chemps2 →
1.8.3-2 →
armhf → 2016-12-19 11:01:43
sbuild (Debian sbuild) 0.71.0 (24 Aug 2016) on bm-wb-02
+==============================================================================+
| chemps2 1.8.3-2 (armhf) Mon, 19 Dec 2016 10:26:35 +0000 |
+==============================================================================+
Package: chemps2
Version: 1.8.3-2
Source Version: 1.8.3-2
Distribution: stretch-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf
I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/stretch-staging-armhf-sbuild-0eb1c365-9658-46e6-8006-cabe163c6acc' with '<<CHROOT>>'
+------------------------------------------------------------------------------+
| Update chroot |
+------------------------------------------------------------------------------+
Get:1 http://172.17.0.1/private stretch-staging InRelease [11.3 kB]
Get:2 http://172.17.0.1/private stretch-staging/main Sources [9610 kB]
Get:3 http://172.17.0.1/private stretch-staging/main armhf Packages [11.5 MB]
Fetched 21.2 MB in 23s (899 kB/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
+------------------------------------------------------------------------------+
| Fetch source files |
+------------------------------------------------------------------------------+
Check APT
---------
Checking available source versions...
Download source files with APT
------------------------------
Reading package lists...
NOTICE: 'chemps2' packaging is maintained in the 'Git' version control system at:
https://anonscm.debian.org/git/debichem/packages/chemps2.git
Please use:
git clone https://anonscm.debian.org/git/debichem/packages/chemps2.git
to retrieve the latest (possibly unreleased) updates to the package.
Need to get 1269 kB of source archives.
Get:1 http://172.17.0.1/private stretch-staging/main chemps2 1.8.3-2 (dsc) [2426 B]
Get:2 http://172.17.0.1/private stretch-staging/main chemps2 1.8.3-2 (tar) [1253 kB]
Get:3 http://172.17.0.1/private stretch-staging/main chemps2 1.8.3-2 (diff) [13.0 kB]
Fetched 1269 kB in 0s (7061 kB/s)
Download complete and in download only mode
I: NOTICE: Log filtering will replace 'build/chemps2-0m7Siu/chemps2-1.8.3' with '<<PKGBUILDDIR>>'
I: NOTICE: Log filtering will replace 'build/chemps2-0m7Siu' with '<<BUILDDIR>>'
+------------------------------------------------------------------------------+
| Install build-essential |
+------------------------------------------------------------------------------+
Setup apt archive
-----------------
Merged Build-Depends: build-essential, fakeroot
Filtered Build-Depends: build-essential, fakeroot
dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/<<BUILDDIR>>/resolver-1A7MTh/apt_archive/sbuild-build-depends-core-dummy.deb'.
dpkg-scanpackages: warning: Packages in archive but missing from override file:
dpkg-scanpackages: warning: sbuild-build-depends-core-dummy
dpkg-scanpackages: info: Wrote 1 entries to output Packages file.
gpg: keybox '/<<BUILDDIR>>/resolver-1A7MTh/gpg/pubring.kbx' created
gpg: /<<BUILDDIR>>/resolver-1A7MTh/gpg/trustdb.gpg: trustdb created
gpg: key 35506D9A48F77B2E: public key "Sbuild Signer (Sbuild Build Dependency Archive Key) <buildd-tools-devel@lists.alioth.debian.org>" imported
gpg: Total number processed: 1
gpg: imported: 1
gpg: key 35506D9A48F77B2E: "Sbuild Signer (Sbuild Build Dependency Archive Key) <buildd-tools-devel@lists.alioth.debian.org>" not changed
gpg: key 35506D9A48F77B2E: secret key imported
gpg: Total number processed: 1
gpg: unchanged: 1
gpg: secret keys read: 1
gpg: secret keys imported: 1
gpg: using "Sbuild Signer" as default secret key for signing
Ign:1 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ Release [957 B]
Get:3 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ Sources [349 B]
Get:5 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ Packages [432 B]
Fetched 2108 B in 0s (2806 B/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
Reading package lists...
Install core build dependencies (apt-based resolver)
----------------------------------------------------
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following packages were automatically installed and are no longer required:
fuse2fs gnupg-l10n libfuse2 manpages
Use 'apt autoremove' to remove them.
The following NEW packages will be installed:
sbuild-build-depends-core-dummy
0 upgraded, 1 newly installed, 0 to remove and 27 not upgraded.
Need to get 772 B of archives.
After this operation, 0 B of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [772 B]
debconf: delaying package configuration, since apt-utils is not installed
Fetched 772 B in 0s (40.2 kB/s)
Selecting previously unselected package sbuild-build-depends-core-dummy.
(Reading database ... 13928 files and directories currently installed.)
Preparing to unpack .../sbuild-build-depends-core-dummy_0.invalid.0_armhf.deb ...
Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ...
Setting up sbuild-build-depends-core-dummy (0.invalid.0) ...
W: No sandbox user '_apt' on the system, can not drop privileges
+------------------------------------------------------------------------------+
| Check architectures |
+------------------------------------------------------------------------------+
Arch check ok (armhf included in any all)
+------------------------------------------------------------------------------+
| Install package build dependencies |
+------------------------------------------------------------------------------+
Setup apt archive
-----------------
Merged Build-Depends: debhelper (>= 9), cmake (>= 2.8.11), libblas-dev, liblapack-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore
Filtered Build-Depends: debhelper (>= 9), cmake (>= 2.8.11), libblas-dev, liblapack-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore
dpkg-deb: building package 'sbuild-build-depends-chemps2-dummy' in '/<<BUILDDIR>>/resolver-1A7MTh/apt_archive/sbuild-build-depends-chemps2-dummy.deb'.
dpkg-scanpackages: warning: Packages in archive but missing from override file:
dpkg-scanpackages: warning: sbuild-build-depends-chemps2-dummy sbuild-build-depends-core-dummy
dpkg-scanpackages: info: Wrote 2 entries to output Packages file.
gpg: using "Sbuild Signer" as default secret key for signing
Ign:1 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ Release [963 B]
Get:3 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ Sources [603 B]
Get:5 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ Packages [688 B]
Fetched 2624 B in 0s (4301 B/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
Reading package lists...
Install chemps2 build dependencies (apt-based resolver)
-------------------------------------------------------
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following packages were automatically installed and are no longer required:
fuse2fs gnupg-l10n libfuse2 manpages
Use 'apt autoremove' to remove them.
The following additional packages will be installed:
autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data cpp
cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism
docutils-common file fonts-mathjax gcc gettext gettext-base gfortran
gfortran-6 groff-base hdf5-helpers intltool-debian libaec-dev libaec0
libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libbsd0
libcroco3 libcurl3 libexpat1 libexpat1-dev libffi6
libfile-stripnondeterminism-perl libgfortran-6-dev libgfortran3 libglib2.0-0
libgnutls30 libgssapi-krb5-2 libhdf5-100 libhdf5-cpp-100 libhdf5-dev
libhogweed4 libicu57 libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev
libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1
libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack-dev liblapack3
libldap-2.4-2 libldap-common liblzo2-2 libmagic-mgc libmagic1 libmpdec2
libnettle6 libnghttp2-14 libp11-kit0 libpipeline1 libpython-dev
libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal
libpython2.7-stdlib libpython3-stdlib libpython3.5-minimal
libpython3.5-stdlib librtmp1 libsasl2-2 libsasl2-modules-db libsigsegv2
libssh2-1 libssl1.0.2 libssl1.1 libsz2 libtasn1-6 libtool libunistring0
libuv1 libxml2 m4 man-db mime-support po-debconf python python-alabaster
python-all python-babel python-babel-localedata python-docutils
python-imagesize python-jinja2 python-markupsafe python-minimal python-numpy
python-pkg-resources python-pygments python-roman python-setuptools
python-six python-sphinx python-tz python2.7 python2.7-minimal python3
python3-minimal python3.5 python3.5-minimal sgml-base sphinx-common xml-core
zlib1g zlib1g-dev
Suggested packages:
autoconf-archive gnu-standards autoconf-doc wamerican | wordlist whois
vacation codeblocks eclipse ninja-build cpp-doc cython-doc dh-make
gcc-multilib manpages-dev flex bison gdb gcc-doc gettext-doc libasprintf-dev
libgettextpo-dev gfortran-doc gfortran-6-doc libgfortran3-dbg
libcoarrays-dev groff lrzip liblapack-doc-man liblapack-doc gnutls-bin
krb5-doc krb5-user libhdf5-doc fonts-mathjax-extras fonts-stix
libjs-mathjax-doc libtool-doc gcj-jdk less www-browser libmail-box-perl
python-doc python-tk fonts-linuxlibertine | ttf-linux-libertine
texlive-lang-french texlive-latex-base texlive-latex-recommended
python-jinja2-doc python-dev python-nose python-numpy-dbg python-numpy-doc
ttf-bitstream-vera python-setuptools-doc python-sphinx-rtd-theme dvipng
texlive-latex-extra texlive-fonts-recommended texlive-generic-extra
sphinx-doc python2.7-doc binfmt-support python3-doc python3-tk python3-venv
python3.5-venv python3.5-doc sgml-base-doc
Recommended packages:
python-dev curl | wget | lynx-cur ca-certificates libglib2.0-data
shared-mime-info xdg-user-dirs javascript-common krb5-locales
libsasl2-modules libltdl-dev libmail-sendmail-perl docutils-doc
libpaper-utils python-pil python-chardet
The following NEW packages will be installed:
autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data
cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism
docutils-common file fonts-mathjax gettext gettext-base gfortran gfortran-6
groff-base hdf5-helpers intltool-debian libaec-dev libaec0
libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libbsd0
libcroco3 libcurl3 libexpat1 libexpat1-dev libffi6
libfile-stripnondeterminism-perl libgfortran-6-dev libgfortran3 libglib2.0-0
libgnutls30 libgssapi-krb5-2 libhdf5-100 libhdf5-cpp-100 libhdf5-dev
libhogweed4 libicu57 libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev
libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1
libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack-dev liblapack3
libldap-2.4-2 libldap-common liblzo2-2 libmagic-mgc libmagic1 libmpdec2
libnettle6 libnghttp2-14 libp11-kit0 libpipeline1 libpython-dev
libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal
libpython2.7-stdlib libpython3-stdlib libpython3.5-minimal
libpython3.5-stdlib librtmp1 libsasl2-2 libsasl2-modules-db libsigsegv2
libssh2-1 libssl1.0.2 libssl1.1 libsz2 libtasn1-6 libtool libunistring0
libuv1 libxml2 m4 man-db mime-support po-debconf python python-alabaster
python-all python-babel python-babel-localedata python-docutils
python-imagesize python-jinja2 python-markupsafe python-minimal python-numpy
python-pkg-resources python-pygments python-roman python-setuptools
python-six python-sphinx python-tz python2.7 python2.7-minimal python3
python3-minimal python3.5 python3.5-minimal
sbuild-build-depends-chemps2-dummy sgml-base sphinx-common xml-core
zlib1g-dev
The following packages will be upgraded:
cpp gcc zlib1g
3 upgraded, 125 newly installed, 0 to remove and 24 not upgraded.
Need to get 92.6 MB/93.9 MB of archives.
