg62-turbo
libjpeg62-turbo-dev libjs-jquery libjs-mathjax libjs-modernizr
libjs-sphinxdoc libjs-underscore libjsoncpp0v5 libk5crypto3 libkeyutils1
libkrb5-3 libkrb5support0 libldap-2.4-2 liblzo2-2 libmagic1 libmpdec2
libnettle6 libp11-kit0 libpipeline1 libpython-dev libpython-stdlib
libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib
libpython3-stdlib libpython3.4-minimal libpython3.4-stdlib librtmp1
libsasl2-2 libsasl2-modules-db libsqlite3-0 libssh2-1 libssl1.0.0 libtasn1-6
libunistring0 libxml2 man-db mime-support po-debconf python python-alabaster
python-all python-babel python-babel-localedata python-docutils
python-jinja2 python-markupsafe python-minimal python-numpy
python-pkg-resources python-pygments python-roman python-setuptools
python-six python-sphinx python-sphinx-rtd-theme python-tz python2.7
python2.7-minimal python3 python3-minimal python3.4 python3.4-minimal
sbuild-build-depends-chemps2-dummy sgml-base sphinx-common
sphinx-rtd-theme-common xml-core zlib1g-dev
The following packages will be upgraded:
cpp-5 g++-5 gcc-5 gcc-5-base libasan2 libatomic1 libcc1-0 libgcc-5-dev
libgcc1 libgomp1 libstdc++-5-dev libstdc++6 libubsan0
13 upgraded, 110 newly installed, 0 to remove and 8 not upgraded.
Need to get 163 MB/163 MB of archives.
After this operation, 292 MB of additional disk space will be used.
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Get:5 http://172.17.0.1/private/ stretch-staging/main cpp-5 armhf 5.2.1-17+rpi1 [23.1 MB]
Get:6 http://172.17.0.1/private/ stretch-staging/main libcc1-0 armhf 5.2.1-17+rpi1 [24.8 kB]
Get:7 http://172.17.0.1/private/ stretch-staging/main g++-5 armhf 5.2.1-17+rpi1 [32.2 MB]
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Get:15 http://172.17.0.1/private/ stretch-staging/main bsdmainutils armhf 9.0.6 [177 kB]
Get:16 http://172.17.0.1/private/ stretch-staging/main libpipeline1 armhf 1.4.1-1 [23.9 kB]
Get:17 http://172.17.0.1/private/ stretch-staging/main man-db armhf 2.7.3-1 [975 kB]
Get:18 http://172.17.0.1/private/ stretch-staging/main libsasl2-modules-db armhf 2.1.26.dfsg1-13 [65.5 kB]
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Get:20 http://172.17.0.1/private/ stretch-staging/main libtasn1-6 armhf 4.5-2 [43.9 kB]
Get:21 http://172.17.0.1/private/ stretch-staging/main libxml2 armhf 2.9.1+dfsg1-5 [703 kB]
Get:22 http://172.17.0.1/private/ stretch-staging/main libpython2.7-minimal armhf 2.7.10-4 [379 kB]
Get:23 http://172.17.0.1/private/ stretch-staging/main python2.7-minimal armhf 2.7.10-4 [1092 kB]
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Get:28 http://172.17.0.1/private/ stretch-staging/main libsqlite3-0 armhf 3.8.11.1-1 [391 kB]
Get:29 http://172.17.0.1/private/ stretch-staging/main libssl1.0.0 armhf 1.0.2d-1 [882 kB]
Get:30 http://172.17.0.1/private/ stretch-staging/main libpython2.7-stdlib armhf 2.7.10-4 [1736 kB]
Get:31 http://172.17.0.1/private/ stretch-staging/main python2.7 armhf 2.7.10-4 [258 kB]
Get:32 http://172.17.0.1/private/ stretch-staging/main libpython-stdlib armhf 2.7.9-1 [19.6 kB]
Get:33 http://172.17.0.1/private/ stretch-staging/main python armhf 2.7.9-1 [151 kB]
Get:34 http://172.17.0.1/private/ stretch-staging/main cmake-data all 3.2.2-2 [1046 kB]
Get:35 http://172.17.0.1/private/ stretch-staging/main liblzo2-2 armhf 2.08-1.2 [47.6 kB]
Get:36 http://172.17.0.1/private/ stretch-staging/main libnettle6 armhf 3.1.1-4 [200 kB]
Get:37 http://172.17.0.1/private/ stretch-staging/main libarchive13 armhf 3.1.2-11+b1 [230 kB]
Get:38 http://172.17.0.1/private/ stretch-staging/main libkeyutils1 armhf 1.5.9-7 [11.5 kB]
Get:39 http://172.17.0.1/private/ stretch-staging/main libkrb5support0 armhf 1.13.2+dfsg-2 [55.9 kB]
Get:40 http://172.17.0.1/private/ stretch-staging/main libk5crypto3 armhf 1.13.2+dfsg-2 [109 kB]
Get:41 http://172.17.0.1/private/ stretch-staging/main libkrb5-3 armhf 1.13.2+dfsg-2 [260 kB]
Get:42 http://172.17.0.1/private/ stretch-staging/main libgssapi-krb5-2 armhf 1.13.2+dfsg-2 [130 kB]
Get:43 http://172.17.0.1/private/ stretch-staging/main libidn11 armhf 1.32-1 [168 kB]
Get:44 http://172.17.0.1/private/ stretch-staging/main libhogweed4 armhf 3.1.1-4 [126 kB]
Get:45 http://172.17.0.1/private/ stretch-staging/main libp11-kit0 armhf 0.23.1-3 [94.2 kB]
Get:46 http://172.17.0.1/private/ stretch-staging/main libgnutls-deb0-28 armhf 3.3.17-1 [646 kB]
Get:47 http://172.17.0.1/private/ stretch-staging/main libldap-2.4-2 armhf 2.4.42+dfsg-2+rpi1 [197 kB]
Get:48 http://172.17.0.1/private/ stretch-staging/main librtmp1 armhf 2.4+20150115.gita107cef-1+b1 [54.5 kB]
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Get:51 http://172.17.0.1/private/ stretch-staging/main libjsoncpp0v5 armhf 0.10.5-1 [66.2 kB]
Get:52 http://172.17.0.1/private/ stretch-staging/main cmake armhf 3.2.2-2+b1 [2094 kB]
Get:53 http://172.17.0.1/private/ stretch-staging/main fonts-lato all 2.0-1 [2684 kB]
Get:54 http://172.17.0.1/private/ stretch-staging/main libglib2.0-0 armhf 2.44.1-1.1 [2312 kB]
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Get:58 http://172.17.0.1/private/ stretch-staging/main libpython3.4-minimal armhf 3.4.3-8 [491 kB]
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Get:72 http://172.17.0.1/private/ stretch-staging/main cython armhf 0.22.1-2 [1435 kB]
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Get:101 http://172.17.0.1/private/ stretch-staging/main libpython2.7-dev armhf 2.7.10-4 [27.2 MB]
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Get:113 http://172.17.0.1/private/ stretch-staging/main python-numpy armhf 1:1.8.2-2 [1498 kB]
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Get:117 http://172.17.0.1/private/ stretch-staging/main libjs-modernizr all 2.6.2+ds1-1 [71.3 kB]
Get:118 http://172.17.0.1/private/ stretch-staging/main sphinx-rtd-theme-common all 0.1.8-2 [109 kB]
Get:119 http://172.17.0.1/private/ stretch-staging/main python-sphinx-rtd-theme all 0.1.8-2 [14.0 kB]
Get:120 http://172.17.0.1/private/ stretch-staging/main sphinx-common all 1.3.1-6 [320 kB]
Get:121 http://172.17.0.1/private/ stretch-staging/main python-sphinx all 1.3.1-6 [352 kB]
Get:122 http://172.17.0.1/private/ stretch-staging/main libjs-mathjax all 2.5.3-1 [5390 kB]
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┌──────────────────────────────────────────────────────────────────────────────┐
│ Build environment │
└──────────────────────────────────────────────────────────────────────────────┘
Kernel: Linux 3.19.0-trunk-armmp armhf (armv7l)
Toolchain package versions: binutils_2.25.1-1 dpkg-dev_1.18.2 g++-4.9_4.9.3-4 g++-5_5.2.1-17+rpi1 gcc-4.9_4.9.3-4 gcc-5_5.2.1-17+rpi1 libc6-dev_2.19-19 libstdc++-4.9-dev_4.9.3-4 libstdc++-5-dev_5.2.1-17+rpi1 libstdc++6_5.2.1-17+rpi1 linux-libc-dev_3.16.7-ckt4-1+rpi1+b2
Package versions: acl_2.2.52-2 adduser_3.113+nmu3 apt_1.0.10.2 base-files_9.4+rpi1 base-passwd_3.5.38 bash_4.3-14 binutils_2.25.1-1 bsdmainutils_9.0.6 bsdutils_1:2.26.2-9 build-essential_11.7 bzip2_1.0.6-8 cmake_3.2.2-2+b1 cmake-data_3.2.2-2 coreutils_8.23-4 cpio_2.11+dfsg-4.1 cpp_4:5.2.1-4+rpi2 cpp-4.9_4.9.3-4 cpp-5_5.2.1-17+rpi1 cython_0.22.1-2 dash_0.5.7-4 debconf_1.5.57 debfoster_2.7-2 debhelper_9.20150811 debianutils_4.5.1 dh-python_2.20150826 diffutils_1:3.3-1 dmsetup_2:1.02.104-1 docutils-common_0.12+dfsg-1 dpkg_1.18.2 dpkg-dev_1.18.2 e2fslibs_1.42.13-1 e2fsprogs_1.42.13-1 fakeroot_1.20.2-1 file_1:5.24-2 findutils_4.4.2-9 fonts-font-awesome_4.3.0~dfsg-2 fonts-lato_2.0-1 fonts-mathjax_2.5.3-1 g++_4:5.2.1-4+rpi2 g++-4.9_4.9.3-4 g++-5_5.2.1-17+rpi1 gcc_4:5.2.1-4+rpi2 gcc-4.6-base_4.6.4-5+rpi1 gcc-4.7-base_4.7.3-11+rpi1 gcc-4.8-base_4.8.4-4 gcc-4.9_4.9.3-4 gcc-4.9-base_4.9.3-4 gcc-5_5.2.1-17+rpi1 gcc-5-base_5.2.1-17+rpi1 gettext_0.19.6-1 gettext-base_0.19.6-1 gnupg_1.4.19-5 gpgv_1.4.19-5 grep_2.21-2 groff-base_1.22.3-1 gzip_1.6-4 hdf5-helpers_1.8.13+docs-15.1 hostname_3.16 init_1.23 init-system-helpers_1.23 initramfs-tools_0.120 initscripts_2.88dsf-59.2 insserv_1.14.0-5 intltool-debian_0.35.0+20060710.4 klibc-utils_2.0.4-2+rpi1 kmod_21-1 libacl1_2.2.52-2 libapparmor1_2.9.2-3 libapt-pkg4.12_1.0.9.10 libapt-pkg4.16_1.0.10.2 libarchive13_3.1.2-11+b1 libasan1_4.9.3-4 libasan2_5.2.1-17+rpi1 libatlas-base-dev_3.10.2-7+rpi1 libatlas-dev_3.10.2-7+rpi1 libatlas3-base_3.10.2-7+rpi1 libatomic1_5.2.1-17+rpi1 libattr1_1:2.4.47-2 libaudit-common_1:2.4.4-1 libaudit1_1:2.4.4-1 libblas-common_1.2.20110419-10 libblas-dev_1.2.20110419-10 libblas3_1.2.20110419-10 libblkid1_2.26.2-9 libbz2-1.0_1.0.6-8 libc-bin_2.19-19 libc-dev-bin_2.19-19 libc6_2.19-19 libc6-dev_2.19-19 libcap2_1:2.24-11 libcap2-bin_1:2.24-11 libcc1-0_5.2.1-17+rpi1 libcloog-isl4_0.18.3-1 libcomerr2_1.42.13-1 libcroco3_0.6.8-3 libcryptsetup4_2:1.6.6-5 libcurl3_7.44.0-2 libdb5.3_5.3.28-11 libdbus-1-3_1.8.20-1 libdebconfclient0_0.195 libdevmapper1.02.1_2:1.02.104-1 libdpkg-perl_1.18.2 libdrm2_2.4.64-1 libexpat1_2.1.0-7 libexpat1-dev_2.1.0-7 libfakeroot_1.20.2-1 libfdisk1_2.26.2-9 libffi6_3.2.1-3 libgc1c2_1:7.2d-6.4 libgcc-4.9-dev_4.9.3-4 libgcc-5-dev_5.2.1-17+rpi1 libgcc1_1:5.2.1-17+rpi1 libgcrypt20_1.6.3-2 libgdbm3_1.8.3-13.1 libgfortran3_5.2.1-17+rpi1 libglib2.0-0_2.44.1-1.1 libgmp10_2:6.0.0+dfsg-7+rpi1 libgnutls-deb0-28_3.3.17-1 libgomp1_5.2.1-17+rpi1 libgpg-error0_1.19-2 libgsl0-dev_1.16+dfsg-4 libgsl0ldbl_1.16+dfsg-4 libgssapi-krb5-2_1.13.2+dfsg-2 libhdf5-8_1.8.13+docs-15.1 libhdf5-cpp-8_1.8.13+docs-15.1 libhdf5-dev_1.8.13+docs-15.1 libhogweed4_3.1.1-4 libidn11_1.32-1 libisl13_0.14-2 libjpeg-dev_1:1.4.1-2 libjpeg62-turbo_1:1.4.1-2 libjpeg62-turbo-dev_1:1.4.1-2 libjs-jquery_1.11.3+dfsg-3 libjs-mathjax_2.5.3-1 libjs-modernizr_2.6.2+ds1-1 libjs-sphinxdoc_1.3.1-6 libjs-underscore_1.7.0~dfsg-1 libjsoncpp0v5_0.10.5-1 libk5crypto3_1.13.2+dfsg-2 libkeyutils1_1.5.9-7 libklibc_2.0.4-2+rpi1 libkmod2_21-1 libkrb5-3_1.13.2+dfsg-2 libkrb5support0_1.13.2+dfsg-2 libldap-2.4-2_2.4.42+dfsg-2+rpi1 liblocale-gettext-perl_1.05-9 liblzma5_5.1.1alpha+20120614-2.1 liblzo2-2_2.08-1.2 libmagic1_1:5.24-2 libmount1_2.26.2-9 libmpc3_1.0.3-1 libmpdec2_2.4.1-1 libmpfr4_3.1.3-1 libncurses5_6.0+20150810-1 libncursesw5_6.0+20150810-1 libnettle6_3.1.1-4 libnih-dbus1_1.0.3-4.3 libnih1_1.0.3-4.3 libp11-kit0_0.23.1-3 libpam-modules_1.1.8-3.1 libpam-modules-bin_1.1.8-3.1 libpam-runtime_1.1.8-3.1 libpam0g_1.1.8-3.1 libpcre3_2:8.35-7.1 libpipeline1_1.4.1-1 libpng12-0_1.2.50-2+b2 libprocps3_2:3.3.9-9 libprocps4_2:3.3.10-2 libpython-dev_2.7.9-1 libpython-stdlib_2.7.9-1 libpython2.7_2.7.10-4 libpython2.7-dev_2.7.10-4 libpython2.7-minimal_2.7.10-4 libpython2.7-stdlib_2.7.10-4 libpython3-stdlib_3.4.3-4 libpython3.4-minimal_3.4.3-8 libpython3.4-stdlib_3.4.3-8 libreadline6_6.3-8+b3 librtmp1_2.4+20150115.gita107cef-1+b1 libsasl2-2_2.1.26.dfsg1-13 libsasl2-modules-db_2.1.26.dfsg1-13 libseccomp2_2.2.3-2 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procps_2:3.3.10-2 python_2.7.9-1 python-alabaster_0.7.6-1 python-all_2.7.9-1 python-babel_1.3+dfsg.1-5 python-babel-localedata_1.3+dfsg.1-5 python-docutils_0.12+dfsg-1 python-jinja2_2.8-1 python-markupsafe_0.23-2 python-minimal_2.7.9-1 python-numpy_1:1.8.2-2 python-pkg-resources_18.3.1-2 python-pygments_2.0.1+dfsg-1.1 python-roman_2.0.0-1 python-setuptools_18.3.1-2 python-six_1.9.0-5 python-sphinx_1.3.1-6 python-sphinx-rtd-theme_0.1.8-2 python-tz_2012c+dfsg-0.1 python2.7_2.7.10-4 python2.7-minimal_2.7.10-4 python3_3.4.3-4 python3-minimal_3.4.3-4 python3.4_3.4.3-8 python3.4-minimal_3.4.3-8 raspbian-archive-keyring_20120528.2 readline-common_6.3-8 sbuild-build-depends-chemps2-dummy_0.invalid.0 sbuild-build-depends-core-dummy_0.invalid.0 sed_4.2.2-6.1 sensible-utils_0.0.9 sgml-base_1.26+nmu4 sphinx-common_1.3.1-6 sphinx-rtd-theme-common_0.1.8-2 startpar_0.59-3 systemd_225-1 systemd-sysv_225-1 sysv-rc_2.88dsf-59.2 sysvinit-utils_2.88dsf-59.2 tar_1.28-1 tzdata_2015f-1 udev_225-1 util-linux_2.26.2-9 xml-core_0.13+nmu2 xz-utils_5.1.1alpha+20120614-2.1 zlib1g_1:1.2.8.dfsg-2+b1 zlib1g-dev_1:1.2.8.dfsg-2+b1