After this operation, 314 MB of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-1A7MTh/apt_archive ./ sbuild-build-depends-chemps2-dummy 0.invalid.0 [890 B]
Get:2 http://172.17.0.1/private stretch-staging/main armhf groff-base armhf 1.22.3-8 [1087 kB]
Get:3 http://172.17.0.1/private stretch-staging/main armhf libbsd0 armhf 0.8.3-1 [89.0 kB]
Get:4 http://172.17.0.1/private stretch-staging/main armhf bsdmainutils armhf 9.0.12 [178 kB]
Get:5 http://172.17.0.1/private stretch-staging/main armhf libpipeline1 armhf 1.4.1-2 [23.7 kB]
Get:6 http://172.17.0.1/private stretch-staging/main armhf zlib1g armhf 1:1.2.8.dfsg-4 [81.6 kB]
Get:7 http://172.17.0.1/private stretch-staging/main armhf man-db armhf 2.7.5-2 [971 kB]
Get:8 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-minimal armhf 2.7.13~rc1-1 [389 kB]
Get:9 http://172.17.0.1/private stretch-staging/main armhf python2.7-minimal armhf 2.7.13~rc1-1 [1177 kB]
Get:10 http://172.17.0.1/private stretch-staging/main armhf python-minimal armhf 2.7.11-2 [40.3 kB]
Get:11 http://172.17.0.1/private stretch-staging/main armhf mime-support all 3.60 [36.7 kB]
Get:12 http://172.17.0.1/private stretch-staging/main armhf libexpat1 armhf 2.2.0-1 [61.7 kB]
Get:13 http://172.17.0.1/private stretch-staging/main armhf libssl1.1 armhf 1.1.0c-2 [1101 kB]
Get:14 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-stdlib armhf 2.7.13~rc1-1 [1829 kB]
Get:15 http://172.17.0.1/private stretch-staging/main armhf python2.7 armhf 2.7.13~rc1-1 [285 kB]
Get:16 http://172.17.0.1/private stretch-staging/main armhf libpython-stdlib armhf 2.7.11-2 [19.8 kB]
Get:17 http://172.17.0.1/private stretch-staging/main armhf python armhf 2.7.11-2 [153 kB]
Get:18 http://172.17.0.1/private stretch-staging/main armhf cmake-data all 3.7.1-1 [1216 kB]
Get:19 http://172.17.0.1/private stretch-staging/main armhf liblzo2-2 armhf 2.08-1.2 [47.6 kB]
Get:20 http://172.17.0.1/private stretch-staging/main armhf libicu57 armhf 57.1-5 [7427 kB]
Get:21 http://172.17.0.1/private stretch-staging/main armhf libxml2 armhf 2.9.4+dfsg1-2.1 [804 kB]
Get:22 http://172.17.0.1/private stretch-staging/main armhf libarchive13 armhf 3.2.1-5 [252 kB]
Get:23 http://172.17.0.1/private stretch-staging/main armhf libkeyutils1 armhf 1.5.9-9 [11.9 kB]
Get:24 http://172.17.0.1/private stretch-staging/main armhf libkrb5support0 armhf 1.15-1 [57.9 kB]
Get:25 http://172.17.0.1/private stretch-staging/main armhf libk5crypto3 armhf 1.15-1 [115 kB]
Get:26 http://172.17.0.1/private stretch-staging/main armhf libkrb5-3 armhf 1.15-1 [262 kB]
Get:27 http://172.17.0.1/private stretch-staging/main armhf libgssapi-krb5-2 armhf 1.15-1 [132 kB]
Get:28 http://172.17.0.1/private stretch-staging/main armhf libgnutls30 armhf 3.5.6-7 [760 kB]
Get:29 http://172.17.0.1/private stretch-staging/main armhf libsasl2-modules-db armhf 2.1.27~101-g0780600+dfsg-1 [66.7 kB]
Get:30 http://172.17.0.1/private stretch-staging/main armhf libsasl2-2 armhf 2.1.27~101-g0780600+dfsg-1 [97.9 kB]
Get:31 http://172.17.0.1/private stretch-staging/main armhf libldap-common all 2.4.44+dfsg-2+rpi1 [84.5 kB]
Get:32 http://172.17.0.1/private stretch-staging/main armhf libldap-2.4-2 armhf 2.4.44+dfsg-2+rpi1 [195 kB]
Get:33 http://172.17.0.1/private stretch-staging/main armhf libnghttp2-14 armhf 1.17.0-1 [70.1 kB]
Get:34 http://172.17.0.1/private stretch-staging/main armhf librtmp1 armhf 2.4+20151223.gitfa8646d.1-1 [54.2 kB]
Get:35 http://172.17.0.1/private stretch-staging/main armhf libssh2-1 armhf 1.7.0-1 [125 kB]
Get:36 http://172.17.0.1/private stretch-staging/main armhf libcurl3 armhf 7.50.1-1 [251 kB]
Get:37 http://172.17.0.1/private stretch-staging/main armhf libjsoncpp1 armhf 1.7.4-3 [66.2 kB]
Get:38 http://172.17.0.1/private stretch-staging/main armhf libuv1 armhf 1.9.1-3 [73.2 kB]
Get:39 http://172.17.0.1/private stretch-staging/main armhf cmake armhf 3.7.1-1 [2400 kB]
Get:40 http://172.17.0.1/private stretch-staging/main armhf libpython3.5-minimal armhf 3.5.2-8 [566 kB]
Get:41 http://172.17.0.1/private stretch-staging/main armhf python3.5-minimal armhf 3.5.2-8 [1443 kB]
Get:42 http://172.17.0.1/private stretch-staging/main armhf python3-minimal armhf 3.5.1-4 [35.3 kB]
Get:43 http://172.17.0.1/private stretch-staging/main armhf libmpdec2 armhf 2.4.2-1 [67.5 kB]
Get:44 http://172.17.0.1/private stretch-staging/main armhf libpython3.5-stdlib armhf 3.5.2-8 [2090 kB]
Get:45 http://172.17.0.1/private stretch-staging/main armhf python3.5 armhf 3.5.2-8 [227 kB]
Get:46 http://172.17.0.1/private stretch-staging/main armhf libpython3-stdlib armhf 3.5.1-4 [18.6 kB]
Get:47 http://172.17.0.1/private stretch-staging/main armhf dh-python all 2.20160818 [83.0 kB]
Get:48 http://172.17.0.1/private stretch-staging/main armhf python3 armhf 3.5.1-4 [21.7 kB]
Get:49 http://172.17.0.1/private stretch-staging/main armhf sgml-base all 1.29 [14.8 kB]
Get:50 http://172.17.0.1/private stretch-staging/main armhf libmagic-mgc armhf 1:5.29-1 [219 kB]
Get:51 http://172.17.0.1/private stretch-staging/main armhf libmagic1 armhf 1:5.29-1 [104 kB]
Get:52 http://172.17.0.1/private stretch-staging/main armhf file armhf 1:5.29-1 [63.3 kB]
Get:53 http://172.17.0.1/private stretch-staging/main armhf gettext-base armhf 0.19.8.1-1 [117 kB]
Get:54 http://172.17.0.1/private stretch-staging/main armhf libpython2.7 armhf 2.7.13~rc1-1 [915 kB]
Get:55 http://172.17.0.1/private stretch-staging/main armhf libsigsegv2 armhf 2.10-5 [28.4 kB]
Get:56 http://172.17.0.1/private stretch-staging/main armhf m4 armhf 1.4.17-5 [239 kB]
Get:57 http://172.17.0.1/private stretch-staging/main armhf autoconf all 2.69-10 [338 kB]
Get:58 http://172.17.0.1/private stretch-staging/main armhf autotools-dev all 20161112.1 [73.4 kB]
Get:59 http://172.17.0.1/private stretch-staging/main armhf automake all 1:1.15-5 [733 kB]
Get:60 http://172.17.0.1/private stretch-staging/main armhf autopoint all 0.19.8.1-1 [433 kB]
Get:61 http://172.17.0.1/private stretch-staging/main armhf cpp armhf 4:6.2.1-1 [18.5 kB]
Get:62 http://172.17.0.1/private stretch-staging/main armhf cython armhf 0.25.2~b0-2 [1698 kB]
Get:63 http://172.17.0.1/private stretch-staging/main armhf gcc armhf 4:6.2.1-1 [5188 B]
Get:64 http://172.17.0.1/private stretch-staging/main armhf libtool all 2.4.6-2 [545 kB]
Get:65 http://172.17.0.1/private stretch-staging/main armhf dh-autoreconf all 12 [15.8 kB]
Get:66 http://172.17.0.1/private stretch-staging/main armhf libarchive-zip-perl all 1.59-1 [95.5 kB]
Get:67 http://172.17.0.1/private stretch-staging/main armhf libfile-stripnondeterminism-perl all 0.028-1 [14.6 kB]
Get:68 http://172.17.0.1/private stretch-staging/main armhf dh-strip-nondeterminism all 0.028-1 [9020 B]
Get:69 http://172.17.0.1/private stretch-staging/main armhf libglib2.0-0 armhf 2.50.2-2 [2527 kB]
Get:70 http://172.17.0.1/private stretch-staging/main armhf libcroco3 armhf 0.6.11-2 [131 kB]
Get:71 http://172.17.0.1/private stretch-staging/main armhf libunistring0 armhf 0.9.6+really0.9.3-0.1 [252 kB]
Get:72 http://172.17.0.1/private stretch-staging/main armhf gettext armhf 0.19.8.1-1 [1433 kB]
Get:73 http://172.17.0.1/private stretch-staging/main armhf intltool-debian all 0.35.0+20060710.4 [26.3 kB]
Get:74 http://172.17.0.1/private stretch-staging/main armhf po-debconf all 1.0.20 [247 kB]
Get:75 http://172.17.0.1/private stretch-staging/main armhf debhelper all 10.2.2 [826 kB]
Get:76 http://172.17.0.1/private stretch-staging/main armhf xml-core all 0.17 [23.2 kB]
Get:77 http://172.17.0.1/private stretch-staging/main armhf docutils-common all 0.12+dfsg-2 [187 kB]
Get:78 http://172.17.0.1/private stretch-staging/main armhf fonts-mathjax all 2.7.0-1 [960 kB]
Get:79 http://172.17.0.1/private stretch-staging/main armhf libgfortran3 armhf 6.2.1-5+rpi1 [166 kB]
Get:80 http://172.17.0.1/private stretch-staging/main armhf libgfortran-6-dev armhf 6.2.1-5+rpi1 [199 kB]
Get:81 http://172.17.0.1/private stretch-staging/main armhf gfortran-6 armhf 6.2.1-5+rpi1 [5414 kB]
Get:82 http://172.17.0.1/private stretch-staging/main armhf gfortran armhf 4:6.2.1-1 [1340 B]
Get:83 http://172.17.0.1/private stretch-staging/main armhf hdf5-helpers armhf 1.10.0-patch1+docs-3 [35.9 kB]
Get:84 http://172.17.0.1/private stretch-staging/main armhf libaec0 armhf 0.3.2-1 [19.4 kB]
Get:85 http://172.17.0.1/private stretch-staging/main armhf libblas-common armhf 3.6.1-2 [13.9 kB]
Get:86 http://172.17.0.1/private stretch-staging/main armhf libblas3 armhf 3.6.1-2 [112 kB]
Get:87 http://172.17.0.1/private stretch-staging/main armhf libblas-dev armhf 3.6.1-2 [18.9 kB]
Get:88 http://172.17.0.1/private stretch-staging/main armhf libexpat1-dev armhf 2.2.0-1 [117 kB]
Get:89 http://172.17.0.1/private stretch-staging/main armhf libsz2 armhf 0.3.2-1 [5836 B]
Get:90 http://172.17.0.1/private stretch-staging/main armhf libhdf5-100 armhf 1.10.0-patch1+docs-3 [1203 kB]
Get:91 http://172.17.0.1/private stretch-staging/main armhf libhdf5-cpp-100 armhf 1.10.0-patch1+docs-3 [118 kB]
Get:92 http://172.17.0.1/private stretch-staging/main armhf zlib1g-dev armhf 1:1.2.8.dfsg-4 [198 kB]
Get:93 http://172.17.0.1/private stretch-staging/main armhf libjpeg62-turbo armhf 1:1.5.1-2 [109 kB]
Get:94 http://172.17.0.1/private stretch-staging/main armhf libjpeg62-turbo-dev armhf 1:1.5.1-2 [181 kB]
Get:95 http://172.17.0.1/private stretch-staging/main armhf libjpeg-dev all 1:1.5.1-2 [56.1 kB]
Get:96 http://172.17.0.1/private stretch-staging/main armhf libaec-dev armhf 0.3.2-1 [17.6 kB]
Get:97 http://172.17.0.1/private stretch-staging/main armhf libhdf5-dev armhf 1.10.0-patch1+docs-3 [2093 kB]
Get:98 http://172.17.0.1/private stretch-staging/main armhf libjs-jquery all 3.1.1-1 [154 kB]
Get:99 http://172.17.0.1/private stretch-staging/main armhf libjs-underscore all 1.8.3~dfsg-1 [63.8 kB]
Get:100 http://172.17.0.1/private stretch-staging/main armhf libjs-sphinxdoc all 1.4.8-2 [67.5 kB]
Get:101 http://172.17.0.1/private stretch-staging/main armhf liblapack3 armhf 3.6.1-2 [1392 kB]
Get:102 http://172.17.0.1/private stretch-staging/main armhf liblapack-dev armhf 3.6.1-2 [1379 kB]
Get:103 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-dev armhf 2.7.13~rc1-1 [27.6 MB]
Get:104 http://172.17.0.1/private stretch-staging/main armhf libpython-dev armhf 2.7.11-2 [19.8 kB]
Get:105 http://172.17.0.1/private stretch-staging/main armhf python-all armhf 2.7.11-2 [940 B]
Get:106 http://172.17.0.1/private stretch-staging/main armhf python-babel-localedata all 2.3.4+dfsg.1-2 [3402 kB]
Get:107 http://172.17.0.1/private stretch-staging/main armhf python-pkg-resources all 28.7.1-1 [164 kB]
Get:108 http://172.17.0.1/private stretch-staging/main armhf python-tz all 2016.7-0.2 [33.5 kB]
Get:109 http://172.17.0.1/private stretch-staging/main armhf python-babel all 2.3.4+dfsg.1-2 [82.5 kB]
Get:110 http://172.17.0.1/private stretch-staging/main armhf python-roman all 2.0.0-2 [8130 B]
Get:111 http://172.17.0.1/private stretch-staging/main armhf python-docutils all 0.12+dfsg-2 [360 kB]
Get:112 http://172.17.0.1/private stretch-staging/main armhf python-imagesize all 0.7.1-1 [3814 B]
Get:113 http://172.17.0.1/private stretch-staging/main armhf python-markupsafe armhf 0.23-3 [14.2 kB]
Get:114 http://172.17.0.1/private stretch-staging/main armhf python-jinja2 all 2.8-1 [111 kB]
Get:115 http://172.17.0.1/private stretch-staging/main armhf python-numpy armhf 1:1.11.2-1 [1606 kB]
Get:116 http://172.17.0.1/private stretch-staging/main armhf python-pygments all 2.1.3+dfsg-1 [535 kB]
Get:117 http://172.17.0.1/private stretch-staging/main armhf python-setuptools all 28.7.1-1 [218 kB]
Get:118 http://172.17.0.1/private stretch-staging/main armhf python-six all 1.10.0-3 [14.4 kB]
Get:119 http://172.17.0.1/private stretch-staging/main armhf python-alabaster all 0.7.8-1 [18.4 kB]
Get:120 http://172.17.0.1/private stretch-staging/main armhf sphinx-common all 1.4.8-2 [349 kB]
Get:121 http://172.17.0.1/private stretch-staging/main armhf python-sphinx all 1.4.8-2 [431 kB]