┌──────────────────────────────────────────────────────────────────────────────┐
│ Build │
└──────────────────────────────────────────────────────────────────────────────┘
Unpack source
─────────────
gpgv: keyblock resource `/sbuild-nonexistent/.gnupg/trustedkeys.gpg': file open error
gpgv: Signature made Thu Sep 3 15:35:03 2015 UTC using RSA key ID 669CE1C2
gpgv: Can't check signature: public key not found
dpkg-source: warning: failed to verify signature on ./chemps2_1.6-1.dsc
dpkg-source: info: extracting chemps2 in chemps2-1.6
dpkg-source: info: unpacking chemps2_1.6.orig.tar.gz
dpkg-source: info: unpacking chemps2_1.6-1.debian.tar.xz
Check disc space
────────────────
Sufficient free space for build
User Environment
────────────────
DEB_BUILD_OPTIONS=parallel=4
HOME=/sbuild-nonexistent
LOGNAME=root
PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games
SCHROOT_ALIAS_NAME=stretch-staging-armhf-sbuild
SCHROOT_CHROOT_NAME=stretch-staging-armhf-sbuild
SCHROOT_COMMAND=env
SCHROOT_GID=109
SCHROOT_GROUP=buildd
SCHROOT_SESSION_ID=stretch-staging-armhf-sbuild-92cc0c49-0961-44c5-b760-fd8a8d9fe0de
SCHROOT_UID=104
SCHROOT_USER=buildd
SHELL=/bin/sh
TERM=xterm
USER=buildd
dpkg-buildpackage
─────────────────
dpkg-buildpackage: source package chemps2
dpkg-buildpackage: source version 1.6-1
dpkg-buildpackage: source distribution unstable
dpkg-source --before-build chemps2-1.6
dpkg-buildpackage: host architecture armhf
fakeroot debian/rules clean
dh clean --with python2
dh_testdir
dh_auto_clean
debian/rules override_dh_clean
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_clean
rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc
make[1]: Leaving directory '/«PKGBUILDDIR»'
debian/rules build-arch
dh build-arch --with python2
dh_testdir -a
debian/rules override_dh_auto_configure
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/arm-linux-gnueabihf \
-DENABLE_XHOST=OFF \
-DBUILD_SPHINX=ON \
-DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial
cmake .. -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_LIBDIR=lib/arm-linux-gnueabihf -DENABLE_XHOST=OFF -DBUILD_SPHINX=ON -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial
-- The C compiler identification is GNU 5.2.1
-- The CXX compiler identification is GNU 5.2.1
-- 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
-- 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 dgemm_
-- Looking for dgemm_ - found
-- Looking for include file pthread.h
-- Looking for include file pthread.h - found
-- Looking for pthread_create
-- Looking for pthread_create - found
-- Found Threads: TRUE
-- A library with BLAS API found.
-- Looking for cheev_
-- Looking for cheev_ - found
-- A library with LAPACK API found.
-- Found HDF5: /usr/lib/arm-linux-gnueabihf/hdf5/serial/lib/libhdf5.so;/usr/lib/arm-linux-gnueabihf/libpthread.so;/usr/lib/arm-linux-gnueabihf/libz.so;/usr/lib/arm-linux-gnueabihf/libdl.so;/usr/lib/arm-linux-gnueabihf/libm.so
GSL_DEFINITIONS=
GSL_INCLUDE_DIRS=/usr/include
GSL_CFLAGS=-I/usr/include
-- Using GSL from
-- FindGSL: Found both GSL headers and library
-- Found Sphinx: /usr/bin/sphinx-build
-- Configuring done
-- Generating done
-- Build files have been written to: /«PKGBUILDDIR»/obj-arm-linux-gnueabihf
make[1]: Leaving directory '/«PKGBUILDDIR»'
debian/rules override_dh_auto_build
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_auto_build
make -j1
make[2]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[3]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-base
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o
[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o
[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o
[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o
[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o
[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o
[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o
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[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o
[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o
[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o
[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o
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[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o
[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o
[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o
[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o
[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o
[ 30%] 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
[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o
[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o
[ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o
[ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o
[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o
[ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o
[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o
[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o
[ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o
[ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o
[ 49%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o
[ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorA.cpp.o
[ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorB.cpp.o
[ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorC.cpp.o
[ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorD.cpp.o
[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorDiag.cpp.o
[ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0Cbase.cpp.o
[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o
[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o
[ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1Dbase.cpp.o
[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o
[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorK.cpp.o
[ 66%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o
[ 67%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorM.cpp.o
[ 69%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o
[ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o
[ 71%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0Abase.cpp.o
[ 73%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o
[ 74%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1Bbase.cpp.o
[ 76%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o
[ 77%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorSwap.cpp.o
[ 78%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o
[ 80%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o
[ 81%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o
[ 83%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDMstorage.cpp.o
[ 84%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 84%] Built target chemps2-base
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-shared
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Linking CXX shared library libchemps2.so
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 84%] Built target chemps2-shared
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-static
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Linking CXX static library libchemps2.a
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCF.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/Correlations.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/Davidson.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DIIS.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRG.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFVmatRotations.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object
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make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 84%] Built target chemps2-static
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
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# 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-arm-linux-gnueabihf/sphinx/ \
-D html_theme=default \
-D mathjax_path="/usr/share/javascript/mathjax/MathJax.js" sphinx/ build-sphinx/html
Running Sphinx v1.3.1
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 11 source files that are out of date
updating environment: 11 added, 0 changed, 0 removed
reading sources... [ 9%] dmrgscf
reading sources... [ 18%] dmrgscfcalcs
reading sources... [ 27%] index
reading sources... [ 36%] inoutput
reading sources... [ 45%] interfaces
reading sources... [ 54%] matrixelements
reading sources... [ 63%] method
reading sources... [ 72%] publications
reading sources... [ 81%] resources
reading sources... [ 90%] sourcecode
reading sources... [100%] symmetry
looking for now-outdated files... none found
pickling environment... done
checking consistency... done
preparing documents... done
writing output... [ 9%] dmrgscf
writing output... [ 18%] dmrgscfcalcs
writing output... [ 27%] index
writing output... [ 36%] inoutput
writing output... [ 45%] interfaces
writing output... [ 54%] matrixelements
writing output... [ 63%] method
writing output... [ 72%] publications
writing output... [ 81%] resources
writing output... [ 90%] sourcecode
writing output... [100%] symmetry
generating indices... genindex
writing additional pages... search
copying images... [ 33%] ComparisonN2.png
copying images... [ 66%] Comparison.png
copying images... [100%] ExtrapolationN2reorder.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-arm-linux-gnueabihf/CheMPS2
running build_ext
cythoning PyCheMPS2.pyx to PyCheMPS2.cpp
building 'PyCheMPS2' extension
creating build
creating build/temp.linux-armv7l-2.7
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fstack-protector-strong -Wformat -Werror=format-security -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-armv7l-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:1761:0,
from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarrayobject.h:17,
from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/arrayobject.h:4,
from PyCheMPS2.cpp:257:
/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 " \
^
In file included from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ufuncobject.h:327:0,
from PyCheMPS2.cpp:258:
/usr/lib/python2.7/dist-packages/numpy/core/include/numpy/__ufunc_api.h:241:1: warning: 'int _import_umath()' defined but not used [-Wunused-function]
_import_umath(void)
^
creating build/lib.linux-armv7l-2.7
c++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -D_FORTIFY_SOURCE=2 -g -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -g -O2 -fstack-protector-strong -Wformat -Werror=format-security -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-2.7/PyCheMPS2.o -L../obj-arm-linux-gnueabihf/CheMPS2 -lchemps2 -o build/lib.linux-armv7l-2.7/PyCheMPS2.so
make[1]: Leaving directory '/«PKGBUILDDIR»'
debian/rules override_dh_auto_test
make[1]: Entering directory '/«PKGBUILDDIR»'
cd obj-arm-linux-gnueabihf/ && ctest -R "^test3|^test5|^test8"
Test project /«PKGBUILDDIR»/obj-arm-linux-gnueabihf
Start 3: test3
1/3 Test #3: test3 ............................ Passed 11.95 sec
Start 5: test5
2/3 Test #5: test5 ............................ Passed 20.09 sec
Start 8: test8
3/3 Test #8: test8 ............................ Passed 11.31 sec
100% tests passed, 0 tests failed out of 3
Total Test time (real) = 43.37 sec
cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-armv7l-2.7:.. \
LD_LIBRARY_PATH=../../obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial \
python2 test1.py
FCI::Startup : Number of variables in the FCI vector = 1824
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.466944 MB memory.
FCI::HamTimesVec : Wall time = 0.059959 seconds
FCI::HamTimesVec : Wall time = 0.058833 seconds
FCI::HamTimesVec : Wall time = 0.05887 seconds
FCI::HamTimesVec : Wall time = 0.058734 seconds
FCI::HamTimesVec : Wall time = 0.058851 seconds
FCI::HamTimesVec : Wall time = 0.058724 seconds
FCI::HamTimesVec : Wall time = 0.058861 seconds
FCI::HamTimesVec : Wall time = 0.058861 seconds
FCI::HamTimesVec : Wall time = 0.058828 seconds
FCI::HamTimesVec : Wall time = 0.058885 seconds
FCI::HamTimesVec : Wall time = 0.0590470000000001 seconds
FCI::HamTimesVec : Wall time = 0.058893 seconds
FCI::HamTimesVec : Wall time = 0.10544 seconds
FCI::HamTimesVec : Wall time = 0.144914 seconds
FCI::HamTimesVec : Wall time = 0.128039 seconds
FCI::HamTimesVec : Wall time = 0.059037 seconds
FCI::GSDavidson : Converged ground state energy = -107.648250974013
FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -3.99089264682962e-19 and intended S(S+1) = 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 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) = 8
Energy at sites (8, 9) is -103.580788734544
Stats: nIt(DAVIDSON) = 13
Energy at sites (7, 8) is -106.852690068887
Stats: nIt(DAVIDSON) = 64
Energy at sites (6, 7) is -106.893588314895
Stats: nIt(DAVIDSON) = 60
Energy at sites (5, 6) is -106.905978144904
Stats: nIt(DAVIDSON) = 40
Energy at sites (4, 5) is -107.630276485629
Stats: nIt(DAVIDSON) = 24
Energy at sites (3, 4) is -107.647997618417
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.647997618417
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.647997618417
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 6.775374 seconds
*** |--> S.join = 0.004184 seconds
*** |--> S.solve = 6.432101 seconds
*** |--> S.split = 0.012282 seconds
*** |--> Tensor update = 0.323036 seconds
*** |--> create = 0.091356 seconds
*** |--> destroy = 0.004749 seconds
*** |--> disk write = 0.079618 seconds
*** |--> disk read = 0.057216 seconds
*** |--> calc = 0.0898740000000001 seconds
*** Disk write bandwidth = 7.35964716751983 MB/s
*** Disk read bandwidth = 10.2758674280222 MB/s
*** Minimum energy = -107.647997618417
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.647997618417
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.647997618417
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.647997618417
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.647997618417
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.64802261507
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250494789
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250494789
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250494789
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.057615 seconds
*** |--> S.join = 0.007546 seconds
*** |--> S.solve = 0.7173 seconds
*** |--> S.split = 0.011554 seconds
*** |--> Tensor update = 0.316516 seconds
*** |--> create = 0.102882 seconds
*** |--> destroy = 0.004894 seconds
*** |--> disk write = 0.081918 seconds
*** |--> disk read = 0.065364 seconds
*** |--> calc = 0.061228 seconds
*** Disk write bandwidth = 7.17722638201273 MB/s
*** Disk read bandwidth = 8.96457359071651 MB/s
*** Minimum energy = -107.648250494789
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.648250494789
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.648250494789
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250494789
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250494789
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250494789
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.648250861959
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.648250972341
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972341
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972341
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.704089 seconds
*** |--> S.join = 0.004766 seconds
*** |--> S.solve = 0.391194 seconds
*** |--> S.split = 0.011305 seconds
*** |--> Tensor update = 0.294209 seconds
*** |--> create = 0.09153 seconds
*** |--> destroy = 0.004968 seconds
*** |--> disk write = 0.0793 seconds
*** |--> disk read = 0.057459 seconds
*** |--> calc = 0.060716 seconds
*** Disk write bandwidth = 7.38916000231518 MB/s
*** Disk read bandwidth = 10.2324097314906 MB/s
*** Minimum energy = -107.648250972341
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250972341
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972341
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972341
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250972342
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.648250972425
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.648250974002
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974001
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.622978 seconds
*** |--> S.join = 0.016708 seconds
*** |--> S.solve = 0.286137 seconds
*** |--> S.split = 0.014215 seconds
*** |--> Tensor update = 0.305321 seconds
*** |--> create = 0.093486 seconds
*** |--> destroy = 0.005456 seconds
*** |--> disk write = 0.082509 seconds
*** |--> disk read = 0.056996 seconds
*** |--> calc = 0.066631 seconds
*** Disk write bandwidth = 7.12581695041412 MB/s
*** Disk read bandwidth = 10.2807282648536 MB/s
*** Minimum energy = -107.648250974002
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.79212246773386e-07
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.648250974002
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250974002
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974001
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.480735 seconds
*** |--> S.join = 0.008672 seconds
*** |--> S.solve = 0.156972 seconds
*** |--> S.split = 0.011751 seconds
*** |--> Tensor update = 0.302742 seconds
*** |--> create = 0.092353 seconds
*** |--> destroy = 0.005994 seconds
*** |--> disk write = 0.086774 seconds
*** |--> disk read = 0.0574210000000001 seconds
*** |--> calc = 0.059964 seconds
*** Disk write bandwidth = 6.75271842007507 MB/s
*** Disk read bandwidth = 10.2391813232392 MB/s
*** Minimum energy = -107.648250974002
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250974002
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.648250974002
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250974002
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974001
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974001
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.553517 seconds
*** |--> S.join = 0.007763 seconds
*** |--> S.solve = 0.188514 seconds
*** |--> S.split = 0.019719 seconds
*** |--> Tensor update = 0.335764 seconds
*** |--> create = 0.098471 seconds
*** |--> destroy = 0.006192 seconds
*** |--> disk write = 0.0981400000000001 seconds
*** |--> disk read = 0.061212 seconds
*** |--> calc = 0.071486 seconds
*** Disk write bandwidth = 5.99087049889666 MB/s
*** Disk read bandwidth = 9.57263915872041 MB/s
*** Minimum energy = -107.648250974002
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.55795384873636e-13
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.648250974002
*** Minimum energy encountered during the last sweep = -107.648250974002
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.648250974001 and as Econst + 0.5*trace(2DM-A*Ham) = -107.648250974001
NOON of irrep Ag = [ 1.99999530440412 , 1.99487992576123 , 1.98267953776444 ].
NOON of irrep B2g = [ 0.0748715853188984 ].
NOON of irrep B3g = [ 0.0748714969769808 ].
NOON of irrep B1u = [ 1.99999681838788 , 1.98658239466896 , 0.0188079091318657 ].
NOON of irrep B2u = [ 1.93365752831873 ].
NOON of irrep B3u = [ 1.93365749926688 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009560977575 , 0.0515865938200675 , 0.0764971276086271 , 0.25771674695284 , 0.257716602577952 , 8.4715636752981e-05 , 0.0462801206497609 , 0.10073602743476 , 0.241505749914232 , 0.241505788329495 ].
Idistance(0) = 1.30939279334875
Idistance(1) = 5.42402453605146
Idistance(2) = 26.7355168367199
**************************************
RMS difference FCI and DMRG determinant coefficients = 2.00172280839e-06
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 1160
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.29696 MB memory.
FCI::HamTimesVec : Wall time = 0.040755 seconds
FCI::HamTimesVec : Wall time = 0.040258 seconds
FCI::HamTimesVec : Wall time = 0.040257 seconds
FCI::HamTimesVec : Wall time = 0.040258 seconds
FCI::HamTimesVec : Wall time = 0.040266 seconds
FCI::HamTimesVec : Wall time = 0.040281 seconds
FCI::HamTimesVec : Wall time = 0.040205 seconds
FCI::HamTimesVec : Wall time = 0.0405040000000001 seconds
FCI::HamTimesVec : Wall time = 0.040359 seconds
FCI::HamTimesVec : Wall time = 0.040319 seconds
FCI::HamTimesVec : Wall time = 0.040332 seconds
FCI::HamTimesVec : Wall time = 0.040361 seconds
FCI::HamTimesVec : Wall time = 0.040347 seconds
FCI::HamTimesVec : Wall time = 0.046312 seconds
FCI::HamTimesVec : Wall time = 0.13022 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
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 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 -103.990908223596
Stats: nIt(DAVIDSON) = 45
Energy at sites (7, 8) is -106.324617115508
Stats: nIt(DAVIDSON) = 38
Energy at sites (6, 7) is -106.721288108059
Stats: nIt(DAVIDSON) = 56
Energy at sites (5, 6) is -107.318062785276
Stats: nIt(DAVIDSON) = 47
Energy at sites (4, 5) is -107.325644010185
Stats: nIt(DAVIDSON) = 21
Energy at sites (3, 4) is -107.328763395739
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.328765168824
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328765168824
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 10.033708 seconds
*** |--> S.join = 0.006426 seconds
*** |--> S.solve = 9.656088 seconds
*** |--> S.split = 0.013526 seconds
*** |--> Tensor update = 0.35395 seconds
*** |--> create = 0.104285 seconds
*** |--> destroy = 0.005048 seconds
*** |--> disk write = 0.082542 seconds
*** |--> disk read = 0.059562 seconds
*** |--> calc = 0.102294 seconds
*** Disk write bandwidth = 10.2351014590016 MB/s
*** Disk read bandwidth = 14.1231285421336 MB/s
*** Minimum energy = -107.328765168824
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328765168824
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328765168824
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328765168824
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.328765171087
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.32876718177
Stats: nIt(DAVIDSON) = 7
Energy at sites (5, 6) is -107.328768892898
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768892898
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768892898
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.343684 seconds
*** |--> S.join = 0.009663 seconds
*** |--> S.solve = 0.964275 seconds
*** |--> S.split = 0.015137 seconds
*** |--> Tensor update = 0.350888 seconds
*** |--> create = 0.10787 seconds
*** |--> destroy = 0.004998 seconds
*** |--> disk write = 0.082477 seconds
*** |--> disk read = 0.058862 seconds
*** |--> calc = 0.096421 seconds
*** Disk write bandwidth = 10.1992286604334 MB/s
*** Disk read bandwidth = 14.3526510249211 MB/s
*** Minimum energy = -107.328768892898
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.328768892898
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.328768892898
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768892898
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768892898
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768892898
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.328768893375
Stats: nIt(DAVIDSON) = 3
Energy at sites (3, 4) is -107.328768897985
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.328768897999
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897999
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.780539 seconds
*** |--> S.join = 0.007081 seconds
*** |--> S.solve = 0.394992 seconds
*** |--> S.split = 0.01376 seconds
*** |--> Tensor update = 0.361052 seconds
*** |--> create = 0.104567 seconds
*** |--> destroy = 0.004963 seconds
*** |--> disk write = 0.082013 seconds
*** |--> disk read = 0.059208 seconds
*** |--> calc = 0.110063 seconds
*** Disk write bandwidth = 10.3011198789083 MB/s
*** Disk read bandwidth = 14.207569622797 MB/s
*** Minimum energy = -107.328768897999
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768897999
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897999
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897999
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768897999
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898021
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.699078 seconds
*** |--> S.join = 0.008465 seconds
*** |--> S.solve = 0.296517 seconds
*** |--> S.split = 0.016578 seconds
*** |--> Tensor update = 0.37384 seconds
*** |--> create = 0.107585 seconds
*** |--> destroy = 0.005091 seconds
*** |--> disk write = 0.0823670000000001 seconds
*** |--> disk read = 0.058845 seconds
*** |--> calc = 0.119713 seconds
*** Disk write bandwidth = 10.212849590571 MB/s
*** Disk read bandwidth = 14.3567974276303 MB/s
*** Minimum energy = -107.328768898021
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.12278575115488e-09
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898021
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.612759 seconds
*** |--> S.join = 0.006506 seconds
*** |--> S.solve = 0.242195 seconds
*** |--> S.split = 0.015906 seconds
*** |--> Tensor update = 0.344463 seconds
*** |--> create = 0.10469 seconds
*** |--> destroy = 0.005022 seconds
*** |--> disk write = 0.082315 seconds
*** |--> disk read = 0.059045 seconds
*** |--> calc = 0.093158 seconds
*** Disk write bandwidth = 10.2633267889073 MB/s
*** Disk read bandwidth = 14.2467911292499 MB/s
*** Minimum energy = -107.328768898021
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898021
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898021
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.628637 seconds
*** |--> S.join = 0.00654 seconds
*** |--> S.solve = 0.256061 seconds
*** |--> S.split = 0.013514 seconds
*** |--> Tensor update = 0.348809 seconds
*** |--> create = 0.107944 seconds
*** |--> destroy = 0.005148 seconds
*** |--> disk write = 0.082902 seconds
*** |--> disk read = 0.059103 seconds
*** |--> calc = 0.093442 seconds
*** Disk write bandwidth = 10.1469419582949 MB/s
*** Disk read bandwidth = 14.2941262648073 MB/s
*** Minimum energy = -107.328768898021
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 0
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.328768898021
*** Minimum energy encountered during the last sweep = -107.328768898021
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.328768898021 and as Econst + 0.5*trace(2DM-A*Ham) = -107.32876889802
NOON of irrep Ag = [ 1.99999672239608 , 1.99571459775352 , 1.98497374727936 ].
NOON of irrep B2g = [ 0.538992877975456 ].
NOON of irrep B3g = [ 0.538986975612738 ].
NOON of irrep B1u = [ 1.99999702948344 , 1.99149908058801 , 0.0194690781991944 ].
NOON of irrep B2u = [ 1.46518797386931 ].
NOON of irrep B3u = [ 1.46518191684289 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00010586310845486 , 0.0587090165544253 , 0.0554793260812628 , 1.11957817164425 , 1.11957447960489 , 8.52800684435785e-05 , 0.0421712795581183 , 0.105000384102601 , 1.11261813846581 , 1.11262211182701 ].
Idistance(0) = 4.60188057797526
Idistance(1) = 17.7825029712264
Idistance(2) = 85.6947973219627
**************************************
RMS difference FCI and DMRG determinant coefficients = 3.83713950353e-06
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.070656 MB memory.