Get:122 http://172.17.0.1/private stretch-staging/main armhf libjs-mathjax all 2.7.0-1 [5551 kB]
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W: No sandbox user '_apt' on the system, can not drop privileges
+------------------------------------------------------------------------------+
| Build environment |
+------------------------------------------------------------------------------+
Kernel: Linux 3.19.0-trunk-armmp armhf (armv7l)
Toolchain package versions: binutils_2.27.51.20161127-1 dpkg-dev_1.18.15 g++-6_6.2.1-5+rpi1 gcc-6_6.2.1-5+rpi1 libc6-dev_2.24-7+rpi1 libstdc++-4.9-dev_4.9.3-14 libstdc++-6-dev_6.2.1-5+rpi1 libstdc++6_6.2.1-5+rpi1 linux-libc-dev_3.18.5-1~exp1+rpi19+stretch
Package versions: acl_2.2.52-3 adduser_3.115 apt_1.4~beta1 autoconf_2.69-10 automake_1:1.15-5 autopoint_0.19.8.1-1 autotools-dev_20161112.1 base-files_9.7+rpi1 base-passwd_3.5.41 bash_4.4-2 binutils_2.27.51.20161127-1 bsdmainutils_9.0.12 bsdutils_1:2.29-1 build-essential_12.2 bzip2_1.0.6-8 cmake_3.7.1-1 cmake-data_3.7.1-1 coreutils_8.25-2 cpio_2.11+dfsg-6 cpp_4:6.2.1-1 cpp-6_6.2.1-5+rpi1 cython_0.25.2~b0-2 dash_0.5.8-2.3 debconf_1.5.59 debfoster_2.7-2.1 debhelper_10.2.2 debianutils_4.8.1 dh-autoreconf_12 dh-python_2.20160818 dh-strip-nondeterminism_0.028-1 diffutils_1:3.5-1 dmsetup_2:1.02.136-1 docutils-common_0.12+dfsg-2 dpkg_1.18.15 dpkg-dev_1.18.15 e2fslibs_1.43.3-1 e2fsprogs_1.43.3-1 fakeroot_1.21-2 file_1:5.29-1 findutils_4.6.0+git+20161106-1 fonts-mathjax_2.7.0-1 fuse2fs_1.43.3-1 g++_4:6.1.1-1 g++-6_6.2.1-5+rpi1 gcc_4:6.2.1-1 gcc-4.6-base_4.6.4-5+rpi1 gcc-4.7-base_4.7.3-11+rpi1 gcc-4.8-base_4.8.5-4 gcc-4.9-base_4.9.3-14 gcc-6_6.2.1-5+rpi1 gcc-6-base_6.2.1-5+rpi1 gettext_0.19.8.1-1 gettext-base_0.19.8.1-1 gfortran_4:6.2.1-1 gfortran-6_6.2.1-5+rpi1 gnupg_2.1.16-2 gnupg-agent_2.1.16-2 gnupg-l10n_2.1.16-2 gpgv_2.1.16-2 grep_2.26-1 groff-base_1.22.3-8 gzip_1.6-5 hdf5-helpers_1.10.0-patch1+docs-3 hostname_3.18 init_1.46 init-system-helpers_1.46 initscripts_2.88dsf-59.8 insserv_1.14.0-5.4 intltool-debian_0.35.0+20060710.4 klibc-utils_2.0.4-9+rpi1 kmod_23-1 libacl1_2.2.52-3 libaec-dev_0.3.2-1 libaec0_0.3.2-1 libapparmor1_2.10.95-6 libapt-pkg4.12_1.0.9.10 libapt-pkg5.0_1.4~beta1 libarchive-zip-perl_1.59-1 libarchive13_3.2.1-5 libasan1_4.9.3-14 libasan3_6.2.1-5+rpi1 libassuan0_2.4.3-2 libatomic1_6.2.1-5+rpi1 libattr1_1:2.4.47-2 libaudit-common_1:2.6.7-1 libaudit1_1:2.6.7-1 libblas-common_3.6.1-2 libblas-dev_3.6.1-2 libblas3_3.6.1-2 libblkid1_2.29-1 libbsd0_0.8.3-1 libbz2-1.0_1.0.6-8 libc-bin_2.24-7+rpi1 libc-dev-bin_2.24-7+rpi1 libc6_2.24-7+rpi1 libc6-dev_2.24-7+rpi1 libcap-ng0_0.7.7-3 libcap2_1:2.25-1 libcap2-bin_1:2.25-1 libcc1-0_6.2.1-5+rpi1 libcomerr2_1.43.3-1 libcroco3_0.6.11-2 libcryptsetup4_2:1.7.3-2 libcurl3_7.50.1-1 libdb5.3_5.3.28-12 libdbus-1-3_1.10.14-1 libdebconfclient0_0.218 libdevmapper1.02.1_2:1.02.136-1 libdpkg-perl_1.18.15 libdrm2_2.4.74-1 libexpat1_2.2.0-1 libexpat1-dev_2.2.0-1 libfakeroot_1.21-2 libfdisk1_2.29-1 libffi6_3.2.1-6 libfile-stripnondeterminism-perl_0.028-1 libfuse2_2.9.7-1 libgc1c2_1:7.4.2-8 libgcc-4.9-dev_4.9.3-14 libgcc-6-dev_6.2.1-5+rpi1 libgcc1_1:6.2.1-5+rpi1 libgcrypt20_1.7.3-2 libgdbm3_1.8.3-14 libgfortran-6-dev_6.2.1-5+rpi1 libgfortran3_6.2.1-5+rpi1 libglib2.0-0_2.50.2-2 libgmp10_2:6.1.1+dfsg-1 libgnutls30_3.5.6-7 libgomp1_6.2.1-5+rpi1 libgpg-error0_1.25-1 libgssapi-krb5-2_1.15-1 libhdf5-100_1.10.0-patch1+docs-3 libhdf5-cpp-100_1.10.0-patch1+docs-3 libhdf5-dev_1.10.0-patch1+docs-3 libhogweed4_3.3-1 libicu57_57.1-5 libidn11_1.33-1 libip4tc0_1.6.0-4 libisl15_0.17.1-1 libjpeg-dev_1:1.5.1-2 libjpeg62-turbo_1:1.5.1-2 libjpeg62-turbo-dev_1:1.5.1-2 libjs-jquery_3.1.1-1 libjs-mathjax_2.7.0-1 libjs-sphinxdoc_1.4.8-2 libjs-underscore_1.8.3~dfsg-1 libjsoncpp1_1.7.4-3 libk5crypto3_1.15-1 libkeyutils1_1.5.9-9 libklibc_2.0.4-9+rpi1 libkmod2_23-1 libkrb5-3_1.15-1 libkrb5support0_1.15-1 libksba8_1.3.5-2 liblapack-dev_3.6.1-2 liblapack3_3.6.1-2 libldap-2.4-2_2.4.44+dfsg-2+rpi1 libldap-common_2.4.44+dfsg-2+rpi1 liblz4-1_0.0~r131-2 liblzma5_5.2.2-1.2 liblzo2-2_2.08-1.2 libmagic-mgc_1:5.29-1 libmagic1_1:5.29-1 libmount1_2.29-1 libmpc3_1.0.3-1 libmpdec2_2.4.2-1 libmpfr4_3.1.5-1 libncurses5_6.0+20160917-1 libncursesw5_6.0+20160917-1 libnettle6_3.3-1 libnghttp2-14_1.17.0-1 libnpth0_1.3-1 libp11-kit0_0.23.2-5 libpam-modules_1.1.8-3.3 libpam-modules-bin_1.1.8-3.3 libpam-runtime_1.1.8-3.3 libpam0g_1.1.8-3.3 libpcre3_2:8.39-2 libperl5.24_5.24.1~rc4-1 libpipeline1_1.4.1-2 libpng12-0_1.2.54-6 libprocps3_2:3.3.9-9 libprocps6_2:3.3.12-3 libpython-dev_2.7.11-2 libpython-stdlib_2.7.11-2 libpython2.7_2.7.13~rc1-1 libpython2.7-dev_2.7.13~rc1-1 libpython2.7-minimal_2.7.13~rc1-1 libpython2.7-stdlib_2.7.13~rc1-1 libpython3-stdlib_3.5.1-4 libpython3.5-minimal_3.5.2-8 libpython3.5-stdlib_3.5.2-8 libreadline7_7.0-1 librtmp1_2.4+20151223.gitfa8646d.1-1 libsasl2-2_2.1.27~101-g0780600+dfsg-1 libsasl2-modules-db_2.1.27~101-g0780600+dfsg-1 libseccomp2_2.3.1-2.1 libselinux1_2.6-3 libsemanage-common_2.6-1 libsemanage1_2.6-1 libsepol1_2.6-1 libsigsegv2_2.10-5 libslang2_2.3.1-5 libsmartcols1_2.29-1 libsqlite3-0_3.15.2-1 libss2_1.43.3-1 libssh2-1_1.7.0-1 libssl1.0.2_1.0.2j-4 libssl1.1_1.1.0c-2 libstdc++-4.9-dev_4.9.3-14 libstdc++-6-dev_6.2.1-5+rpi1 libstdc++6_6.2.1-5+rpi1 libsystemd0_232-6 libsz2_0.3.2-1 libtasn1-6_4.9-4 libtimedate-perl_2.3000-2 libtinfo5_6.0+20160917-1 libtool_2.4.6-2 libubsan0_6.2.1-5+rpi1 libudev1_232-6 libunistring0_0.9.6+really0.9.3-0.1 libusb-0.1-4_2:0.1.12-30 libustr-1.0-1_1.0.4-6 libuuid1_2.29-1 libuv1_1.9.1-3 libxml2_2.9.4+dfsg1-2.1 linux-libc-dev_3.18.5-1~exp1+rpi19+stretch login_1:4.2-3.3 lsb-base_9.20161125+rpi1 m4_1.4.17-5 make_4.1-9 makedev_2.3.1-93 man-db_2.7.5-2 manpages_4.08-1 mawk_1.3.3-17 mime-support_3.60 mount_2.29-1 multiarch-support_2.24-7+rpi1 nano_2.7.1-1 ncurses-base_6.0+20160917-1 ncurses-bin_6.0+20160917-1 passwd_1:4.2-3.3 patch_2.7.5-1 perl_5.24.1~rc4-1 perl-base_5.24.1~rc4-1 perl-modules-5.24_5.24.1~rc4-1 pinentry-curses_0.9.7-9 po-debconf_1.0.20 procps_2:3.3.12-3 python_2.7.11-2 python-alabaster_0.7.8-1 python-all_2.7.11-2 python-babel_2.3.4+dfsg.1-2 python-babel-localedata_2.3.4+dfsg.1-2 python-docutils_0.12+dfsg-2 python-imagesize_0.7.1-1 python-jinja2_2.8-1 python-markupsafe_0.23-3 python-minimal_2.7.11-2 python-numpy_1:1.11.2-1 python-pkg-resources_28.7.1-1 python-pygments_2.1.3+dfsg-1 python-roman_2.0.0-2 python-setuptools_28.7.1-1 python-six_1.10.0-3 python-sphinx_1.4.8-2 python-tz_2016.7-0.2 python2.7_2.7.13~rc1-1 python2.7-minimal_2.7.13~rc1-1 python3_3.5.1-4 python3-minimal_3.5.1-4 python3.5_3.5.2-8 python3.5-minimal_3.5.2-8 raspbian-archive-keyring_20120528.2 readline-common_7.0-1 sbuild-build-depends-chemps2-dummy_0.invalid.0 sbuild-build-depends-core-dummy_0.invalid.0 sed_4.2.2-8 sensible-utils_0.0.9 sgml-base_1.29 sphinx-common_1.4.8-2 startpar_0.59-3.1 systemd_232-6 systemd-sysv_232-6 sysv-rc_2.88dsf-59.8 sysvinit-utils_2.88dsf-59.8 tar_1.29b-1.1 tzdata_2016j-2 udev_232-6 util-linux_2.29-1 xml-core_0.17 xz-utils_5.2.2-1.2 zlib1g_1:1.2.8.dfsg-4 zlib1g-dev_1:1.2.8.dfsg-4
+------------------------------------------------------------------------------+
| Build |
+------------------------------------------------------------------------------+
Unpack source
-------------
gpgv: unknown type of key resource 'trustedkeys.kbx'
gpgv: keyblock resource '/sbuild-nonexistent/.gnupg/trustedkeys.kbx': General error
gpgv: Signature made Thu Dec 8 19:30:37 2016 UTC
gpgv: using RSA key AFCFEC8E669CE1C2
gpgv: Can't check signature: No public key
dpkg-source: warning: failed to verify signature on ./chemps2_1.8.3-2.dsc
dpkg-source: info: extracting chemps2 in /<<PKGBUILDDIR>>
dpkg-source: info: unpacking chemps2_1.8.3.orig.tar.gz
dpkg-source: info: unpacking chemps2_1.8.3-2.debian.tar.xz
Check disc space
----------------
Sufficient free space for build
User Environment
----------------
APT_CONFIG=/var/lib/sbuild/apt.conf
DEB_BUILD_OPTIONS=parallel=4
HOME=/sbuild-nonexistent
LC_ALL=POSIX
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-0eb1c365-9658-46e6-8006-cabe163c6acc
SCHROOT_UID=104
SCHROOT_USER=buildd
SHELL=/bin/sh
TERM=xterm
USER=buildd
dpkg-buildpackage
-----------------
dpkg-buildpackage: info: source package chemps2
dpkg-buildpackage: info: source version 1.8.3-2
dpkg-buildpackage: info: source distribution unstable
dpkg-source --before-build chemps2-1.8.3
dpkg-buildpackage: info: 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
dh_update_autotools_config -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 \
-DCMAKE_BUILD_TYPE=release
cmake .. -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_INSTALL_LIBDIR=lib/arm-linux-gnueabihf -DENABLE_XHOST=OFF -DBUILD_SPHINX=ON -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial -DCMAKE_BUILD_TYPE=release
-- The C compiler identification is GNU 6.2.1
-- The CXX compiler identification is GNU 6.2.1
-- 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
-- The CMake build type is release
-- Try OpenMP C flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Try OpenMP CXX flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Found OpenMP: -fopenmp
-- Performing Test HAS_IPO
-- Performing Test HAS_IPO - Failed
-- Performing Test HAS_FLTO
-- Performing Test HAS_FLTO - Success
-- Looking for sgemm_
-- Looking for sgemm_ - found
-- Looking for pthread.h
-- Looking for pthread.h - found
-- Looking for pthread_create
-- Looking for pthread_create - found
-- Found Threads: TRUE
-- A library with BLAS API found.
-- Looking for cheev_
-- Looking for cheev_ - found
-- A library with LAPACK API found.
-- HDF5: Using hdf5 compiler wrapper to determine C configuration
-- Found HDF5: /usr/lib/arm-linux-gnueabihf/hdf5/serial/libhdf5.so;/usr/lib/arm-linux-gnueabihf/libpthread.so;/usr/lib/arm-linux-gnueabihf/libsz.so;/usr/lib/arm-linux-gnueabihf/libz.so;/usr/lib/arm-linux-gnueabihf/libdl.so;/usr/lib/arm-linux-gnueabihf/libm.so (found version "1.10.0.1")
-- 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/CASPT2.cpp.o
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[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o
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[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o
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[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o
[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o
[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o
[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o
[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o
[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o
[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o
[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o
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[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o
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[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o
[ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o
[ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o
[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o
[ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o
[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o
[ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o
[ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o
[ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o
[ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o
[ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o
[ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o
[ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o
[ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o
[ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o
[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o
[ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o
[ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o
[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o