FCI::HamTimesVec : Wall time = 0.020541 seconds
FCI::HamTimesVec : Wall time = 0.011527 seconds
FCI::HamTimesVec : Wall time = 0.011482 seconds
FCI::HamTimesVec : Wall time = 0.011458 seconds
FCI::HamTimesVec : Wall time = 0.011458 seconds
FCI::HamTimesVec : Wall time = 0.011267 seconds
FCI::HamTimesVec : Wall time = 0.011285 seconds
FCI::HamTimesVec : Wall time = 0.011406 seconds
FCI::HamTimesVec : Wall time = 0.011306 seconds
FCI::HamTimesVec : Wall time = 0.011241 seconds
FCI::HamTimesVec : Wall time = 0.011259 seconds
FCI::GSDavidson : Converged ground state energy = -107.007920599439
FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 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 -98.309867715411
Stats: nIt(DAVIDSON) = 13
Energy at sites (7, 8) is -106.983399636784
Stats: nIt(DAVIDSON) = 20
Energy at sites (6, 7) is -106.994517414596
Stats: nIt(DAVIDSON) = 14
Energy at sites (5, 6) is -106.995437288946
Stats: nIt(DAVIDSON) = 20
Energy at sites (4, 5) is -106.996873142553
Stats: nIt(DAVIDSON) = 17
Energy at sites (3, 4) is -106.999213491931
Stats: nIt(DAVIDSON) = 15
Energy at sites (2, 3) is -107.007875877469
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007875877469
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 2.202848 seconds
*** |--> S.join = 0.003911 seconds
*** |--> S.solve = 1.90992 seconds
*** |--> S.split = 0.013625 seconds
*** |--> Tensor update = 0.271788 seconds
*** |--> create = 0.083488 seconds
*** |--> destroy = 0.004821 seconds
*** |--> disk write = 0.074312 seconds
*** |--> disk read = 0.054488 seconds
*** |--> calc = 0.054461 seconds
*** Disk write bandwidth = 2.62796872398006 MB/s
*** Disk read bandwidth = 3.56420198562929 MB/s
*** Minimum energy = -107.007875877469
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007875877469
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007875877469
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007875877469
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.00787624311
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -107.00787917996
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.007920322853
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -107.007920324988
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920324988
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.940803 seconds
*** |--> S.join = 0.003444 seconds
*** |--> S.solve = 0.649653 seconds
*** |--> S.split = 0.008316 seconds
*** |--> Tensor update = 0.275756 seconds
*** |--> create = 0.084818 seconds
*** |--> destroy = 0.006348 seconds
*** |--> disk write = 0.079762 seconds
*** |--> disk read = 0.054212 seconds
*** |--> calc = 0.050383 seconds
*** Disk write bandwidth = 2.43482156657266 MB/s
*** Disk read bandwidth = 3.6023318050691 MB/s
*** Minimum energy = -107.007920324988
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.007920324988
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007920324988
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920324988
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920324988
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920324988
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.007920347995
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.007920400553
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -107.007920596613
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596613
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.60792 seconds
*** |--> S.join = 0.007327 seconds
*** |--> S.solve = 0.294467 seconds
*** |--> S.split = 0.011515 seconds
*** |--> Tensor update = 0.286721 seconds
*** |--> create = 0.102315 seconds
*** |--> destroy = 0.005116 seconds
*** |--> disk write = 0.074612 seconds
*** |--> disk read = 0.054658 seconds
*** |--> calc = 0.049793 seconds
*** Disk write bandwidth = 2.61740218485507 MB/s
*** Disk read bandwidth = 3.55311642930529 MB/s
*** Minimum energy = -107.007920596613
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920596613
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596613
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920596613
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.007920596722
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.00792059675
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.007920599393
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599393
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599393
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.491777 seconds
*** |--> S.join = 0.007221 seconds
*** |--> S.solve = 0.206491 seconds
*** |--> S.split = 0.007305 seconds
*** |--> Tensor update = 0.267175 seconds
*** |--> create = 0.085188 seconds
*** |--> destroy = 0.005005 seconds
*** |--> disk write = 0.075069 seconds
*** |--> disk read = 0.05442 seconds
*** |--> calc = 0.04727 seconds
*** Disk write bandwidth = 2.58703643039029 MB/s
*** Disk read bandwidth = 3.58856324543194 MB/s
*** Minimum energy = -107.007920599393
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.74405266509348e-07
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007920599393
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599393
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599393
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920599393
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.007920599393
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.007920599393
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.00792059943
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599431
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.432447 seconds
*** |--> S.join = 0.005452 seconds
*** |--> S.solve = 0.134218 seconds
*** |--> S.split = 0.008183 seconds
*** |--> Tensor update = 0.28088 seconds
*** |--> create = 0.0838530000000001 seconds
*** |--> destroy = 0.00562 seconds
*** |--> disk write = 0.075695 seconds
*** |--> disk read = 0.05477 seconds
*** |--> calc = 0.060663 seconds
*** Disk write bandwidth = 2.57995391791276 MB/s
*** Disk read bandwidth = 3.5458506078687 MB/s
*** Minimum energy = -107.007920599431
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920599431
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599431
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.00792059943
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.007920599431
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.00792059943
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920599431
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599431
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.00792059943
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.471596 seconds
*** |--> S.join = 0.007292 seconds
*** |--> S.solve = 0.148437 seconds
*** |--> S.split = 0.021241 seconds
*** |--> Tensor update = 0.291015 seconds
*** |--> create = 0.08513 seconds
*** |--> destroy = 0.005972 seconds
*** |--> disk write = 0.076728 seconds
*** |--> disk read = 0.054335 seconds
*** |--> calc = 0.068613 seconds
*** Disk write bandwidth = 2.53109996080921 MB/s
*** Disk read bandwidth = 3.59417708321351 MB/s
*** Minimum energy = -107.007920599431
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.74882347387029e-11
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.007920599431
*** Minimum energy encountered during the last sweep = -107.007920599431
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.00792059943 and as Econst + 0.5*trace(2DM-A*Ham) = -107.007920599431
NOON of irrep Ag = [ 1.99999761739913 , 1.99817458859351 , 1.99099529451313 ].
NOON of irrep B2g = [ 0.999157304860725 ].
NOON of irrep B3g = [ 0.999157316252239 ].
NOON of irrep B1u = [ 1.9999976339601 , 1.99356773588113 , 0.0151843180765029 ].
NOON of irrep B2u = [ 1.00188409599397 ].
NOON of irrep B3u = [ 1.00188409446958 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85623646263623e-05 , 0.0439795491744732 , 0.0191226722736778 , 0.710073262048304 , 0.710073287258076 , 0.000114194011370737 , 0.050198613493068 , 0.0847678785737511 , 0.70939321267517 , 0.709393191786303 ].
Idistance(0) = 1.96740708258501
Idistance(1) = 7.24683010336354
Idistance(2) = 34.6048743616326
**************************************
RMS difference FCI and DMRG determinant coefficients = 2.13420328377e-06
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.070656 MB memory.
FCI::HamTimesVec : Wall time = 0.105245 seconds
FCI::HamTimesVec : Wall time = 0.011398 seconds
FCI::HamTimesVec : Wall time = 0.011354 seconds
FCI::HamTimesVec : Wall time = 0.011375 seconds
FCI::HamTimesVec : Wall time = 0.011402 seconds
FCI::HamTimesVec : Wall time = 0.011328 seconds
FCI::HamTimesVec : Wall time = 0.011303 seconds
FCI::HamTimesVec : Wall time = 0.011297 seconds
FCI::HamTimesVec : Wall time = 0.01129 seconds
FCI::HamTimesVec : Wall time = 0.011267 seconds
FCI::HamTimesVec : Wall time = 0.011408 seconds
FCI::HamTimesVec : Wall time = 0.011295 seconds
FCI::HamTimesVec : Wall time = 0.011305 seconds
FCI::HamTimesVec : Wall time = 0.011343 seconds
FCI::HamTimesVec : Wall time = 0.011308 seconds
FCI::HamTimesVec : Wall time = 0.011287 seconds
FCI::GSDavidson : Converged ground state energy = -106.19146657595
FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 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 -103.889346710778
Stats: nIt(DAVIDSON) = 25
Energy at sites (7, 8) is -105.885154574659
Stats: nIt(DAVIDSON) = 40
Energy at sites (6, 7) is -105.903791288385
Stats: nIt(DAVIDSON) = 53
Energy at sites (5, 6) is -105.905101300601
Stats: nIt(DAVIDSON) = 41
Energy at sites (4, 5) is -106.124611272305
Stats: nIt(DAVIDSON) = 44
Energy at sites (3, 4) is -106.180305872259
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.180305932551
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.180305932551
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 4.713104 seconds
*** |--> S.join = 0.00491900000000001 seconds
*** |--> S.solve = 4.428012 seconds
*** |--> S.split = 0.007361 seconds
*** |--> Tensor update = 0.2691 seconds
*** |--> create = 0.084136 seconds
*** |--> destroy = 0.005042 seconds
*** |--> disk write = 0.073971 seconds
*** |--> disk read = 0.054953 seconds
*** |--> calc = 0.050761 seconds
*** Disk write bandwidth = 2.72888727349654 MB/s
*** Disk read bandwidth = 3.65357935844039 MB/s
*** Minimum energy = -106.180305932551
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.180305932551
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.180305932551
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.180305932551
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.180305932551
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -106.180530335063
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.191420311475
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.191420312033
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191420312033
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.987273 seconds
*** |--> S.join = 0.004841 seconds
*** |--> S.solve = 0.688976 seconds
*** |--> S.split = 0.014378 seconds
*** |--> Tensor update = 0.275419 seconds
*** |--> create = 0.085971 seconds
*** |--> destroy = 0.005077 seconds
*** |--> disk write = 0.075304 seconds
*** |--> disk read = 0.054636 seconds
*** |--> calc = 0.054188 seconds
*** Disk write bandwidth = 2.66619497615499 MB/s
*** Disk read bandwidth = 3.6946064958601 MB/s
*** Minimum energy = -106.191420312033
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 106.191420312033
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191420312033
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191420312033
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191420312033
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191420312033
Stats: nIt(DAVIDSON) = 11
Energy at sites (4, 5) is -106.191455465547
Stats: nIt(DAVIDSON) = 8
Energy at sites (3, 4) is -106.191465563838
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -106.191465566488
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191465566488
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.746403 seconds
*** |--> S.join = 0.003378 seconds
*** |--> S.solve = 0.459688 seconds
*** |--> S.split = 0.007328 seconds
*** |--> Tensor update = 0.272389 seconds
*** |--> create = 0.084742 seconds
*** |--> destroy = 0.004931 seconds
*** |--> disk write = 0.074137 seconds
*** |--> disk read = 0.054863 seconds
*** |--> calc = 0.053487 seconds
*** Disk write bandwidth = 2.72277702777038 MB/s
*** Disk read bandwidth = 3.65957287214288 MB/s
*** Minimum energy = -106.191465566488
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191465566488
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191465566488
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191465566488
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191465566488
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -106.1914655731
Stats: nIt(DAVIDSON) = 7
Energy at sites (5, 6) is -106.191466504091
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466504091
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466504091
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.631308 seconds
*** |--> S.join = 0.003237 seconds
*** |--> S.solve = 0.349327 seconds
*** |--> S.split = 0.007307 seconds
*** |--> Tensor update = 0.26775 seconds
*** |--> create = 0.085697 seconds
*** |--> destroy = 0.005082 seconds
*** |--> disk write = 0.075291 seconds
*** |--> disk read = 0.054659 seconds
*** |--> calc = 0.046777 seconds
*** Disk write bandwidth = 2.66665533044288 MB/s
*** Disk read bandwidth = 3.69305183973019 MB/s
*** Minimum energy = -106.191466504091
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.61920575958175e-05
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466504091
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466504091
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466504091
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466504091
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -106.191466567479
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -106.191466570556
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466570556
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466570556
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.610182 seconds
*** |--> S.join = 0.010034 seconds
*** |--> S.solve = 0.304547 seconds
*** |--> S.split = 0.00829 seconds
*** |--> Tensor update = 0.281566 seconds
*** |--> create = 0.094766 seconds
*** |--> destroy = 0.005496 seconds
*** |--> disk write = 0.077152 seconds
*** |--> disk read = 0.059107 seconds
*** |--> calc = 0.044819 seconds
*** Disk write bandwidth = 2.6163744362792 MB/s
*** Disk read bandwidth = 3.39680827117558 MB/s
*** Minimum energy = -106.191466570556
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466570556
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466570556
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466570556
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191466570556
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -106.191466570556
Stats: nIt(DAVIDSON) = 4
Energy at sites (5, 6) is -106.191466575482
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575482
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575482
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.484894 seconds
*** |--> S.join = 0.003217 seconds
*** |--> S.solve = 0.202786 seconds
*** |--> S.split = 0.00728 seconds
*** |--> Tensor update = 0.267997 seconds
*** |--> create = 0.086081 seconds
*** |--> destroy = 0.005001 seconds
*** |--> disk write = 0.075232 seconds
*** |--> disk read = 0.054774 seconds
*** |--> calc = 0.046673 seconds
*** Disk write bandwidth = 2.66874663021553 MB/s
*** Disk read bandwidth = 3.68529814342229 MB/s
*** Minimum energy = -106.191466575482
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 7.13910992544697e-08
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575482
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575482
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575482
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466575482
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -106.191466575841
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -106.191466575873
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575873
*** Information on left sweep 3 of instruction 0:
*** Elapsed wall time = 0.483781 seconds
*** |--> S.join = 0.005668 seconds
*** |--> S.solve = 0.194898 seconds
*** |--> S.split = 0.009242 seconds
*** |--> Tensor update = 0.270361 seconds
*** |--> create = 0.084604 seconds
*** |--> destroy = 0.00493 seconds
*** |--> disk write = 0.0739980000000001 seconds
*** |--> disk read = 0.054944 seconds
*** |--> calc = 0.051663 seconds
*** Disk write bandwidth = 2.7278915714994 MB/s
*** Disk read bandwidth = 3.65417782622989 MB/s
*** Minimum energy = -106.191466575873
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575873
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575872
*** Information on right sweep 3 of instruction 0:
*** Elapsed wall time = 0.427625 seconds
*** |--> S.join = 0.005228 seconds
*** |--> S.solve = 0.134966 seconds
*** |--> S.split = 0.011579 seconds
*** |--> Tensor update = 0.272239 seconds
*** |--> create = 0.086124 seconds
*** |--> destroy = 0.005318 seconds
*** |--> disk write = 0.076443 seconds
*** |--> disk read = 0.054702 seconds
*** |--> calc = 0.049417 seconds
*** Disk write bandwidth = 2.62646869542502 MB/s
*** Disk read bandwidth = 3.69014881554262 MB/s
*** Minimum energy = -106.191466575873
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.90599552702042e-10
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575872
*** Information on left sweep 4 of instruction 0:
*** Elapsed wall time = 0.397044 seconds
*** |--> S.join = 0.003464 seconds
*** |--> S.solve = 0.120152 seconds
*** |--> S.split = 0.007327 seconds
*** |--> Tensor update = 0.262408 seconds
*** |--> create = 0.084484 seconds
*** |--> destroy = 0.004988 seconds
*** |--> disk write = 0.073902 seconds
*** |--> disk read = 0.05491 seconds
*** |--> calc = 0.04389 seconds
*** Disk write bandwidth = 2.73143515071057 MB/s
*** Disk read bandwidth = 3.6564404750387 MB/s
*** Minimum energy = -106.191466575872
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466575873
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575872
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575872
*** Information on right sweep 4 of instruction 0:
*** Elapsed wall time = 0.438305 seconds
*** |--> S.join = 0.003382 seconds
*** |--> S.solve = 0.137479 seconds
*** |--> S.split = 0.01365 seconds
*** |--> Tensor update = 0.276014 seconds
*** |--> create = 0.08821 seconds
*** |--> destroy = 0.00506 seconds
*** |--> disk write = 0.075404 seconds
*** |--> disk read = 0.058723 seconds
*** |--> calc = 0.048387 seconds
*** Disk write bandwidth = 2.66265909612719 MB/s
*** Disk read bandwidth = 3.43746948398093 MB/s
*** Minimum energy = -106.191466575873
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -106.191466575873
*** Minimum energy encountered during the last sweep = -106.191466575873
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -106.191466575872 and as Econst + 0.5*trace(2DM-A*Ham) = -106.191466575872
NOON of irrep Ag = [ 1.99999399639668 , 1.9936632158858 , 1.87190026320906 ].
NOON of irrep B2g = [ 0.584811938191637 ].
NOON of irrep B3g = [ 0.584816820684323 ].
NOON of irrep B1u = [ 1.99999783388677 , 1.12096461937435 , 1.00219411069003 ].
NOON of irrep B2u = [ 1.42082685842841 ].
NOON of irrep B3u = [ 1.42083034325296 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17153917316143e-05 , 0.072211195877405 , 0.460792459640543 , 1.13075613628868 , 1.13075934897334 , 6.17503484017695e-05 , 0.977139440745195 , 0.735936565313872 , 1.12042757962907 , 1.12042688291147 ].
Idistance(0) = 5.65234399903158
Idistance(1) = 19.8383028772379
Idistance(2) = 88.8196312292199
**************************************
RMS difference FCI and DMRG determinant coefficients = 1.43924796287e-05
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.302592 MB memory.
FCI::HamTimesVec : Wall time = 0.04147 seconds
FCI::HamTimesVec : Wall time = 0.040719 seconds
FCI::HamTimesVec : Wall time = 0.040641 seconds
FCI::HamTimesVec : Wall time = 0.040987 seconds
FCI::HamTimesVec : Wall time = 0.043458 seconds
FCI::HamTimesVec : Wall time = 0.100599 seconds
FCI::HamTimesVec : Wall time = 0.081544 seconds
FCI::HamTimesVec : Wall time = 0.162036 seconds
FCI::HamTimesVec : Wall time = 0.040762 seconds
FCI::HamTimesVec : Wall time = 0.040822 seconds
FCI::HamTimesVec : Wall time = 0.040753 seconds
FCI::HamTimesVec : Wall time = 0.0408 seconds
FCI::HamTimesVec : Wall time = 0.040763 seconds
FCI::HamTimesVec : Wall time = 0.040918 seconds
FCI::HamTimesVec : Wall time = 0.04083 seconds
FCI::HamTimesVec : Wall time = 0.040813 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
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 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) = 19
Energy at sites (8, 9) is -105.009150588032
Stats: nIt(DAVIDSON) = 29
Energy at sites (7, 8) is -106.576718672614
Stats: nIt(DAVIDSON) = 38
Energy at sites (6, 7) is -106.778130797406
Stats: nIt(DAVIDSON) = 59
Energy at sites (5, 6) is -107.181449653933
Stats: nIt(DAVIDSON) = 28
Energy at sites (4, 5) is -107.345772855279
Stats: nIt(DAVIDSON) = 19
Energy at sites (3, 4) is -107.34589008322
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.34589172008
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34589172008
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 9.540628 seconds
*** |--> S.join = 0.005797 seconds
*** |--> S.solve = 9.165425 seconds
*** |--> S.split = 0.015535 seconds
*** |--> Tensor update = 0.350158 seconds
*** |--> create = 0.106696 seconds
*** |--> destroy = 0.005108 seconds
*** |--> disk write = 0.082806 seconds
*** |--> disk read = 0.059337 seconds
*** |--> calc = 0.095983 seconds
*** Disk write bandwidth = 9.88801078537485 MB/s
*** Disk read bandwidth = 13.7378475266934 MB/s
*** Minimum energy = -107.34589172008
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.34589172008
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34589172008
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.34589172008
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.345891722352
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.345891756328
Stats: nIt(DAVIDSON) = 16
Energy at sites (5, 6) is -107.346320199793
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.346325201758
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346325201757
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 2.185143 seconds
*** |--> S.join = 0.010287 seconds
*** |--> S.solve = 1.781307 seconds
*** |--> S.split = 0.016029 seconds
*** |--> Tensor update = 0.373795 seconds
*** |--> create = 0.109531 seconds
*** |--> destroy = 0.005299 seconds
*** |--> disk write = 0.083089 seconds
*** |--> disk read = 0.058962 seconds
*** |--> calc = 0.116675 seconds
*** Disk write bandwidth = 9.81071692632486 MB/s
*** Disk read bandwidth = 13.8866833060912 MB/s
*** Minimum energy = -107.346325201758
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.346325201757
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346325201758
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346325201757
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346325201758
Stats: nIt(DAVIDSON) = 6
Energy at sites (5, 6) is -107.346325206927
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -107.346326077206
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.346326106271
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.346326106297
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326106297
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 1.303116 seconds
*** |--> S.join = 0.005972 seconds
*** |--> S.solve = 0.898147 seconds
*** |--> S.split = 0.013881 seconds
*** |--> Tensor update = 0.381395 seconds
*** |--> create = 0.106678 seconds
*** |--> destroy = 0.005245 seconds
*** |--> disk write = 0.082693 seconds
*** |--> disk read = 0.059167 seconds
*** |--> calc = 0.127387 seconds
*** Disk write bandwidth = 9.90152275396648 MB/s
*** Disk read bandwidth = 13.7773194296044 MB/s
*** Minimum energy = -107.346326106297
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326106297
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326106297
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326106297
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326106297
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.346326106313
Stats: nIt(DAVIDSON) = 4
Energy at sites (5, 6) is -107.346326114516
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.346326114886
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114886
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.98456 seconds
*** |--> S.join = 0.008695 seconds
*** |--> S.solve = 0.596395 seconds
*** |--> S.split = 0.013923 seconds
*** |--> Tensor update = 0.361773 seconds
*** |--> create = 0.109594 seconds
*** |--> destroy = 0.005315 seconds
*** |--> disk write = 0.083656 seconds
*** |--> disk read = 0.060216 seconds
*** |--> calc = 0.102747 seconds
*** Disk write bandwidth = 9.74422227564558 MB/s
*** Disk read bandwidth = 13.5974927111357 MB/s
*** Minimum energy = -107.346326114886
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 9.13128957336085e-07
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346326114886
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114886
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326114887
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.346326114886
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115005
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.674942 seconds
*** |--> S.join = 0.009114 seconds
*** |--> S.solve = 0.299837 seconds
*** |--> S.split = 0.013974 seconds
*** |--> Tensor update = 0.348319 seconds
*** |--> create = 0.106679 seconds
*** |--> destroy = 0.005271 seconds
*** |--> disk write = 0.082364 seconds
*** |--> disk read = 0.059141 seconds
*** |--> calc = 0.094624 seconds
*** Disk write bandwidth = 9.94107402619773 MB/s
*** Disk read bandwidth = 13.7833763157777 MB/s
*** Minimum energy = -107.346326115005
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115005
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.660734 seconds
*** |--> S.join = 0.008271 seconds
*** |--> S.solve = 0.262521 seconds
*** |--> S.split = 0.014265 seconds
*** |--> Tensor update = 0.371924 seconds
*** |--> create = 0.109599 seconds
*** |--> destroy = 0.005222 seconds
*** |--> disk write = 0.083569 seconds
*** |--> disk read = 0.058986 seconds
*** |--> calc = 0.114313 seconds
*** Disk write bandwidth = 9.75436655567742 MB/s
*** Disk read bandwidth = 13.8810331450471 MB/s
*** Minimum energy = -107.346326115005
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.18376419777633e-10
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115005
*** Information on left sweep 3 of instruction 0:
*** Elapsed wall time = 0.631675 seconds
*** |--> S.join = 0.009116 seconds
*** |--> S.solve = 0.256526 seconds
*** |--> S.split = 0.013967 seconds
*** |--> Tensor update = 0.348384 seconds
*** |--> create = 0.106742 seconds
*** |--> destroy = 0.005211 seconds
*** |--> disk write = 0.0825160000000001 seconds
*** |--> disk read = 0.059115 seconds
*** |--> calc = 0.094556 seconds
*** Disk write bandwidth = 9.92276190185842 MB/s
*** Disk read bandwidth = 13.7894385298386 MB/s
*** Minimum energy = -107.346326115005
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326115005
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115005
*** Information on right sweep 3 of instruction 0:
*** Elapsed wall time = 0.689636 seconds
*** |--> S.join = 0.00834 seconds
*** |--> S.solve = 0.28245 seconds
*** |--> S.split = 0.017636 seconds
*** |--> Tensor update = 0.377422 seconds
*** |--> create = 0.109889 seconds
*** |--> destroy = 0.005707 seconds
*** |--> disk write = 0.084702 seconds
*** |--> disk read = 0.05888 seconds
*** |--> calc = 0.118005 seconds
*** Disk write bandwidth = 9.62388914891509 MB/s
*** Disk read bandwidth = 13.9060227767281 MB/s
*** Minimum energy = -107.346326115005
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.6843418860808e-14
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.346326115005
*** Minimum energy encountered during the last sweep = -107.346326115005
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.346326115005 and as Econst + 0.5*trace(2DM-A*Ham) = -107.346326115005
NOON of irrep Ag = [ 1.99999018538138 , 1.99292177840288 , 1.03221264443077 ].
NOON of irrep B2g = [ 1.02415296026917 ].
NOON of irrep B3g = [ 0.0896929942089575 ].
NOON of irrep B1u = [ 1.99999295585518 , 1.95039180532749 , 0.0159493961308757 ].
NOON of irrep B2u = [ 1.91962204172358 ].
NOON of irrep B3u = [ 1.9750732382697 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322918161353 , 0.0447139987830868 , 0.838965887828681 , 0.790658478678463 , 0.317367196592016 , 9.24988663388371e-05 , 0.227633030407209 , 0.0907418240419191 , 0.29965139481246 , 0.133978575740723 ].
Idistance(0) = 1.57214891463736
Idistance(1) = 5.15803282125742
Idistance(2) = 21.9865421658452
**************************************
RMS difference FCI and DMRG determinant coefficients = 3.0759382038e-06
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.302592 MB memory.
FCI::HamTimesVec : Wall time = 0.041512 seconds
FCI::HamTimesVec : Wall time = 0.040855 seconds
FCI::HamTimesVec : Wall time = 0.040836 seconds
FCI::HamTimesVec : Wall time = 0.040826 seconds
FCI::HamTimesVec : Wall time = 0.040779 seconds
FCI::HamTimesVec : Wall time = 0.040805 seconds
FCI::HamTimesVec : Wall time = 0.040765 seconds
FCI::HamTimesVec : Wall time = 0.0408230000000001 seconds
FCI::HamTimesVec : Wall time = 0.040855 seconds
FCI::HamTimesVec : Wall time = 0.04103 seconds
FCI::HamTimesVec : Wall time = 0.042156 seconds
FCI::HamTimesVec : Wall time = 0.082245 seconds
FCI::HamTimesVec : Wall time = 0.142699 seconds
FCI::HamTimesVec : Wall time = 0.080677 seconds
FCI::HamTimesVec : Wall time = 0.041017 seconds
FCI::HamTimesVec : Wall time = 0.040916 seconds
FCI::HamTimesVec : Wall time = 0.040986 seconds
FCI::HamTimesVec : Wall time = 0.040907 seconds
FCI::HamTimesVec : Wall time = 0.040921 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
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 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 -101.883507763971
Stats: nIt(DAVIDSON) = 31
Energy at sites (7, 8) is -106.417869163395
Stats: nIt(DAVIDSON) = 43
Energy at sites (6, 7) is -106.950822296361
Stats: nIt(DAVIDSON) = 61
Energy at sites (5, 6) is -107.185695561133
Stats: nIt(DAVIDSON) = 36
Energy at sites (4, 5) is -107.188838985658
Stats: nIt(DAVIDSON) = 26
Energy at sites (3, 4) is -107.19953971023
Stats: nIt(DAVIDSON) = 12
Energy at sites (2, 3) is -107.19955753745
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.19955753745
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 10.447406 seconds
*** |--> S.join = 0.006404 seconds
*** |--> S.solve = 10.068657 seconds
*** |--> S.split = 0.019845 seconds
*** |--> Tensor update = 0.348745 seconds
*** |--> create = 0.106001 seconds
*** |--> destroy = 0.005187 seconds
*** |--> disk write = 0.083418 seconds
*** |--> disk read = 0.059936 seconds
*** |--> calc = 0.09396 seconds
*** Disk write bandwidth = 10.0839014846073 MB/s
*** Disk read bandwidth = 13.9741546256111 MB/s
*** Minimum energy = -107.19955753745
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.19955753745
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.19955753745
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.19955753745
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.199557541942
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.199572043728
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -107.199613167547
Stats: nIt(DAVIDSON) = 9
Energy at sites (6, 7) is -107.199617290562
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617290562
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 2.419813 seconds
*** |--> S.join = 0.004523 seconds
*** |--> S.solve = 2.02141 seconds
*** |--> S.split = 0.013902 seconds
*** |--> Tensor update = 0.376219 seconds
*** |--> create = 0.112776 seconds
*** |--> destroy = 0.007518 seconds
*** |--> disk write = 0.101435 seconds
*** |--> disk read = 0.059087 seconds
*** |--> calc = 0.095175 seconds
*** Disk write bandwidth = 8.25706049825627 MB/s
*** Disk read bandwidth = 14.2362769144307 MB/s
*** Minimum energy = -107.199617290562
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.199617290562
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.199617290562
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617290562
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617290562
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -107.199617304139
Stats: nIt(DAVIDSON) = 5
Energy at sites (4, 5) is -107.199617335971
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.19961742098
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.199617421413
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421413
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 1.605735 seconds
*** |--> S.join = 0.008654 seconds
*** |--> S.solve = 1.224416 seconds
*** |--> S.split = 0.016914 seconds
*** |--> Tensor update = 0.352062 seconds
*** |--> create = 0.105782 seconds
*** |--> destroy = 0.005299 seconds
*** |--> disk write = 0.0827950000000001 seconds
*** |--> disk read = 0.059415 seconds
*** |--> calc = 0.09853 seconds
*** Disk write bandwidth = 10.159778900211 MB/s
*** Disk read bandwidth = 14.0966916038143 MB/s
*** Minimum energy = -107.199617421413
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421413
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421413
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421413
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421413
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.199617421519
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -107.19961742189
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.19961742189
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.19961742189
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.791125 seconds
*** |--> S.join = 0.008398 seconds
*** |--> S.solve = 0.392201 seconds
*** |--> S.split = 0.021675 seconds
*** |--> Tensor update = 0.365026 seconds
*** |--> create = 0.109113 seconds
*** |--> destroy = 0.005153 seconds
*** |--> disk write = 0.08382 seconds
*** |--> disk read = 0.05911 seconds
*** |--> calc = 0.107543 seconds
*** Disk write bandwidth = 9.99230412360564 MB/s
*** Disk read bandwidth = 14.230737507071 MB/s
*** Minimum energy = -107.19961742189
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.31327425378913e-07
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.19961742189
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.19961742189
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421889
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.613455 seconds
*** |--> S.join = 0.004964 seconds
*** |--> S.solve = 0.241704 seconds
*** |--> S.split = 0.014056 seconds
*** |--> Tensor update = 0.348973 seconds
*** |--> create = 0.106195 seconds
*** |--> destroy = 0.005366 seconds
*** |--> disk write = 0.083247 seconds
*** |--> disk read = 0.059847 seconds
*** |--> calc = 0.09406 seconds
*** Disk write bandwidth = 10.1046151097693 MB/s
*** Disk read bandwidth = 13.9949359473428 MB/s
*** Minimum energy = -107.19961742189
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.199617421889
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.19961742189
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421889
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.693702 seconds
*** |--> S.join = 0.012771 seconds
*** |--> S.solve = 0.276137 seconds
*** |--> S.split = 0.023311 seconds
*** |--> Tensor update = 0.378896 seconds
*** |--> create = 0.112047 seconds
*** |--> destroy = 0.006607 seconds
*** |--> disk write = 0.090312 seconds
*** |--> disk read = 0.066248 seconds
*** |--> calc = 0.103407 seconds
*** Disk write bandwidth = 9.27401598503659 MB/s
*** Disk read bandwidth = 12.6974232285196 MB/s
*** Minimum energy = -107.19961742189
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.13686837721616e-13
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.19961742189
*** Minimum energy encountered during the last sweep = -107.19961742189
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.199617421889 and as Econst + 0.5*trace(2DM-A*Ham) = -107.199617421889
NOON of irrep Ag = [ 1.99998814653727 , 1.98924043159434 , 1.876877261318 ].