[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o
[ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o
[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o
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[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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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'
[ 66%] Linking CXX shared library libchemps2.so
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 66%] Built target chemps2-shared
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-bin
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 67%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o
[ 68%] Linking CXX executable chemps2
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 68%] Built target chemps2-bin
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'
[ 69%] Linking CXX static library libchemps2.a
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASPT2.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCF.cpp.o: plugin needed to handle lto object
/usr/bin/ar: 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/CASSCFpt2.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/ConjugateGradient.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/Cumulant.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/Davidson.cpp.o: plugin needed to handle lto object
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make[4]: Leaving 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 v1.4.8
making output directory...
loading pickled environment... not yet created
building [mo]: targets for 0 po files that are out of date
building [html]: targets for 13 source files that are out of date
updating environment: 13 added, 0 changed, 0 removed
reading sources... [ 7%] caspt2
reading sources... [ 15%] dmrgscf
reading sources... [ 23%] dmrgscfcalcs
reading sources... [ 30%] handson
reading sources... [ 38%] index
reading sources... [ 46%] inoutput
reading sources... [ 53%] interfaces
reading sources... [ 61%] matrixelements
reading sources... [ 69%] method
reading sources... [ 76%] publications
reading sources... [ 84%] resources
reading sources... [ 92%] sourcecode
reading sources... [100%] symmetry
looking for now-outdated files... none found
pickling environment... done
checking consistency... done
preparing documents... done
writing output... [ 7%] caspt2
writing output... [ 15%] dmrgscf
writing output... [ 23%] dmrgscfcalcs
writing output... [ 30%] handson
writing output... [ 38%] index
writing output... [ 46%] inoutput
writing output... [ 53%] interfaces
writing output... [ 61%] matrixelements
writing output... [ 69%] method
writing output... [ 76%] publications
writing output... [ 84%] resources
writing output... [ 92%] sourcecode
writing output... [100%] symmetry
generating indices... genindex
writing additional pages... search
copying images... [ 12%] Comparison.png
copying images... [ 25%] handson_orbitals.png
copying images... [ 37%] single_node_h2o.png
copying images... [ 50%] ComparisonN2.png
copying images... [ 62%] handson_comparison.png
copying images... [ 75%] ExtrapolationN2reorder.png
copying images... [ 87%] polyene_scaling.png
copying images... [100%] multi_node_h2o.png
copying static files... done
copying extra files... done
dumping search index in English (code: en) ... done
dumping object inventory... done
build succeeded.
# I know it's ugly, but sphinx splits strings at equality signs: http://svn.python.org/projects/doctools/trunk/sphinx/cmdline.py
cd build-sphinx/html && sed -i "s/MathJax.js/MathJax.js?config=TeX-AMS-MML_HTMLorMML/" *.html
# Solving the complaints from lintian about jquery.js & underscore.js
cd build-sphinx/html && sed -i "s/_static\/jquery.js/\/usr\/share\/javascript\/jquery\/jquery.js/" *.html
cd build-sphinx/html && sed -i "s/_static\/underscore.js/\/usr\/share\/javascript\/underscore\/underscore.js/" *.html
cd build-sphinx/html/_static && rm jquery*.js underscore*.js
cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py build_ext -L ../obj-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 -fdebug-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python2.7/dist-packages/numpy/core/include -I/usr/include/python2.7 -c PyCheMPS2.cpp -o build/temp.linux-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:1777:0,
from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarrayobject.h:18,
from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/arrayobject.h:4,
from PyCheMPS2.cpp:449:
/usr/lib/python2.7/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: #warning "Using deprecated NumPy API, disable it by " "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
#warning "Using deprecated NumPy API, disable it by " \
^~~~~~~
creating build/lib.linux-armv7l-2.7
arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -Wdate-time -D_FORTIFY_SOURCE=2 -g -fdebug-prefix-map=/build/python2.7-yv24eM/python2.7-2.7.13~rc1=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -g -O2 -fdebug-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -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 8.70 sec
Start 5: test5
2/3 Test #5: test5 ............................ Passed 17.14 sec
Start 8: test8
3/3 Test #8: test8 ............................ Passed 16.15 sec
100% tests passed, 0 tests failed out of 3
Total Test time (real) = 42.00 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
CheMPS2::Hamiltonian : Reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP
CheMPS2::Hamiltonian : Finished reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 9
Energy at sites (8, 9) is -101.104937061994
Stats: nIt(DAVIDSON) = 19
Energy at sites (7, 8) is -106.852796405549
Stats: nIt(DAVIDSON) = 57
Energy at sites (6, 7) is -106.875883477403
Stats: nIt(DAVIDSON) = 63
Energy at sites (5, 6) is -106.905505567843
Stats: nIt(DAVIDSON) = 42
Energy at sites (4, 5) is -107.631524332917
Stats: nIt(DAVIDSON) = 24
Energy at sites (3, 4) is -107.648022139087
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648022139087
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648022139087
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 3.648898 seconds
*** |--> S.join = 0.002557 seconds
*** |--> S.solve = 3.197105 seconds
*** |--> S.split = 0.01755 seconds
*** |--> Tensor update = 0.427924 seconds
*** |--> create = 0.099876 seconds
*** |--> destroy = 0.004976 seconds
*** |--> disk write = 0.142631 seconds
*** |--> disk read = 0.117378 seconds
*** |--> calc = 0.062832 seconds
*** Disk write bandwidth = 4.10822603910506 MB/s
*** Disk read bandwidth = 5.00897979827326 MB/s
*** Minimum energy = -107.648022139087
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648022139087
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648022139087
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648022139087
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648022139087
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.648043505612
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.648250584107
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250584107
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250584107
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.850603 seconds
*** |--> S.join = 0.006429 seconds
*** |--> S.solve = 0.36312 seconds
*** |--> S.split = 0.01867 seconds
*** |--> Tensor update = 0.454672 seconds
*** |--> create = 0.127295 seconds
*** |--> destroy = 0.005165 seconds
*** |--> disk write = 0.157729 seconds
*** |--> disk read = 0.129818 seconds
*** |--> calc = 0.034413 seconds
*** Disk write bandwidth = 3.727558221771 MB/s
*** Disk read bandwidth = 4.51370679091955 MB/s
*** Minimum energy = -107.648250584107
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.648250584107
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.648250584107
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250584107
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250584107
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250584107
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.648250871371
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.648250972595
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972595
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.657276 seconds
*** |--> S.join = 0.003128 seconds
*** |--> S.solve = 0.196275 seconds
*** |--> S.split = 0.010159 seconds
*** |--> Tensor update = 0.444098 seconds
*** |--> create = 0.098224 seconds
*** |--> destroy = 0.009528 seconds
*** |--> disk write = 0.178681 seconds
*** |--> disk read = 0.121896 seconds
*** |--> calc = 0.035509 seconds
*** Disk write bandwidth = 3.27936595487821 MB/s
*** Disk read bandwidth = 4.82332505383047 MB/s
*** Minimum energy = -107.648250972595
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250972595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972595
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972595
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250972595
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.648250972667
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.648250974002
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974002
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974002
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.559938 seconds
*** |--> S.join = 0.006692 seconds
*** |--> S.solve = 0.146325 seconds
*** |--> S.split = 0.01736 seconds
*** |--> Tensor update = 0.388941 seconds
*** |--> create = 0.098736 seconds
*** |--> destroy = 0.005096 seconds
*** |--> disk write = 0.149397 seconds
*** |--> disk read = 0.096211 seconds
*** |--> calc = 0.039277 seconds
*** Disk write bandwidth = 3.93544737017289 MB/s
*** Disk read bandwidth = 6.09036792241629 MB/s
*** Minimum energy = -107.648250974002
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.8989460904304e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** 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) = 6
Energy at sites (8, 9) is -107.648250974002
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.648250974003
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.648250974004
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250974004
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.648250974007
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974013
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.058131 seconds
*** |--> S.join = 0.004962 seconds
*** |--> S.solve = 0.651415 seconds
*** |--> S.split = 0.01079 seconds
*** |--> Tensor update = 0.390382 seconds
*** |--> create = 0.095726 seconds
*** |--> destroy = 0.005078 seconds
*** |--> disk write = 0.147516 seconds
*** |--> disk read = 0.09703 seconds
*** |--> calc = 0.044815 seconds
*** Disk write bandwidth = 3.97218192049401 MB/s
*** Disk read bandwidth = 6.05940462497907 MB/s
*** Minimum energy = -107.648250974014
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250974014
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.648250974013
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974013
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.710452 seconds
*** |--> S.join = 0.004502 seconds
*** |--> S.solve = 0.314462 seconds
*** |--> S.split = 0.00991800000000001 seconds
*** |--> Tensor update = 0.380978 seconds
*** |--> create = 0.096585 seconds
*** |--> destroy = 0.005181 seconds
*** |--> disk write = 0.149177 seconds
*** |--> disk read = 0.096363 seconds
*** |--> calc = 0.033448 seconds
*** Disk write bandwidth = 3.94125120334716 MB/s
*** Disk read bandwidth = 6.08076116542235 MB/s
*** Minimum energy = -107.648250974014
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.15960574476048e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.648250974014
*** Minimum energy encountered during the last sweep = -107.648250974014
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013
NOON of irrep Ag = [ 1.99999530444285 , 1.99487994124574 , 1.98267954073709 ].