NOON of irrep B2g = [ 0.139389089216617 ].
NOON of irrep B3g = [ 1.0311281106959 ].
NOON of irrep B1u = [ 1.99999431243263 , 1.10839312449599 , 0.0211634736883502 ].
NOON of irrep B2u = [ 1.96715729297798 ].
NOON of irrep B3u = [ 1.86666875704295 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149979831470502 , 0.0818412675467455 , 0.449626940251316 , 0.486648434262693 , 0.811031512719473 , 6.68868452047145e-05 , 0.962048644879392 , 0.112094058604113 , 0.167178984703609 , 0.475085853058367 ].
Idistance(0) = 2.38447234084299
Idistance(1) = 9.58004551368284
Idistance(2) = 47.8786995556983
**************************************
RMS difference FCI and DMRG determinant coefficients = 7.26603564508e-06
Info on DMRG::operators rm call to system: 0
================> Did test 1 succeed : yes
make[1]: Leaving directory '/«PKGBUILDDIR»'
fakeroot debian/rules binary-arch
dh binary-arch --with python2
dh_testroot -a
dh_prep -a
debian/rules override_dh_auto_install
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_auto_install
make -j1 install DESTDIR=/«PKGBUILDDIR»/debian/tmp AM_UPDATE_INFO_DIR=no
make[2]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[3]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 84%] Built target chemps2-base
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 84%] Built target chemps2-shared
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 84%] Built target chemps2-static
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 85%] Built target chemps2bin
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 87%] Built target test1
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 88%] Built target test10
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 90%] Built target test2
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 91%] Built target test3
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 92%] Built target test4
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 94%] Built target test5
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 95%] Built target test6
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 97%] Built target test7
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 98%] Built target test8
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[100%] Built target test9
make[3]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Install the project...
-- Install configuration: "None"
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so.1
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so
-- Removed runtime path from "/«PKGBUILDDIR»/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so.1"
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.a
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/CASSCF.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/ConvergenceScheme.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Correlations.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DIIS.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRG.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFVmatRotations.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFindices.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Davidson.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/FCI.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/FourIndex.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Gsl.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Hamiltonian.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Heff.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Initialize.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Irreps.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Lapack.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/MPIchemps2.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/MyHDF5.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Options.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Problem.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Sobject.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/SyBookkeeper.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Tensor.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorA.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorB.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorC.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorD.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorDiag.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF0.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF0Cbase.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF1.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF1Dbase.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorGYZ.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorK.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorL.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorM.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorO.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorQ.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS0.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS0Abase.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS1.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS1Bbase.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorSwap.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorT.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorX.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoDM.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoDMstorage.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoIndex.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/bin/chemps2
-- Removed runtime path from "/«PKGBUILDDIR»/debian/tmp/usr/bin/chemps2"
make[2]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
# 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_py
copying ReadinHamiltonianFCIDUMP.py -> build/lib.linux-armv7l-2.7
copying ReadinHamiltonianPsi4.py -> build/lib.linux-armv7l-2.7
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-armv7l-2.7/PyCheMPS2.so -> ../debian/tmp/usr/lib/python2.7/dist-packages
copying build/lib.linux-armv7l-2.7/ReadinHamiltonianFCIDUMP.py -> ../debian/tmp/usr/lib/python2.7/dist-packages
copying build/lib.linux-armv7l-2.7/ReadinHamiltonianPsi4.py -> ../debian/tmp/usr/lib/python2.7/dist-packages
byte-compiling ../debian/tmp/usr/lib/python2.7/dist-packages/ReadinHamiltonianFCIDUMP.py to ReadinHamiltonianFCIDUMP.pyc
byte-compiling ../debian/tmp/usr/lib/python2.7/dist-packages/ReadinHamiltonianPsi4.py to ReadinHamiltonianPsi4.pyc
running install_egg_info
Writing ../debian/tmp/usr/lib/python2.7/dist-packages/CheMPS2-1.6.egg-info
dh_numpy
make[1]: Leaving directory '/«PKGBUILDDIR»'
dh_install -a
dh_installdocs -a
debian/rules override_dh_installchangelogs
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_installchangelogs -k CHANGELOG.md
make[1]: Leaving directory '/«PKGBUILDDIR»'
debian/rules override_dh_installman
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_installman chemps2.1
make[1]: Leaving directory '/«PKGBUILDDIR»'
dh_python2 -a
I: dh_python2 fs:316: renaming PyCheMPS2.so to PyCheMPS2.arm-linux-gnueabihf.so
dh_perl -a
dh_link -a
dh_compress -a
dh_fixperms -a
dh_strip -a
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/CASSCF.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/CASSCFdebug.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/ConvergenceScheme.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/Correlations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/Davidson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DIIS.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRG.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGmpsio.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGoperators.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGSCFindices.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGSCFoptions.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGSCFunitary.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGSCFVmatRotations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/DMRGtechnics.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/FCI.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/FourIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/Hamiltonian.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/Heff.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/HeffDiagonal.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/HeffDiagrams1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/HeffDiagrams2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/HeffDiagrams3.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/HeffDiagrams4.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/HeffDiagrams5.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/Initialize.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/Irreps.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/PrintLicense.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/Problem.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/Sobject.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/SyBookkeeper.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorA.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorB.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorC.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorD.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorDiag.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorF0Cbase.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorF0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorF1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorF1Dbase.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorGYZ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorK.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorL.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorO.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorQ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorS0Abase.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorS0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorS1Bbase.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorS1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorSwap.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorT.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TensorX.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TwoDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TwoDMstorage.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st8gvUdk/TwoIndex.cpp.o: plugin needed to handle lto object
dh_makeshlibs -a
dpkg-gensymbols: warning: debian/libchemps2-1/DEBIAN/symbols doesn't match completely debian/libchemps2-1.symbols
--- debian/libchemps2-1.symbols (libchemps2-1_1.6-1_armhf)
+++ dpkg-gensymbolsfpP2ze 2015-09-21 19:57:43.200526193 +0000
@@ -26,26 +26,26 @@
_ZN7CheMPS210TensorSwapD1Ev@Base 1.5
_ZN7CheMPS210TensorSwapD2Ev@Base 1.5
(optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ESsSsSs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ESsSsSs@Base 1.5
(optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPESs@Base 1.5
(optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpESs@Base 1.5
(optional)_ZN7CheMPS211Hamiltonian4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZN7CheMPS211Hamiltonian4readESsSsSs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS211Hamiltonian4readESsSsSs@Base 1.5
_ZN7CheMPS211Hamiltonian7setTmatEiid@Base 1.5
_ZN7CheMPS211Hamiltonian7setVmatEiiiid@Base 1.5
_ZN7CheMPS211Hamiltonian9addToVmatEiiiid@Base 1.5
_ZN7CheMPS211Hamiltonian9setEconstEd@Base 1.5
(optional)_ZN7CheMPS211HamiltonianC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5
- (optional)_ZN7CheMPS211HamiltonianC1ESsi@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS211HamiltonianC1ESsi@Base 1.5
(optional)_ZN7CheMPS211HamiltonianC1EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZN7CheMPS211HamiltonianC1EbSsSsSs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS211HamiltonianC1EbSsSsSs@Base 1.5
_ZN7CheMPS211HamiltonianC1EiiPKi@Base 1.5
(optional)_ZN7CheMPS211HamiltonianC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5
- (optional)_ZN7CheMPS211HamiltonianC2ESsi@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS211HamiltonianC2ESsi@Base 1.5
(optional)_ZN7CheMPS211HamiltonianC2EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZN7CheMPS211HamiltonianC2EbSsSsSs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS211HamiltonianC2EbSsSsSs@Base 1.5
_ZN7CheMPS211HamiltonianC2EiiPKi@Base 1.5
_ZN7CheMPS211HamiltonianD0Ev@Base 1.5
_ZN7CheMPS211HamiltonianD1Ev@Base 1.5
@@ -68,7 +68,7 @@
_ZN7CheMPS212TwoDMstorage20calcNumberOfElementsEb@Base 1.5
_ZN7CheMPS212TwoDMstorage3setEiiiiiiiid@Base 1.5
(optional)_ZN7CheMPS212TwoDMstorage4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS212TwoDMstorage4readESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS212TwoDMstorage4readESs@Base 1.5
_ZN7CheMPS212TwoDMstorage5ClearEv@Base 1.5
_ZN7CheMPS212TwoDMstorageC1EiPKi@Base 1.5
_ZN7CheMPS212TwoDMstorageC2EiPKi@Base 1.5
@@ -148,13 +148,13 @@
_ZN7CheMPS214DMRGSCFoptions17setStartLocRandomEb@Base 1.5
_ZN7CheMPS214DMRGSCFoptions17setStateAveragingEb@Base 1.5
(optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameESs@Base 1.5
_ZN7CheMPS214DMRGSCFoptions19setDumpCorrelationsEb@Base 1.5
_ZN7CheMPS214DMRGSCFoptions19setWhichActiveSpaceEi@Base 1.5
_ZN7CheMPS214DMRGSCFoptions20setGradientThresholdEd@Base 1.5
_ZN7CheMPS214DMRGSCFoptions21setDIISGradientBranchEd@Base 1.5
(optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameESs@Base 1.5
_ZN7CheMPS214DMRGSCFoptions9setDoDIISEb@Base 1.5
_ZN7CheMPS214DMRGSCFoptionsC1Ev@Base 1.5
_ZN7CheMPS214DMRGSCFoptionsC2Ev@Base 1.5
@@ -165,7 +165,7 @@
_ZN7CheMPS214DMRGSCFunitary23makeSureAllBlocksDetOneEPdS1_@Base 1.5
_ZN7CheMPS214DMRGSCFunitary24rotateActiveSpaceVectorsEPdS1_@Base 1.5
(optional)_ZN7CheMPS214DMRGSCFunitary5loadUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS214DMRGSCFunitary5loadUESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS214DMRGSCFunitary5loadUESs@Base 1.5
_ZN7CheMPS214DMRGSCFunitary8getBlockEi@Base 1.5
_ZN7CheMPS214DMRGSCFunitaryC1EPNS_14DMRGSCFindicesE@Base 1.5
_ZN7CheMPS214DMRGSCFunitaryC2EPNS_14DMRGSCFindicesE@Base 1.5
@@ -229,7 +229,7 @@
_ZN7CheMPS24DIIS12getLastLincoEv@Base 1.5
_ZN7CheMPS24DIIS14calculateParamEPd@Base 1.5
(optional)_ZN7CheMPS24DIIS8loadDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS24DIIS8loadDIISESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS24DIIS8loadDIISESs@Base 1.5
_ZN7CheMPS24DIIS9appendNewEPdS1_@Base 1.5
_ZN7CheMPS24DIISC1Eiii@Base 1.5
_ZN7CheMPS24DIISC2Eiii@Base 1.5
@@ -248,9 +248,9 @@
_ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.5
_ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.5
(optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6
- (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExSs@Base 1.6