NOON of irrep B2g = [ 0.0748715524413142 ].
NOON of irrep B3g = [ 0.0748715522230531 ].
NOON of irrep B1u = [ 1.99999681839217 , 1.98658242707107 , 0.0188079712308536 ].
NOON of irrep B2u = [ 1.93365744607539 ].
NOON of irrep B3u = [ 1.93365744614045 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00013100942903275 , 0.0515866780731907 , 0.0764971080823797 , 0.257716819176435 , 0.257716818843499 , 8.47155301635528e-05 , 0.0462800405808555 , 0.100736303394379 , 0.241506019861478 , 0.24150601966627 ].
Idistance(0) = 1.30939331223237
Idistance(1) = 5.42402999516853
Idistance(2) = 26.7355488036346
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.034892 seconds
*** |--> MPS gauge change = 0.02804 seconds
*** |--> Diagram calc = 0.0597220000000001 seconds
*** |--> Tensor update = 0.943464 seconds
*** |--> create = 0.226811 seconds
*** |--> destroy = 0.012891 seconds
*** |--> disk write = 0.362509 seconds
*** |--> disk read = 0.231495 seconds
*** |--> calc = 0.108711 seconds
*** Disk write bandwidth = 3.28440963329962 MB/s
*** Disk read bandwidth = 5.14321281996506 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1824
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0625 MB memory.
FCI::matvec : Wall time = 0.024097 seconds
FCI::matvec : Wall time = 0.023944 seconds
FCI::matvec : Wall time = 0.023959 seconds
FCI::matvec : Wall time = 0.024065 seconds
FCI::matvec : Wall time = 0.023914 seconds
FCI::matvec : Wall time = 0.023891 seconds
FCI::matvec : Wall time = 0.023969 seconds
FCI::matvec : Wall time = 0.023957 seconds
FCI::matvec : Wall time = 0.023992 seconds
FCI::matvec : Wall time = 0.023967 seconds
FCI::matvec : Wall time = 0.024036 seconds
FCI::matvec : Wall time = 0.023993 seconds
FCI::matvec : Wall time = 0.024022 seconds
FCI::matvec : Wall time = 0.025772 seconds
FCI::matvec : Wall time = 0.064139 seconds
FCI::matvec : Wall time = 0.044576 seconds
FCI::matvec : Wall time = 0.032569 seconds
FCI::matvec : Wall time = 0.064161 seconds
FCI::GSDavidson : Converged ground state energy = -107.648250974013
FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.09208528450249e-20 and intended S(S+1) = 0
('RMS difference FCI and DMRG determinant coefficients =', 1.3305935747122649e-08)
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 11
Energy at sites (8, 9) is -104.197433004351
Stats: nIt(DAVIDSON) = 27
Energy at sites (7, 8) is -106.330102960116
Stats: nIt(DAVIDSON) = 31
Energy at sites (6, 7) is -106.376055491178
Stats: nIt(DAVIDSON) = 63
Energy at sites (5, 6) is -107.318030313954
Stats: nIt(DAVIDSON) = 45
Energy at sites (4, 5) is -107.325629741066
Stats: nIt(DAVIDSON) = 22
Energy at sites (3, 4) is -107.328763084392
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.328764848953
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764848953
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 4.822373 seconds
*** |--> S.join = 0.00528 seconds
*** |--> S.solve = 4.390102 seconds
*** |--> S.split = 0.011632 seconds
*** |--> Tensor update = 0.411696 seconds
*** |--> create = 0.109724 seconds
*** |--> destroy = 0.004994 seconds
*** |--> disk write = 0.14408 seconds
*** |--> disk read = 0.099424 seconds
*** |--> calc = 0.053233 seconds
*** Disk write bandwidth = 5.86358789997853 MB/s
*** Disk read bandwidth = 8.46075175235922 MB/s
*** Minimum energy = -107.328764848953
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328764848953
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764848953
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328764848953
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.328764851277
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328766896116
Stats: nIt(DAVIDSON) = 7
Energy at sites (5, 6) is -107.328768892783
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768892783
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768892783
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.976623 seconds
*** |--> S.join = 0.005529 seconds
*** |--> S.solve = 0.489876 seconds
*** |--> S.split = 0.020543 seconds
*** |--> Tensor update = 0.456969 seconds
*** |--> create = 0.124595 seconds
*** |--> destroy = 0.00789 seconds
*** |--> disk write = 0.157616 seconds
*** |--> disk read = 0.112634 seconds
*** |--> calc = 0.053962 seconds
*** Disk write bandwidth = 5.33703292956656 MB/s
*** Disk read bandwidth = 7.50062809301726 MB/s
*** Minimum energy = -107.328768892783
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.328768892783
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.328768892783
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768892783
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768892783
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768892783
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.328768893172
Stats: nIt(DAVIDSON) = 3
Energy at sites (3, 4) is -107.328768897981
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.328768897997
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897997
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.69484 seconds
*** |--> S.join = 0.018768 seconds
*** |--> S.solve = 0.240039 seconds
*** |--> S.split = 0.012128 seconds
*** |--> Tensor update = 0.423319 seconds
*** |--> create = 0.109998 seconds
*** |--> destroy = 0.006111 seconds
*** |--> disk write = 0.157134 seconds
*** |--> disk read = 0.09845 seconds
*** |--> calc = 0.051391 seconds
*** Disk write bandwidth = 5.37646686668007 MB/s
*** Disk read bandwidth = 8.544456904282 MB/s
*** Minimum energy = -107.328768897997
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768897997
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897997
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897997
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768897997
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.328768898019
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898019
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898019
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898019
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.707497 seconds
*** |--> S.join = 0.015965 seconds
*** |--> S.solve = 0.176889 seconds
*** |--> S.split = 0.012019 seconds
*** |--> Tensor update = 0.499297 seconds
*** |--> create = 0.134152 seconds
*** |--> destroy = 0.0075 seconds
*** |--> disk write = 0.154422 seconds
*** |--> disk read = 0.13524 seconds
*** |--> calc = 0.067682 seconds
*** Disk write bandwidth = 5.4474218843595 MB/s
*** Disk read bandwidth = 6.24686294460889 MB/s
*** Minimum energy = -107.328768898019
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.23604626323504e-09
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.328768898019
*** Minimum energy encountered during the last sweep = -107.328768898019
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -107.328768898021
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -107.328768898026
Stats: nIt(DAVIDSON) = 13
Energy at sites (6, 7) is -107.328768898031
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.328768898032
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.328768898031
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.328768898032
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898033
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.711439 seconds
*** |--> S.join = 0.003627 seconds
*** |--> S.solve = 1.269363 seconds
*** |--> S.split = 0.013445 seconds
*** |--> Tensor update = 0.421389 seconds
*** |--> create = 0.109527 seconds
*** |--> destroy = 0.005262 seconds
*** |--> disk write = 0.148765 seconds
*** |--> disk read = 0.098992 seconds
*** |--> calc = 0.058599 seconds
*** Disk write bandwidth = 5.6789281392055 MB/s
*** Disk read bandwidth = 8.49767438001619 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768898033
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -107.328768898033
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328768898032
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898033
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 1.018732 seconds
*** |--> S.join = 0.004007 seconds
*** |--> S.solve = 0.568347 seconds
*** |--> S.split = 0.011492 seconds
*** |--> Tensor update = 0.431293 seconds
*** |--> create = 0.112837 seconds
*** |--> destroy = 0.005324 seconds
*** |--> disk write = 0.150026 seconds
*** |--> disk read = 0.098176 seconds
*** |--> calc = 0.064672 seconds
*** Disk write bandwidth = 5.60703999457802 MB/s
*** Disk read bandwidth = 8.60521659701868 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.37845290737459e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.328768898033
*** Minimum energy encountered during the last sweep = -107.328768898033
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032
NOON of irrep Ag = [ 1.99999672241042 , 1.99571463015127 , 1.98497373604629 ].
NOON of irrep B2g = [ 0.538989905133985 ].
NOON of irrep B3g = [ 0.538989904942625 ].
NOON of irrep B1u = [ 1.99999702947249 , 1.99149890562659 , 0.0194690668349887 ].
NOON of irrep B2u = [ 1.46518504978699 ].
NOON of irrep B3u = [ 1.46518504959436 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862742088745 , 0.058708937413952 , 0.0554792809689113 , 1.11957630008474 , 1.11957629998078 , 8.52797481873809e-05 , 0.0421718621272665 , 0.105000352887065 , 1.11261995847236 , 1.11261995857814 ].
Idistance(0) = 4.6018810818418
Idistance(1) = 17.7825010795836
Idistance(2) = 85.694770821399
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.151615 seconds
*** |--> MPS gauge change = 0.027453 seconds
*** |--> Diagram calc = 0.056832 seconds
*** |--> Tensor update = 1.058878 seconds
*** |--> create = 0.277463 seconds
*** |--> destroy = 0.015783 seconds
*** |--> disk write = 0.377636 seconds
*** |--> disk read = 0.242429 seconds
*** |--> calc = 0.144399 seconds
*** Disk write bandwidth = 4.53596593217203 MB/s
*** Disk read bandwidth = 7.06575546144116 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1160
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0751953125 MB memory.
FCI::matvec : Wall time = 0.031399 seconds
FCI::matvec : Wall time = 0.016907 seconds
FCI::matvec : Wall time = 0.016913 seconds
FCI::matvec : Wall time = 0.016903 seconds
FCI::matvec : Wall time = 0.017027 seconds
FCI::matvec : Wall time = 0.016955 seconds
FCI::matvec : Wall time = 0.016987 seconds
FCI::matvec : Wall time = 0.017064 seconds
FCI::matvec : Wall time = 0.016921 seconds
FCI::matvec : Wall time = 0.017005 seconds
FCI::matvec : Wall time = 0.016985 seconds
FCI::matvec : Wall time = 0.016982 seconds
FCI::matvec : Wall time = 0.016954 seconds
FCI::matvec : Wall time = 0.016959 seconds
FCI::matvec : Wall time = 0.016992 seconds
FCI::matvec : Wall time = 0.017005 seconds
FCI::matvec : Wall time = 0.016985 seconds
FCI::GSDavidson : Converged ground state energy = -107.328768898033
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
('RMS difference FCI and DMRG determinant coefficients =', 1.575169867331473e-09)
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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 -100.197026251067
Stats: nIt(DAVIDSON) = 15
Energy at sites (7, 8) is -106.984715050785
Stats: nIt(DAVIDSON) = 23
Energy at sites (6, 7) is -106.994488603685
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -106.994871597188
Stats: nIt(DAVIDSON) = 18
Energy at sites (4, 5) is -106.997082100402
Stats: nIt(DAVIDSON) = 23
Energy at sites (3, 4) is -106.999071940347
Stats: nIt(DAVIDSON) = 15
Energy at sites (2, 3) is -107.007871916348
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007871916348
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 1.298786 seconds
*** |--> S.join = 0.00211 seconds
*** |--> S.solve = 0.924247 seconds
*** |--> S.split = 0.012167 seconds
*** |--> Tensor update = 0.356629 seconds
*** |--> create = 0.087788 seconds
*** |--> destroy = 0.005225 seconds
*** |--> disk write = 0.138885 seconds
*** |--> disk read = 0.093616 seconds
*** |--> calc = 0.030892 seconds
*** Disk write bandwidth = 1.40612457656627 MB/s
*** Disk read bandwidth = 2.07449835277056 MB/s
*** Minimum energy = -107.007871916348
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007871916348
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007871916348
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007871916348
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.007872501878
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.007874764089
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.007920334049
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920334049
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920334049
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.712973 seconds
*** |--> S.join = 0.005207 seconds
*** |--> S.solve = 0.308278 seconds
*** |--> S.split = 0.017488 seconds
*** |--> Tensor update = 0.378642 seconds
*** |--> create = 0.09227 seconds
*** |--> destroy = 0.005487 seconds
*** |--> disk write = 0.151058 seconds
*** |--> disk read = 0.097922 seconds
*** |--> calc = 0.031655 seconds
*** Disk write bandwidth = 1.28564020305425 MB/s
*** Disk read bandwidth = 1.99433847160399 MB/s
*** Minimum energy = -107.007920334049
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.007920334049
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007920334049
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920334049
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920334049
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920334048
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.007920358792
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.007920412242
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -107.007920596802
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596802
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.47101 seconds
*** |--> S.join = 0.002115 seconds
*** |--> S.solve = 0.106242 seconds
*** |--> S.split = 0.005828 seconds
*** |--> Tensor update = 0.35316 seconds
*** |--> create = 0.087945 seconds
*** |--> destroy = 0.00519 seconds
*** |--> disk write = 0.144357 seconds
*** |--> disk read = 0.094081 seconds
*** |--> calc = 0.021366 seconds
*** Disk write bandwidth = 1.35282398370987 MB/s
*** Disk read bandwidth = 2.06424504196351 MB/s
*** Minimum energy = -107.007920596802
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920596802
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596802
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920596802
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.007920596907
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.007920596943
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.007920599386
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599385
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599385
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.51313 seconds
*** |--> S.join = 0.007421 seconds
*** |--> S.solve = 0.108277 seconds
*** |--> S.split = 0.008629 seconds
*** |--> Tensor update = 0.385083 seconds
*** |--> create = 0.089212 seconds
*** |--> destroy = 0.005253 seconds
*** |--> disk write = 0.146409 seconds
*** |--> disk read = 0.093519 seconds
*** |--> calc = 0.050463 seconds
*** Disk write bandwidth = 1.32646379521046 MB/s
*** Disk read bandwidth = 2.08823460276956 MB/s
*** Minimum energy = -107.007920599386
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.65336865368226e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.007920599386
*** Minimum energy encountered during the last sweep = -107.007920599386
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.007920599401
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.007920599403
Stats: nIt(DAVIDSON) = 14
Energy at sites (6, 7) is -107.007920599405
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -107.007920599405
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -107.007920599406
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.007920599406
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.007920599438
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599438
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.925093 seconds
*** |--> S.join = 0.003831 seconds
*** |--> S.solve = 0.559031 seconds
*** |--> S.split = 0.00582 seconds
*** |--> Tensor update = 0.353338 seconds
*** |--> create = 0.087799 seconds
*** |--> destroy = 0.005177 seconds
*** |--> disk write = 0.144729 seconds
*** |--> disk read = 0.093951 seconds
*** |--> calc = 0.021414 seconds
*** Disk write bandwidth = 1.34934679170316 MB/s
*** Disk read bandwidth = 2.06710133785664 MB/s
*** Minimum energy = -107.007920599438
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920599438
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599438
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920599438
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -107.007920599438
Stats: nIt(DAVIDSON) = 11
Energy at sites (4, 5) is -107.007920599438
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.007920599439
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.007920599439
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599439
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.874191 seconds
*** |--> S.join = 0.009451 seconds
*** |--> S.solve = 0.450976 seconds
*** |--> S.split = 0.005688 seconds
*** |--> Tensor update = 0.404447 seconds
*** |--> create = 0.122584 seconds
*** |--> destroy = 0.005664 seconds
*** |--> disk write = 0.151134 seconds
*** |--> disk read = 0.093564 seconds
*** |--> calc = 0.031255 seconds
*** Disk write bandwidth = 1.28499369958427 MB/s
*** Disk read bandwidth = 2.08723025753929 MB/s
*** Minimum energy = -107.007920599439
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.31770183442859e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.007920599439
*** Minimum energy encountered during the last sweep = -107.007920599439
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439
NOON of irrep Ag = [ 1.99999761728614 , 1.99817458673793 , 1.99099529647229 ].
NOON of irrep B2g = [ 0.999157310934678 ].
NOON of irrep B3g = [ 0.999157311032322 ].
NOON of irrep B1u = [ 1.99999763398149 , 1.99356772578668 , 0.0151843205356356 ].
NOON of irrep B2u = [ 1.00188409856273 ].
NOON of irrep B3u = [ 1.00188409867008 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624923400604e-05 , 0.043979511040159 , 0.019122706263127 , 0.710073263526522 , 0.710073262870098 , 0.000114194275542513 , 0.0501988280341601 , 0.0847680577360024 , 0.709393186067453 , 0.709393186693263 ].
Idistance(0) = 1.96740724150302
Idistance(1) = 7.24682977196049
Idistance(2) = 34.6048710057352
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.974159 seconds
*** |--> MPS gauge change = 0.01557 seconds
*** |--> Diagram calc = 0.036641 seconds
*** |--> Tensor update = 0.914623 seconds
*** |--> create = 0.219863 seconds
*** |--> destroy = 0.012785 seconds
*** |--> disk write = 0.353171 seconds
*** |--> disk read = 0.227412 seconds
*** |--> calc = 0.100347 seconds
*** Disk write bandwidth = 1.15865282167447 MB/s
*** Disk read bandwidth = 1.79938866763229 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory.
FCI::matvec : Wall time = 0.006843 seconds
FCI::matvec : Wall time = 0.00674 seconds
FCI::matvec : Wall time = 0.00672 seconds
FCI::matvec : Wall time = 0.006715 seconds
FCI::matvec : Wall time = 0.006679 seconds
FCI::matvec : Wall time = 0.006671 seconds
FCI::matvec : Wall time = 0.00669 seconds
FCI::matvec : Wall time = 0.006692 seconds
FCI::matvec : Wall time = 0.006689 seconds
FCI::matvec : Wall time = 0.006701 seconds
FCI::matvec : Wall time = 0.006691 seconds
FCI::matvec : Wall time = 0.006694 seconds
FCI::GSDavidson : Converged ground state energy = -107.007920599438
FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000002 and intended S(S+1) = 6
('RMS difference FCI and DMRG determinant coefficients =', 5.1617909442527367e-08)
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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) = 16
Energy at sites (8, 9) is -99.2871054930182
Stats: nIt(DAVIDSON) = 18
Energy at sites (7, 8) is -105.791515724127
Stats: nIt(DAVIDSON) = 57
Energy at sites (6, 7) is -105.903687610716
Stats: nIt(DAVIDSON) = 49
Energy at sites (5, 6) is -105.905487049969
Stats: nIt(DAVIDSON) = 40
Energy at sites (4, 5) is -106.120540260185
Stats: nIt(DAVIDSON) = 46
Energy at sites (3, 4) is -106.177952473917
Stats: nIt(DAVIDSON) = 5
Energy at sites (2, 3) is -106.177952630515
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.177952630515
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 2.485006 seconds
*** |--> S.join = 0.003852 seconds
*** |--> S.solve = 2.116619 seconds
*** |--> S.split = 0.009396 seconds
*** |--> Tensor update = 0.351485 seconds
*** |--> create = 0.088609 seconds
*** |--> destroy = 0.005162 seconds
*** |--> disk write = 0.139374 seconds
*** |--> disk read = 0.094194 seconds
*** |--> calc = 0.023926 seconds
*** Disk write bandwidth = 1.44832264631719 MB/s
*** Disk read bandwidth = 2.13150674654835 MB/s
*** Minimum energy = -106.177952630515
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.177952630515
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.177952630515
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.177952630515
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -106.177952630528
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -106.178092435769
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.191418687253
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.191418688959
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191418688959
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.689001 seconds
*** |--> S.join = 0.005453 seconds
*** |--> S.solve = 0.300693 seconds
*** |--> S.split = 0.009669 seconds
*** |--> Tensor update = 0.369559 seconds
*** |--> create = 0.090365 seconds
*** |--> destroy = 0.005382 seconds
*** |--> disk write = 0.14697 seconds
*** |--> disk read = 0.094248 seconds
*** |--> calc = 0.032355 seconds
*** Disk write bandwidth = 1.36609611814911 MB/s
*** Disk read bandwidth = 2.1417804145214 MB/s
*** Minimum energy = -106.191418688959
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 106.191418688959
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191418688959
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191418688959
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191418688959
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191418688959
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -106.191460221062
Stats: nIt(DAVIDSON) = 8
Energy at sites (3, 4) is -106.191465811769
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -106.191465814168
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191465814168
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.597449 seconds
*** |--> S.join = 0.002373 seconds
*** |--> S.solve = 0.213551 seconds
*** |--> S.split = 0.009371 seconds
*** |--> Tensor update = 0.368522 seconds
*** |--> create = 0.08857 seconds
*** |--> destroy = 0.005368 seconds
*** |--> disk write = 0.144713 seconds
*** |--> disk read = 0.094245 seconds
*** |--> calc = 0.035388 seconds
*** Disk write bandwidth = 1.39488864516534 MB/s
*** Disk read bandwidth = 2.13035329709136 MB/s
*** Minimum energy = -106.191465814168
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191465814168
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191465814168
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191465814168
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191465814168
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -106.191465815584
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -106.19146652833
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.19146652833
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146652833
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.532933 seconds
*** |--> S.join = 0.002952 seconds
*** |--> S.solve = 0.151351 seconds
*** |--> S.split = 0.013754 seconds
*** |--> Tensor update = 0.361308 seconds
*** |--> create = 0.090179 seconds
*** |--> destroy = 0.005419 seconds
*** |--> disk write = 0.146395 seconds
*** |--> disk read = 0.094212 seconds
*** |--> calc = 0.024876 seconds
*** Disk write bandwidth = 1.37146177454404 MB/s
*** Disk read bandwidth = 2.14259882507337 MB/s
*** Minimum energy = -106.19146652833
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.78393711489389e-05
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -106.19146652833
*** Minimum energy encountered during the last sweep = -106.19146652833
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 9
Energy at sites (8, 9) is -106.191466528353
Stats: nIt(DAVIDSON) = 11
Energy at sites (7, 8) is -106.19146652837
Stats: nIt(DAVIDSON) = 11
Energy at sites (6, 7) is -106.191466528372
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -106.191466528377
Stats: nIt(DAVIDSON) = 17
Energy at sites (4, 5) is -106.191466569234
Stats: nIt(DAVIDSON) = 17
Energy at sites (3, 4) is -106.191466572591
Stats: nIt(DAVIDSON) = 7
Energy at sites (2, 3) is -106.191466572592
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466572592
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.015104 seconds
*** |--> S.join = 0.004641 seconds
*** |--> S.solve = 0.645512 seconds
*** |--> S.split = 0.005813 seconds
*** |--> Tensor update = 0.355524 seconds
*** |--> create = 0.088629 seconds
*** |--> destroy = 0.005422 seconds
*** |--> disk write = 0.144936 seconds
*** |--> disk read = 0.094548 seconds
*** |--> calc = 0.021756 seconds
*** Disk write bandwidth = 1.39274245534451 MB/s
*** Disk read bandwidth = 2.12352610826644 MB/s
*** Minimum energy = -106.191466572592
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466572592