+#MISSING: 1.6-1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExSs@Base 1.6
(optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6
- (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExSs@Base 1.6
+#MISSING: 1.6-1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExSs@Base 1.6
_ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.5
_ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.5
_ZN7CheMPS24DMRG20updateMovingLeftSafeEi@Base 1.5
@@ -264,15 +264,15 @@
_ZN7CheMPS24DMRG30updateMovingRightSafeFirstTimeEi@Base 1.5
_ZN7CheMPS24DMRG5SolveEv@Base 1.5
(optional)_ZN7CheMPS24DMRG7loadDIMENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPNS_12SyBookkeeperE@Base 1.5
- (optional)_ZN7CheMPS24DMRG7loadDIMESsPNS_12SyBookkeeperE@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS24DMRG7loadDIMESsPNS_12SyBookkeeperE@Base 1.5
(optional)_ZN7CheMPS24DMRG7loadMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPb@Base 1.5
- (optional)_ZN7CheMPS24DMRG7loadMPSESsPPNS_7TensorTEPb@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS24DMRG7loadMPSESsPPNS_7TensorTEPb@Base 1.5
_ZN7CheMPS24DMRG8PreSolveEv@Base 1.5
_ZN7CheMPS24DMRG9sweepleftEbib@Base 1.5
(optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5
(optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5
_ZN7CheMPS24DMRGD0Ev@Base 1.5
_ZN7CheMPS24DMRGD1Ev@Base 1.5
_ZN7CheMPS24DMRGD2Ev@Base 1.5
@@ -327,7 +327,7 @@
_ZN7CheMPS26CASSCF17getNumberOfIrrepsEv@Base 1.5
(optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
_ZN7CheMPS26CASSCF18allocateAndFillOCCEPiS1_@Base 1.5
- (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCESs@Base 1.5
_ZN7CheMPS26CASSCF18augmentedHessianNREPKNS_13DMRGSCFmatrixEPKNS_13DMRGSCFwtildeEPKNS_14DMRGSCFindicesEPKNS_14DMRGSCFunitaryEPdSD_SD_@Base 1.5
_ZN7CheMPS26CASSCF21doCASSCFnewtonraphsonEiiiPNS_17ConvergenceSchemeEiPNS_14DMRGSCFoptionsE@Base 1.5
_ZN7CheMPS26CASSCF29fillLocalizedOrbitalRotationsEPNS_14DMRGSCFunitaryEPNS_14DMRGSCFindicesEPd@Base 1.5
@@ -338,22 +338,22 @@
_ZN7CheMPS26CASSCF9buildFmatEPNS_13DMRGSCFmatrixEPKS1_S4_S4_PKNS_14DMRGSCFindicesEPKNS_16DMRGSCFintegralsEPdSB_@Base 1.5
(optional)_ZN7CheMPS26CASSCFC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
_ZN7CheMPS26CASSCFC1EPNS_11HamiltonianEPiS3_@Base 1.5
- (optional)_ZN7CheMPS26CASSCFC1ESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS26CASSCFC1ESs@Base 1.5
(optional)_ZN7CheMPS26CASSCFC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
_ZN7CheMPS26CASSCFC2EPNS_11HamiltonianEPiS3_@Base 1.5
- (optional)_ZN7CheMPS26CASSCFC2ESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS26CASSCFC2ESs@Base 1.5
_ZN7CheMPS26CASSCFD0Ev@Base 1.5
_ZN7CheMPS26CASSCFD1Ev@Base 1.5
_ZN7CheMPS26CASSCFD2Ev@Base 1.5
(optional)_ZN7CheMPS26Irreps12getGroupNameB5cxx11Ei@Base 1.5
- (optional)_ZN7CheMPS26Irreps12getGroupNameEi@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS26Irreps12getGroupNameEi@Base 1.5
(optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6
- (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiSs@Base 1.6
+#MISSING: 1.6-1# (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiSs@Base 1.6
_ZN7CheMPS26Irreps17getNumberOfIrrepsEi@Base 1.5
(optional)_ZN7CheMPS26Irreps19getGroupNamePrivateB5cxx11Ei@Base 1.5
- (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateEi@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateEi@Base 1.5
(optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateB5cxx11Eii@Base 1.5
- (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateEii@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateEii@Base 1.5
_ZN7CheMPS26Irreps8printAllEv@Base 1.5
_ZN7CheMPS26Irreps8setGroupEi@Base 1.5
_ZN7CheMPS26IrrepsC1Ei@Base 1.5
@@ -555,7 +555,7 @@
_ZN7CheMPS28TensorS1D2Ev@Base 1.5
_ZN7CheMPS28TwoIndex3setEiiid@Base 1.5
(optional)_ZN7CheMPS28TwoIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS28TwoIndex4readESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS28TwoIndex4readESs@Base 1.5
_ZN7CheMPS28TwoIndex5ClearEv@Base 1.5
_ZN7CheMPS28TwoIndexC1EiPKi@Base 1.5
_ZN7CheMPS28TwoIndexC2EiPKi@Base 1.5
@@ -566,7 +566,7 @@
_ZN7CheMPS29FourIndex3addEiiiiiiiid@Base 1.5
_ZN7CheMPS29FourIndex3setEiiiiiiiid@Base 1.5
(optional)_ZN7CheMPS29FourIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS29FourIndex4readESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZN7CheMPS29FourIndex4readESs@Base 1.5
_ZN7CheMPS29FourIndex5ClearEv@Base 1.5
_ZN7CheMPS29FourIndexC1EiPKi@Base 1.5
_ZN7CheMPS29FourIndexC2EiPKi@Base 1.5
@@ -591,11 +591,11 @@
_ZNK7CheMPS210TensorSwap7gNKappaEv@Base 1.5
_ZNK7CheMPS211Hamiltonian10debugcheckEv@Base 1.5
(optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEiii@Base 1.6
- (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPESsiii@Base 1.6
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPESsiii@Base 1.6
_ZNK7CheMPS211Hamiltonian15getOrbitalIrrepEi@Base 1.5
_ZNK7CheMPS211Hamiltonian4getLEv@Base 1.5
(optional)_ZNK7CheMPS211Hamiltonian4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZNK7CheMPS211Hamiltonian4saveESsSsSs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS211Hamiltonian4saveESsSsSs@Base 1.5
_ZNK7CheMPS211Hamiltonian7getTmatEii@Base 1.5
_ZNK7CheMPS211Hamiltonian7getVmatEiiii@Base 1.5
_ZNK7CheMPS211Hamiltonian9getEconstEv@Base 1.5
@@ -639,7 +639,7 @@
_ZNK7CheMPS212TwoDMstorage10getPointerEiiiiiiii@Base 1.5
_ZNK7CheMPS212TwoDMstorage3getEiiiiiiii@Base 1.5
(optional)_ZNK7CheMPS212TwoDMstorage4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS212TwoDMstorage4saveESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS212TwoDMstorage4saveESs@Base 1.5
_ZNK7CheMPS213DMRGSCFmatrix3getEiii@Base 1.5
_ZNK7CheMPS213DMRGSCFwtilde3getEiiiiii@Base 1.5
_ZNK7CheMPS213TensorF0Cbase12gKappa2indexEi@Base 1.5
@@ -681,13 +681,13 @@
_ZNK7CheMPS214DMRGSCFoptions17getStartLocRandomEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions17getStateAveragingEv@Base 1.5
(optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameB5cxx11Ev@Base 1.5
- (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameEv@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions19getDumpCorrelationsEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions19getWhichActiveSpaceEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions20getGradientThresholdEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions21getDIISGradientBranchEv@Base 1.5
(optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameB5cxx11Ev@Base 1.5
- (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameEv@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions9getDoDIISEv@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary13getFirstIndexEi@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary14buildSkewSymmXEiPdS1_b@Base 1.5
@@ -695,11 +695,11 @@
_ZNK7CheMPS214DMRGSCFunitary14getSecondIndexEi@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary16getNumVariablesXEv@Base 1.5
(optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryESs@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary25CheckDeviationFromUnitaryEPd@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary3BCHEPdS1_S1_S1_S1_@Base 1.5
(optional)_ZNK7CheMPS214DMRGSCFunitary5saveUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUESs@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary6getLogEPdS1_S1_@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary9getJumperEii@Base 1.5
_ZNK7CheMPS216DMRGSCFintegrals11get_coulombEiiiiiiii@Base 1.5
@@ -748,15 +748,15 @@
_ZNK7CheMPS24DIIS15getNumVarsErrorEv@Base 1.5
_ZNK7CheMPS24DIIS15getNumVarsParamEv@Base 1.5
(optional)_ZNK7CheMPS24DIIS16deleteStoredDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISESs@Base 1.5
_ZNK7CheMPS24DIIS17getCurrentNumVecsEv@Base 1.5
(optional)_ZNK7CheMPS24DIIS8saveDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS24DIIS8saveDIISESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS24DIIS8saveDIISESs@Base 1.5
_ZNK7CheMPS24DMRG17getFCIcoefficientEPiS1_b@Base 1.5
_ZNK7CheMPS24DMRG19cleanup_excitationsEPPd@Base 1.5
_ZNK7CheMPS24DMRG22getSpecificCoefficientEPi@Base 1.5
(optional)_ZNK7CheMPS24DMRG7saveMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5
- (optional)_ZNK7CheMPS24DMRG7saveMPSESsPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS24DMRG7saveMPSESsPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5
_ZNK7CheMPS24Heff12addDiagram1AEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5
_ZNK7CheMPS24Heff12addDiagram1BEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5
_ZNK7CheMPS24Heff12addDiagram1CEiPdS1_PKNS_7SobjectEd@Base 1.5
@@ -847,15 +847,15 @@
_ZNK7CheMPS25TwoDM13getTwoDMA_HAMEiiii@Base 1.5
_ZNK7CheMPS25TwoDM13getTwoDMB_HAMEiiii@Base 1.5
(optional)_ZNK7CheMPS25TwoDM13write2DMAfileENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6
- (optional)_ZNK7CheMPS25TwoDM13write2DMAfileESs@Base 1.6
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS25TwoDM13write2DMAfileESs@Base 1.6
_ZNK7CheMPS25TwoDM14getTwoDMA_DMRGEiiii@Base 1.5
_ZNK7CheMPS25TwoDM14getTwoDMB_DMRGEiiii@Base 1.5
_ZNK7CheMPS25TwoDM9printNOONEv@Base 1.6
_ZNK7CheMPS26CASSCF20fillConstAndTmatDMRGEPNS_11HamiltonianE@Base 1.5
(optional)_ZNK7CheMPS26Irreps12getGroupNameB5cxx11Ev@Base 1.5
- (optional)_ZNK7CheMPS26Irreps12getGroupNameEv@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS26Irreps12getGroupNameEv@Base 1.5
(optional)_ZNK7CheMPS26Irreps12getIrrepNameB5cxx11Ei@Base 1.5
- (optional)_ZNK7CheMPS26Irreps12getIrrepNameEi@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS26Irreps12getIrrepNameEi@Base 1.5
_ZNK7CheMPS26Irreps14getGroupNumberEv@Base 1.5
_ZNK7CheMPS26Irreps14getIsActivatedEv@Base 1.5
_ZNK7CheMPS26Irreps15symm_psi2molproEPi@Base 1.6
@@ -893,7 +893,7 @@
_ZNK7CheMPS28Davidson21GetNumMultiplicationsEv@Base 1.5
_ZNK7CheMPS28TwoIndex3getEiii@Base 1.5
(optional)_ZNK7CheMPS28TwoIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS28TwoIndex4saveESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS28TwoIndex4saveESs@Base 1.5
_ZNK7CheMPS29FourIndex10getPointerEiiiiiiii@Base 1.5
_ZNK7CheMPS29FourIndex12getPtrAllOK1Eiiiiiii@Base 1.5
_ZNK7CheMPS29FourIndex12getPtrAllOK2Eiiiiiii@Base 1.5
@@ -901,7 +901,7 @@
_ZNK7CheMPS29FourIndex18getPtrIrrepOrderOKEiiiiiiii@Base 1.5
_ZNK7CheMPS29FourIndex3getEiiiiiiii@Base 1.5
(optional)_ZNK7CheMPS29FourIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS29FourIndex4saveESs@Base 1.5
+#MISSING: 1.6-1# (optional)_ZNK7CheMPS29FourIndex4saveESs@Base 1.5
_ZTIN7CheMPS210InitializeE@Base 1.5
_ZTIN7CheMPS210TensorDiagE@Base 1.5
_ZTIN7CheMPS210TensorSwapE@Base 1.5
dh_shlibdeps -a
dpkg-shlibdeps: warning: symbol __aeabi_atexit@CXXABI_ARM_1.3.3 used by debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 found in none of the libraries
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 was not linked against libdl.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 was not linked against libz.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 was not linked against libatlas.so.3 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 was not linked against libgslcblas.so.0 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: debian/chemps2/usr/bin/chemps2 contains an unresolvable reference to symbol __aeabi_atexit@CXXABI_ARM_1.3.3: it's probably a plugin
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libpthread.so.0 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libgomp.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-chemps2/usr/lib/python2.7/dist-packages/PyCheMPS2.arm-linux-gnueabihf.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: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package libchemps2-1: unused substitution variable ${python:Depends}
dpkg-gencontrol: warning: Depends field of package libchemps2-dev: unknown substitution variable ${shlibs:Depends}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package libchemps2-dev: unused substitution variable ${python:Depends}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package chemps2: unused substitution variable ${python:Depends}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
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
dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.6-1_armhf.deb'.
dpkg-deb: building package 'libchemps2-1' in '../libchemps2-1_1.6-1_armhf.deb'.
dpkg-deb: building package 'chemps2' in '../chemps2_1.6-1_armhf.deb'.
dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.6-1_armhf.deb'.
dpkg-genchanges -B -mRaspbian wandboard test autobuilder <root@raspbian.org> >../chemps2_1.6-1_armhf.changes
dpkg-genchanges: binary-only arch-specific upload (source code and arch-indep packages not included)
dpkg-source --after-build chemps2-1.6
dpkg-buildpackage: binary-only upload (no source included)
────────────────────────────────────────────────────────────────────────────────
Build finished at 20150921-1958
Finished
────────
I: Built successfully
┌──────────────────────────────────────────────────────────────────────────────┐
│ Post Build Chroot │
└──────────────────────────────────────────────────────────────────────────────┘
┌──────────────────────────────────────────────────────────────────────────────┐
│ Changes │
└──────────────────────────────────────────────────────────────────────────────┘
chemps2_1.6-1_armhf.changes:
────────────────────────────
Format: 1.8
Date: Fri, 28 Aug 2015 10:10:14 -0400
Source: chemps2
Binary: libchemps2-1 libchemps2-dev chemps2-doc chemps2 python-chemps2
Architecture: armhf
Version: 1.6-1
Distribution: stretch-staging
Urgency: low
Maintainer: Raspbian wandboard test autobuilder <root@raspbian.org>
Changed-By: Sebastian Wouters <sebastianwouters@gmail.com>
Description:
chemps2 - Executable to call libchemps2-1 from the command line
chemps2-doc - Documentation of the libchemps2-1 package
libchemps2-1 - Spin-adapted DMRG for ab initio quantum chemistry
libchemps2-dev - C++ headers, static library, and symlink for libchemps2-1
python-chemps2 - Python 2 interface for libchemps2-1
Closes: 795789
Changes:
chemps2 (1.6-1) unstable; urgency=low
.
* Upstream release v1.6
* debian/control: Standards-Version 3.9.6
* Package: chemps2 (executable)
* Fix lintian warnings jquery.js and underscore.js
* Fix watch file (Closes: #795789)
* Update libchemps2-1.symbols for cxx11 (new symbols v1.6)
Checksums-Sha1:
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Files:
81e25a2ffb046889982c353833b62aa2 11872 science optional chemps2_1.6-1_armhf.deb
9028c90cfc99abca85a658d08c0d7087 258164 libs optional libchemps2-1_1.6-1_armhf.deb
d6f786b38c41300534c4a5013a7b69be 5238916 libdevel optional libchemps2-dev_1.6-1_armhf.deb
7127faecf726730a4d63075cab95c981 61990 python optional python-chemps2_1.6-1_armhf.deb
┌──────────────────────────────────────────────────────────────────────────────┐
│ Package contents │
└──────────────────────────────────────────────────────────────────────────────┘
chemps2_1.6-1_armhf.deb
───────────────────────
new debian package, version 2.0.
size 11872 bytes: control archive=1151 bytes.