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466572592
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466572592
Stats: nIt(DAVIDSON) = 3
Energy at sites (3, 4) is -106.191466572592
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -106.191466572593
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -106.191466575708
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -106.191466575708
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575708
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.791828 seconds
*** |--> S.join = 0.00601 seconds
*** |--> S.solve = 0.41067 seconds
*** |--> S.split = 0.013449 seconds
*** |--> Tensor update = 0.3583 seconds
*** |--> create = 0.090233 seconds
*** |--> destroy = 0.005269 seconds
*** |--> disk write = 0.146463 seconds
*** |--> disk read = 0.093668 seconds
*** |--> calc = 0.022423 seconds
*** Disk write bandwidth = 1.37082503078849 MB/s
*** Disk read bandwidth = 2.15504249591976 MB/s
*** Minimum energy = -106.191466575708
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.73781085474911e-08
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575708
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575708
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575708
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -106.191466575709
Stats: nIt(DAVIDSON) = 15
Energy at sites (4, 5) is -106.19146657592
Stats: nIt(DAVIDSON) = 15
Energy at sites (3, 4) is -106.191466575932
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.191466575933
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575933
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 0.688886 seconds
*** |--> S.join = 0.004381 seconds
*** |--> S.solve = 0.316835 seconds
*** |--> S.split = 0.005888 seconds
*** |--> Tensor update = 0.358107 seconds
*** |--> create = 0.088649 seconds
*** |--> destroy = 0.005677 seconds
*** |--> disk write = 0.144892 seconds
*** |--> disk read = 0.094809 seconds
*** |--> calc = 0.023833 seconds
*** Disk write bandwidth = 1.39316539565892 MB/s
*** Disk read bandwidth = 2.11768024643626 MB/s
*** Minimum energy = -106.191466575933
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466575933
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575933
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575933
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -106.191466575933
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -106.191466575933
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -106.191466575949
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575949
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 0.694005 seconds
*** |--> S.join = 0.002129 seconds
*** |--> S.solve = 0.323809 seconds
*** |--> S.split = 0.005893 seconds
*** |--> Tensor update = 0.35861 seconds
*** |--> create = 0.090184 seconds
*** |--> destroy = 0.005546 seconds
*** |--> disk write = 0.146812 seconds
*** |--> disk read = 0.09358 seconds
*** |--> calc = 0.022252 seconds
*** Disk write bandwidth = 1.36756631940424 MB/s
*** Disk read bandwidth = 2.15706903727092 MB/s
*** Minimum energy = -106.191466575949
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.40760300584952e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466575949
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -106.19146657595
Stats: nIt(DAVIDSON) = 11
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657595
******************************************************************
*** Information on left sweep 2 of instruction 1:
*** Elapsed wall time = 0.67524 seconds
*** |--> S.join = 0.002201 seconds
*** |--> S.solve = 0.230236 seconds
*** |--> S.split = 0.010232 seconds
*** |--> Tensor update = 0.428884 seconds
*** |--> create = 0.107193 seconds
*** |--> destroy = 0.005416 seconds
*** |--> disk write = 0.169423 seconds
*** |--> disk read = 0.119243 seconds
*** |--> calc = 0.027367 seconds
*** Disk write bandwidth = 1.19144697300728 MB/s
*** Disk read bandwidth = 1.68374786347521 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 5
Energy at sites (4, 5) is -106.19146657595
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.19146657595
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146657595
******************************************************************
*** Information on right sweep 2 of instruction 1:
*** Elapsed wall time = 0.609815 seconds
*** |--> S.join = 0.005994 seconds
*** |--> S.solve = 0.229538 seconds
*** |--> S.split = 0.005748 seconds
*** |--> Tensor update = 0.364917 seconds
*** |--> create = 0.089923 seconds
*** |--> destroy = 0.007396 seconds
*** |--> disk write = 0.151436 seconds
*** |--> disk read = 0.0935670000000001 seconds
*** |--> calc = 0.022358 seconds
*** Disk write bandwidth = 1.32580856919342 MB/s
*** Disk read bandwidth = 2.15736873585572 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.19371179607697e-12
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -106.19146657595
*** Minimum energy encountered during the last sweep = -106.19146657595
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595
NOON of irrep Ag = [ 1.99999399659706 , 1.99366325649711 , 1.8719004916134 ].
NOON of irrep B2g = [ 0.584814300838292 ].
NOON of irrep B3g = [ 0.584814263996971 ].
NOON of irrep B1u = [ 1.99999783389178 , 1.1209642916223 , 1.00219410742094 ].
NOON of irrep B2u = [ 1.42082874913449 ].
NOON of irrep B3u = [ 1.42082870838765 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128197900245e-05 , 0.0722109534389759 , 0.460791909238905 , 1.13075780128903 , 1.13075778834733 , 6.17502955127921e-05 , 0.977139014588873 , 0.735936481645208 , 1.12042722263229 , 1.1204272429854 ].
Idistance(0) = 5.65234392915173
Idistance(1) = 19.8382957757894
Idistance(2) = 88.8195415391863
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.020091 seconds
*** |--> MPS gauge change = 0.032432 seconds
*** |--> Diagram calc = 0.0495930000000001 seconds
*** |--> Tensor update = 0.927745 seconds
*** |--> create = 0.224128 seconds
*** |--> destroy = 0.015917 seconds
*** |--> disk write = 0.364285 seconds
*** |--> disk read = 0.226519 seconds
*** |--> calc = 0.0959 seconds
*** Disk write bandwidth = 1.15936805815888 MB/s
*** Disk read bandwidth = 1.8644810945943 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory.
FCI::matvec : Wall time = 0.006834 seconds
FCI::matvec : Wall time = 0.006816 seconds
FCI::matvec : Wall time = 0.00676 seconds
FCI::matvec : Wall time = 0.006759 seconds
FCI::matvec : Wall time = 0.006755 seconds
FCI::matvec : Wall time = 0.006738 seconds
FCI::matvec : Wall time = 0.006718 seconds
FCI::matvec : Wall time = 0.006724 seconds
FCI::matvec : Wall time = 0.006747 seconds
FCI::matvec : Wall time = 0.006738 seconds
FCI::matvec : Wall time = 0.006748 seconds
FCI::matvec : Wall time = 0.006747 seconds
FCI::matvec : Wall time = 0.006757 seconds
FCI::matvec : Wall time = 0.006751 seconds
FCI::matvec : Wall time = 0.006739 seconds
FCI::matvec : Wall time = 0.006751 seconds
FCI::matvec : Wall time = 0.006763 seconds
FCI::matvec : Wall time = 0.00672 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
('RMS difference FCI and DMRG determinant coefficients =', 1.3221063706125618e-07)
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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) = 17
Energy at sites (8, 9) is -102.231677547821
Stats: nIt(DAVIDSON) = 32
Energy at sites (7, 8) is -106.624687727452
Stats: nIt(DAVIDSON) = 32
Energy at sites (6, 7) is -106.778095529065
Stats: nIt(DAVIDSON) = 56
Energy at sites (5, 6) is -107.328143877591
Stats: nIt(DAVIDSON) = 31
Energy at sites (4, 5) is -107.346082330651
Stats: nIt(DAVIDSON) = 16
Energy at sites (3, 4) is -107.346193281205
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -107.346194648647
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346194648646
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 4.492765 seconds
*** |--> S.join = 0.003403 seconds
*** |--> S.solve = 4.051371 seconds
*** |--> S.split = 0.016161 seconds
*** |--> Tensor update = 0.418121 seconds
*** |--> create = 0.112426 seconds
*** |--> destroy = 0.00541 seconds
*** |--> disk write = 0.144577 seconds
*** |--> disk read = 0.098911 seconds
*** |--> calc = 0.056528 seconds
*** Disk write bandwidth = 5.6633255711057 MB/s
*** Disk read bandwidth = 8.24137516243296 MB/s
*** Minimum energy = -107.346194648647
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346194648647
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346194648646
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346194648646
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.346194650723
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.346194683675
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -107.346320606087
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.346325555657
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346325555658
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.145903 seconds
*** |--> S.join = 0.012078 seconds
*** |--> S.solve = 0.634216 seconds
*** |--> S.split = 0.016104 seconds
*** |--> Tensor update = 0.479818 seconds
*** |--> create = 0.115693 seconds
*** |--> destroy = 0.005523 seconds
*** |--> disk write = 0.194037 seconds
*** |--> disk read = 0.098401 seconds
*** |--> calc = 0.06591 seconds
*** Disk write bandwidth = 4.2010681400527 MB/s
*** Disk read bandwidth = 8.32091768471611 MB/s
*** Minimum energy = -107.346325555658
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.346325555658
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346325555657
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346325555658
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346325555658
Stats: nIt(DAVIDSON) = 7
Energy at sites (5, 6) is -107.346325560161
Stats: nIt(DAVIDSON) = 5
Energy at sites (4, 5) is -107.346326089063
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.346326103082
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.34632610309
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326103089
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.908893 seconds
*** |--> S.join = 0.005768 seconds
*** |--> S.solve = 0.446478 seconds
*** |--> S.split = 0.012181 seconds
*** |--> Tensor update = 0.440847 seconds
*** |--> create = 0.115327 seconds
*** |--> destroy = 0.005857 seconds
*** |--> disk write = 0.150019 seconds
*** |--> disk read = 0.10207 seconds
*** |--> calc = 0.067322 seconds
*** Disk write bandwidth = 5.45788614171372 MB/s
*** Disk read bandwidth = 7.98630997052421 MB/s
*** Minimum energy = -107.34632610309
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326103089
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326103089
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.34632610309
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326103089
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.34632610309
Stats: nIt(DAVIDSON) = 4
Energy at sites (5, 6) is -107.346326114706
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326114707
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114707
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.6829 seconds
*** |--> S.join = 0.003569 seconds
*** |--> S.solve = 0.222033 seconds
*** |--> S.split = 0.018471 seconds
*** |--> Tensor update = 0.435076 seconds
*** |--> create = 0.116044 seconds
*** |--> destroy = 0.00593 seconds
*** |--> disk write = 0.15906 seconds
*** |--> disk read = 0.098223 seconds
*** |--> calc = 0.055567 seconds
*** Disk write bandwidth = 5.12487525896772 MB/s
*** Disk read bandwidth = 8.3359968754136 MB/s
*** Minimum energy = -107.346326114707
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.59049141202195e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.346326114707
*** Minimum energy encountered during the last sweep = -107.346326114707
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.346326114708
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -107.34632611475
Stats: nIt(DAVIDSON) = 12
Energy at sites (6, 7) is -107.346326114751
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.346326114752
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.346326115017
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.346326115018
Stats: nIt(DAVIDSON) = 7
Energy at sites (2, 3) is -107.346326115018
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115018
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.879968 seconds
*** |--> S.join = 0.005597 seconds
*** |--> S.solve = 1.425046 seconds
*** |--> S.split = 0.013671 seconds
*** |--> Tensor update = 0.431957 seconds
*** |--> create = 0.121337 seconds
*** |--> destroy = 0.006342 seconds
*** |--> disk write = 0.151945 seconds
*** |--> disk read = 0.098925 seconds
*** |--> calc = 0.053155 seconds
*** Disk write bandwidth = 5.3887039461236 MB/s
*** Disk read bandwidth = 8.24020883185652 MB/s
*** Minimum energy = -107.346326115018
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115018
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115018
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115018
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.346326115018
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -107.346326115018
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 7
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115025
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 1.340891 seconds
*** |--> S.join = 0.003291 seconds
*** |--> S.solve = 0.900859 seconds
*** |--> S.split = 0.011856 seconds
*** |--> Tensor update = 0.421284 seconds
*** |--> create = 0.115279 seconds
*** |--> destroy = 0.00558 seconds
*** |--> disk write = 0.151207 seconds
*** |--> disk read = 0.0981970000000001 seconds
*** |--> calc = 0.050762 seconds
*** Disk write bandwidth = 5.39103784012252 MB/s
*** Disk read bandwidth = 8.33820402959102 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.17839976560208e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 6
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.346326115025
Stats: nIt(DAVIDSON) = 7
Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115024
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 1.016613 seconds
*** |--> S.join = 0.007514 seconds
*** |--> S.solve = 0.555041 seconds
*** |--> S.split = 0.01784 seconds
*** |--> Tensor update = 0.432587 seconds
*** |--> create = 0.112209 seconds
*** |--> destroy = 0.005486 seconds
*** |--> disk write = 0.14933 seconds
*** |--> disk read = 0.098692 seconds
*** |--> calc = 0.066637 seconds
*** Disk write bandwidth = 5.48306851331782 MB/s
*** Disk read bandwidth = 8.25966297867513 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115025
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.346326115025
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115024
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 0.919148 seconds
*** |--> S.join = 0.007447 seconds
*** |--> S.solve = 0.467756 seconds
*** |--> S.split = 0.019522 seconds
*** |--> Tensor update = 0.420977 seconds
*** |--> create = 0.11527 seconds
*** |--> destroy = 0.005507 seconds
*** |--> disk write = 0.15075 seconds
*** |--> disk read = 0.098328 seconds
*** |--> calc = 0.050871 seconds
*** Disk write bandwidth = 5.40738082050684 MB/s
*** Disk read bandwidth = 8.32709524340727 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.346326115025
*** Minimum energy encountered during the last sweep = -107.346326115025
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024
NOON of irrep Ag = [ 1.99999018535365 , 1.99292175271921 , 1.03221285690337 ].