1491 bytes, 30 lines control
261 bytes, 4 lines md5sums
Package: chemps2
Version: 1.6-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 34
Depends: libc6 (>= 2.4), libchemps2-1 (= 1.6-1), libgcc1 (>= 1:4.4.0), libgomp1 (>= 4.2.1), libstdc++6 (>= 5.2)
Suggests: chemps2-doc
Section: science
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Executable to call libchemps2-1 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 method allows one to obtain
numerical accuracy in active spaces beyond the capabilities of
full configuration interaction (FCI).
.
For an input Hamiltonian and targeted symmetry sector, the library
performs successive DMRG sweeps according to a user-defined
convergence scheme. As output, the library returns the minimal
encountered energy as well as the second order reduced density
matrix (2-RDM) of the active space. With the latter, various
molecular properties can be calculated, as well as the gradient and
Hessian for orbital rotations or nuclear displacements. In addition,
several correlation functions can be obtained to investigate the
electronic structure in the active space.
.
This package installs the executable which parses Hamiltonians in
fcidump format, performs DMRG sweeps according to a user-defined
convergence scheme, and writes the 2-RDM as output.
drwxr-xr-x root/root 0 2015-09-21 19:58 ./
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/bin/
-rwxr-xr-x root/root 22168 2015-09-21 19:57 ./usr/bin/chemps2
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/doc/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/doc/chemps2/
lrwxrwxrwx root/root 0 2015-09-21 19:57 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 511 2015-09-03 13:38 ./usr/share/doc/chemps2/changelog.Debian.gz
-rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/chemps2/changelog.gz
-rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/chemps2/copyright
libchemps2-1_1.6-1_armhf.deb
────────────────────────────
new debian package, version 2.0.
size 258164 bytes: control archive=8931 bytes.
1664 bytes, 33 lines control
444 bytes, 6 lines md5sums
135 bytes, 7 lines * postinst #!/bin/sh
132 bytes, 7 lines * postrm #!/bin/sh
26 bytes, 1 lines shlibs
56609 bytes, 1007 lines symbols
Package: libchemps2-1
Source: chemps2
Version: 1.6-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 867
Depends: libatlas3-base, libc6 (>= 2.4), libgcc1 (>= 1:4.4.0), libgomp1 (>= 4.9), libgsl0ldbl (>= 1.9), libhdf5-8, liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2), zlib1g (>= 1:1.1.4)
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 method allows one to obtain
numerical accuracy in active spaces beyond the capabilities of
full configuration interaction (FCI): up to 40 electrons in 40
orbitals for general active spaces; and up to 100 electrons in
100 orbitals for one-dimensional active spaces, such as the
pi-system of all-trans polyenes.
.
For an input Hamiltonian and targeted symmetry sector, the library
performs successive DMRG sweeps according to a user-defined
convergence scheme. As output, the library returns the minimal
encountered energy as well as the second order reduced density
matrix (2-RDM) of the active space. With the latter, various
molecular properties can be calculated, as well as the gradient and
Hessian for orbital rotations or nuclear displacements. In addition,
several correlation functions can be obtained to investigate the
electronic structure in the active space.
.
This version of chemps2 is parallelized for shared memory
architectures with OpenMP.
drwxr-xr-x root/root 0 2015-09-21 19:57 ./
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/lib/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/lib/arm-linux-gnueabihf/
-rw-r--r-- root/root 799244 2015-09-21 19:57 ./usr/lib/arm-linux-gnueabihf/libchemps2.so.1
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/doc/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/doc/libchemps2-1/
lrwxrwxrwx root/root 0 2015-09-21 19:57 ./usr/share/doc/libchemps2-1/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 9159 2015-08-26 22:55 ./usr/share/doc/libchemps2-1/README.md.gz
-rw-r--r-- root/root 511 2015-09-03 13:38 ./usr/share/doc/libchemps2-1/changelog.Debian.gz
-rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/libchemps2-1/changelog.gz
-rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/libchemps2-1/copyright
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/man/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/man/man1/
-rw-r--r-- root/root 2073 2015-09-21 19:57 ./usr/share/man/man1/chemps2.1.gz
libchemps2-dev_1.6-1_armhf.deb
──────────────────────────────
new debian package, version 2.0.
size 5238916 bytes: control archive=2588 bytes.
1340 bytes, 30 lines control
3880 bytes, 58 lines md5sums
Package: libchemps2-dev
Source: chemps2
Version: 1.6-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 6212
Depends: libchemps2-1 (= 1.6-1)
Suggests: chemps2-doc
Section: libdevel
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: C++ headers, static library, and symlink for libchemps2-1
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This method allows one to obtain
numerical accuracy in active spaces beyond the capabilities of
full configuration interaction (FCI).
.
For an input Hamiltonian and targeted symmetry sector, the library
performs successive DMRG sweeps according to a user-defined
convergence scheme. As output, the library returns the minimal
encountered energy as well as the second order reduced density
matrix (2-RDM) of the active space. With the latter, various
molecular properties can be calculated, as well as the gradient and
Hessian for orbital rotations or nuclear displacements. In addition,
several correlation functions can be obtained to investigate the
electronic structure in the active space.
.
This package installs the C++ headers, static library, and symlink
for libchemps2.
drwxr-xr-x root/root 0 2015-09-21 19:58 ./
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/include/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/include/chemps2/
-rw-r--r-- root/root 25662 2015-08-26 22:55 ./usr/include/chemps2/CASSCF.h
-rw-r--r-- root/root 4281 2015-08-26 22:55 ./usr/include/chemps2/ConvergenceScheme.h
-rw-r--r-- root/root 14787 2015-08-26 22:55 ./usr/include/chemps2/Correlations.h
-rw-r--r-- root/root 4535 2015-08-26 22:55 ./usr/include/chemps2/DIIS.h
-rw-r--r-- root/root 11487 2015-08-26 22:55 ./usr/include/chemps2/DMRG.h
-rw-r--r-- root/root 6463 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFVmatRotations.h
-rw-r--r-- root/root 6028 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFindices.h
-rw-r--r-- root/root 10507 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFintegrals.h
-rw-r--r-- root/root 2708 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFmatrix.h
-rw-r--r-- root/root 10235 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFoptions.h
-rw-r--r-- root/root 11873 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFunitary.h
-rw-r--r-- root/root 5006 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFwtilde.h
-rw-r--r-- root/root 4707 2015-08-26 22:55 ./usr/include/chemps2/Davidson.h
-rw-r--r-- root/root 12926 2015-08-26 22:55 ./usr/include/chemps2/EdmistonRuedenberg.h
-rw-r--r-- root/root 39938 2015-08-26 22:55 ./usr/include/chemps2/FCI.h
-rw-r--r-- root/root 8324 2015-08-26 22:55 ./usr/include/chemps2/FourIndex.h
-rw-r--r-- root/root 1392 2015-08-26 22:55 ./usr/include/chemps2/Gsl.h
-rw-r--r-- root/root 10068 2015-08-26 22:55 ./usr/include/chemps2/Hamiltonian.h
-rw-r--r-- root/root 17880 2015-08-26 22:55 ./usr/include/chemps2/Heff.h
-rw-r--r-- root/root 1426 2015-08-26 22:55 ./usr/include/chemps2/Initialize.h
-rw-r--r-- root/root 7775 2015-08-26 22:55 ./usr/include/chemps2/Irreps.h
-rw-r--r-- root/root 2265 2015-08-26 22:55 ./usr/include/chemps2/Lapack.h
-rw-r--r-- root/root 11659 2015-08-26 22:55 ./usr/include/chemps2/MPIchemps2.h
-rw-r--r-- root/root 1184 2015-08-26 22:55 ./usr/include/chemps2/MyHDF5.h
-rw-r--r-- root/root 3519 2015-08-26 22:55 ./usr/include/chemps2/Options.h
-rw-r--r-- root/root 6887 2015-08-26 22:55 ./usr/include/chemps2/Problem.h
-rw-r--r-- root/root 9458 2015-08-26 22:55 ./usr/include/chemps2/Sobject.h
-rw-r--r-- root/root 7047 2015-08-26 22:55 ./usr/include/chemps2/SyBookkeeper.h
-rw-r--r-- root/root 4220 2015-08-26 22:55 ./usr/include/chemps2/Tensor.h
-rw-r--r-- root/root 2140 2015-08-26 22:55 ./usr/include/chemps2/TensorA.h
-rw-r--r-- root/root 2109 2015-08-26 22:55 ./usr/include/chemps2/TensorB.h
-rw-r--r-- root/root 2310 2015-08-26 22:55 ./usr/include/chemps2/TensorC.h
-rw-r--r-- root/root 2288 2015-08-26 22:55 ./usr/include/chemps2/TensorD.h
-rw-r--r-- root/root 4566 2015-08-26 22:55 ./usr/include/chemps2/TensorDiag.h
-rw-r--r-- root/root 2824 2015-08-26 22:55 ./usr/include/chemps2/TensorF0.h
-rw-r--r-- root/root 4757 2015-08-26 22:55 ./usr/include/chemps2/TensorF0Cbase.h
-rw-r--r-- root/root 2824 2015-08-26 22:55 ./usr/include/chemps2/TensorF1.h
-rw-r--r-- root/root 4839 2015-08-26 22:55 ./usr/include/chemps2/TensorF1Dbase.h
-rw-r--r-- root/root 2265 2015-08-26 22:55 ./usr/include/chemps2/TensorGYZ.h
-rw-r--r-- root/root 1953 2015-08-26 22:55 ./usr/include/chemps2/TensorK.h
-rw-r--r-- root/root 2205 2015-08-26 22:55 ./usr/include/chemps2/TensorL.h
-rw-r--r-- root/root 1953 2015-08-26 22:55 ./usr/include/chemps2/TensorM.h
-rw-r--r-- root/root 5441 2015-08-26 22:55 ./usr/include/chemps2/TensorO.h
-rw-r--r-- root/root 4936 2015-08-26 22:55 ./usr/include/chemps2/TensorQ.h
-rw-r--r-- root/root 2841 2015-08-26 22:55 ./usr/include/chemps2/TensorS0.h
-rw-r--r-- root/root 4758 2015-08-26 22:55 ./usr/include/chemps2/TensorS0Abase.h
-rw-r--r-- root/root 2499 2015-08-26 22:55 ./usr/include/chemps2/TensorS1.h
-rw-r--r-- root/root 4839 2015-08-26 22:55 ./usr/include/chemps2/TensorS1Bbase.h
-rw-r--r-- root/root 4943 2015-08-26 22:55 ./usr/include/chemps2/TensorSwap.h
-rw-r--r-- root/root 5303 2015-08-26 22:55 ./usr/include/chemps2/TensorT.h
-rw-r--r-- root/root 4055 2015-08-26 22:55 ./usr/include/chemps2/TensorX.h
-rw-r--r-- root/root 8293 2015-08-26 22:55 ./usr/include/chemps2/TwoDM.h
-rw-r--r-- root/root 5305 2015-08-26 22:55 ./usr/include/chemps2/TwoDMstorage.h
-rw-r--r-- root/root 3140 2015-08-26 22:55 ./usr/include/chemps2/TwoIndex.h
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/lib/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/lib/arm-linux-gnueabihf/
-rw-r--r-- root/root 5956896 2015-09-21 19:57 ./usr/lib/arm-linux-gnueabihf/libchemps2.a
lrwxrwxrwx root/root 0 2015-09-21 19:57 ./usr/lib/arm-linux-gnueabihf/libchemps2.so -> libchemps2.so.1
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/doc/
drwxr-xr-x root/root 0 2015-09-21 19:57 ./usr/share/doc/libchemps2-dev/
lrwxrwxrwx root/root 0 2015-09-21 19:57 ./usr/share/doc/libchemps2-dev/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 511 2015-09-03 13:38 ./usr/share/doc/libchemps2-dev/changelog.Debian.gz
-rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/libchemps2-dev/changelog.gz
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python-chemps2_1.6-1_armhf.deb
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Package: python-chemps2
Source: chemps2
Version: 1.6-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 228
Depends: python-numpy (>= 1:1.8.0), python-numpy-abi9, python (<< 2.8), python (>= 2.7~), python:any (>= 2.7.5-5~), libc6 (>= 2.4), libchemps2-1 (= 1.6-1), libgcc1 (>= 1:4.4.0), libstdc++6 (>= 5.2)
Suggests: chemps2-doc
Section: python
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Python 2 interface for libchemps2-1
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This method allows one to obtain
numerical accuracy in active spaces beyond the capabilities of
full configuration interaction (FCI).
.
For an input Hamiltonian and targeted symmetry sector, the library
performs successive DMRG sweeps according to a user-defined
convergence scheme. As output, the library returns the minimal
encountered energy as well as the second order reduced density
matrix (2-RDM) of the active space. With the latter, various
molecular properties can be calculated, as well as the gradient and
Hessian for orbital rotations or nuclear displacements. In addition,
several correlation functions can be obtained to investigate the
electronic structure in the active space.
.
This package installs the library for Python 2.
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-rw-r--r-- root/root 793 2015-09-21 19:57 ./usr/lib/python2.7/dist-packages/CheMPS2-1.6.egg-info
-rw-r--r-- root/root 205532 2015-09-21 19:57 ./usr/lib/python2.7/dist-packages/PyCheMPS2.arm-linux-gnueabihf.so
-rw-r--r-- root/root 4357 2015-08-26 22:55 ./usr/lib/python2.7/dist-packages/ReadinHamiltonianFCIDUMP.py
-rw-r--r-- root/root 4425 2015-08-26 22:55 ./usr/lib/python2.7/dist-packages/ReadinHamiltonianPsi4.py
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Build Architecture: armhf
Build-Space: 49760
Build-Time: 773
Distribution: stretch-staging
Host Architecture: armhf
Install-Time: 808
Job: chemps2_1.6-1
Machine Architecture: armhf
Package: chemps2
Package-Time: 1643
Source-Version: 1.6-1
Space: 49760
Status: successful
Version: 1.6-1
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Finished at 20150921-1958
Build needed 00:27:23, 49760k disc space