NOON of irrep B2g = [ 1.02415310257633 ].
NOON of irrep B3g = [ 0.0896934287682583 ].
NOON of irrep B1u = [ 1.99999295584654 , 1.95039154286742 , 0.0159495095052514 ].
NOON of irrep B2u = [ 1.91962159297547 ].
NOON of irrep B3u = [ 1.9750730724845 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322992758523 , 0.0447141470258341 , 0.838966993955176 , 0.790658960283658 , 0.317368561101016 , 9.24989500929186e-05 , 0.227634117219823 , 0.0907424583430885 , 0.299652804807787 , 0.133979296995532 ].
Idistance(0) = 1.5721540788349
Idistance(1) = 5.15805448299577
Idistance(2) = 21.9866409908456
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.113663 seconds
*** |--> MPS gauge change = 0.00573 seconds
*** |--> Diagram calc = 0.058028 seconds
*** |--> Tensor update = 1.04136 seconds
*** |--> create = 0.271098 seconds
*** |--> destroy = 0.014323 seconds
*** |--> disk write = 0.364187 seconds
*** |--> disk read = 0.237301 seconds
*** |--> calc = 0.153232 seconds
*** Disk write bandwidth = 4.56047520557133 MB/s
*** Disk read bandwidth = 6.99898350066543 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory.
FCI::matvec : Wall time = 0.017623 seconds
FCI::matvec : Wall time = 0.017443 seconds
FCI::matvec : Wall time = 0.017276 seconds
FCI::matvec : Wall time = 0.019062 seconds
FCI::matvec : Wall time = 0.01944 seconds
FCI::matvec : Wall time = 0.055627 seconds
FCI::matvec : Wall time = 0.018535 seconds
FCI::matvec : Wall time = 0.050665 seconds
FCI::matvec : Wall time = 0.020938 seconds
FCI::matvec : Wall time = 0.050231 seconds
FCI::matvec : Wall time = 0.019503 seconds
FCI::matvec : Wall time = 0.046797 seconds
FCI::matvec : Wall time = 0.017355 seconds
FCI::matvec : Wall time = 0.017368 seconds
FCI::matvec : Wall time = 0.017364 seconds
FCI::matvec : Wall time = 0.017522 seconds
FCI::matvec : Wall time = 0.01739 seconds
FCI::matvec : Wall time = 0.017435 seconds
FCI::GSDavidson : Converged ground state energy = -107.346326115024
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
('RMS difference FCI and DMRG determinant coefficients =', 6.3839762806384077e-09)
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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) = 17
Energy at sites (8, 9) is -103.202028254436
Stats: nIt(DAVIDSON) = 37
Energy at sites (7, 8) is -106.238723150198
Stats: nIt(DAVIDSON) = 47
Energy at sites (6, 7) is -106.950200505114
Stats: nIt(DAVIDSON) = 71
Energy at sites (5, 6) is -107.1860975543
Stats: nIt(DAVIDSON) = 41
Energy at sites (4, 5) is -107.189240466458
Stats: nIt(DAVIDSON) = 38
Energy at sites (3, 4) is -107.199536419535
Stats: nIt(DAVIDSON) = 13
Energy at sites (2, 3) is -107.199560443999
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199560443999
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 5.803758 seconds
*** |--> S.join = 0.003132 seconds
*** |--> S.solve = 5.333451 seconds
*** |--> S.split = 0.012234 seconds
*** |--> Tensor update = 0.451264 seconds
*** |--> create = 0.112137 seconds
*** |--> destroy = 0.005704 seconds
*** |--> disk write = 0.176542 seconds
*** |--> disk read = 0.099331 seconds
*** |--> calc = 0.057298 seconds
*** Disk write bandwidth = 4.764752263161 MB/s
*** Disk read bandwidth = 8.43195912293871 MB/s
*** Minimum energy = -107.199560443999
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199560443999
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199560443999
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199560443999
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.199560449868
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.199572005642
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.199615680428
Stats: nIt(DAVIDSON) = 7
Energy at sites (6, 7) is -107.199617339447
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617339447
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.418142 seconds
*** |--> S.join = 0.012697 seconds
*** |--> S.solve = 0.931544 seconds
*** |--> S.split = 0.013971 seconds
*** |--> Tensor update = 0.456187 seconds
*** |--> create = 0.121077 seconds
*** |--> destroy = 0.005636 seconds
*** |--> disk write = 0.155179 seconds
*** |--> disk read = 0.122975 seconds
*** |--> calc = 0.051062 seconds
*** Disk write bandwidth = 5.3973471387277 MB/s
*** Disk read bandwidth = 6.84024309040837 MB/s
*** Minimum energy = -107.199617339447
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.199617339447
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.199617339447
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617339447
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617339447
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.199617340729
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.199617355417
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.199617420117
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.199617421601
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421601
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.903254 seconds
*** |--> S.join = 0.01007 seconds
*** |--> S.solve = 0.450636 seconds
*** |--> S.split = 0.015585 seconds
*** |--> Tensor update = 0.426372 seconds
*** |--> create = 0.113437 seconds
*** |--> destroy = 0.005659 seconds
*** |--> disk write = 0.150999 seconds
*** |--> disk read = 0.1012 seconds
*** |--> calc = 0.054844 seconds
*** Disk write bandwidth = 5.57075804503983 MB/s
*** Disk read bandwidth = 8.27623450237772 MB/s
*** Minimum energy = -107.199617421601
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421601
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421601
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421601
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421601
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.199617421703
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -107.199617421902
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617421903
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421902
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.632563 seconds
*** |--> S.join = 0.01007 seconds
*** |--> S.solve = 0.188216 seconds
*** |--> S.split = 0.014399 seconds
*** |--> Tensor update = 0.4193 seconds
*** |--> create = 0.11457 seconds
*** |--> destroy = 0.005702 seconds
*** |--> disk write = 0.150272 seconds
*** |--> disk read = 0.098558 seconds
*** |--> calc = 0.049963 seconds
*** Disk write bandwidth = 5.57359276272775 MB/s
*** Disk read bandwidth = 8.53486164535572 MB/s
*** Minimum energy = -107.199617421903
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 8.2455272831794e-08
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.199617421903
*** Minimum energy encountered during the last sweep = -107.199617421903
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -107.199617421905
Stats: nIt(DAVIDSON) = 11
Energy at sites (7, 8) is -107.199617421911
Stats: nIt(DAVIDSON) = 17
Energy at sites (6, 7) is -107.199617421916
Stats: nIt(DAVIDSON) = 21
Energy at sites (5, 6) is -107.199617421917
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.199617421917
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.199617421918
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421919
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 2.109249 seconds
*** |--> S.join = 0.012951 seconds
*** |--> S.solve = 1.654896 seconds
*** |--> S.split = 0.012434 seconds
*** |--> Tensor update = 0.426846 seconds
*** |--> create = 0.111225 seconds
*** |--> destroy = 0.006957 seconds
*** |--> disk write = 0.157639 seconds
*** |--> disk read = 0.099009 seconds
*** |--> calc = 0.051757 seconds
*** Disk write bandwidth = 5.33610904689175 MB/s
*** Disk read bandwidth = 8.4593817899446 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421919
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.199617421919
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.199617421919
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -107.199617421919
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421919
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 1.259474 seconds
*** |--> S.join = 0.007954 seconds
*** |--> S.solve = 0.798025 seconds
*** |--> S.split = 0.020001 seconds
*** |--> Tensor update = 0.429874 seconds
*** |--> create = 0.114293 seconds
*** |--> destroy = 0.005624 seconds
*** |--> disk write = 0.15018 seconds
*** |--> disk read = 0.098813 seconds
*** |--> calc = 0.06072 seconds
*** Disk write bandwidth = 5.57700713570798 MB/s
*** Disk read bandwidth = 8.51283630739851 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.65130131790647e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.199617421919
*** Minimum energy encountered during the last sweep = -107.199617421919
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421918
NOON of irrep Ag = [ 1.9999881465101 , 1.98924041566701 , 1.87687857982033 ].
NOON of irrep B2g = [ 0.13938781141501 ].
NOON of irrep B3g = [ 1.03112739710668 ].
NOON of irrep B1u = [ 1.99999431244153 , 1.10839164074807 , 0.0211636956898237 ].
NOON of irrep B2u = [ 1.96715797350612 ].
NOON of irrep B3u = [ 1.86667002709532 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980012521456 , 0.0818410215665188 , 0.44962319846483 , 0.486645055895486 , 0.811029482091086 , 6.68868114607457e-05 , 0.962046613747415 , 0.112095070383099 , 0.167176150655167 , 0.475082461507726 ].
Idistance(0) = 2.38445939280727
Idistance(1) = 9.57998274316132
Idistance(2) = 47.878364701678
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.155196 seconds
*** |--> MPS gauge change = 0.012799 seconds
*** |--> Diagram calc = 0.067453 seconds
*** |--> Tensor update = 1.066351 seconds
*** |--> create = 0.268064 seconds
*** |--> destroy = 0.014307 seconds
*** |--> disk write = 0.361215 seconds
*** |--> disk read = 0.258489 seconds
*** |--> calc = 0.163126 seconds
*** Disk write bandwidth = 4.72198089666776 MB/s
*** Disk read bandwidth = 6.59854125161939 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory.
FCI::matvec : Wall time = 0.017418 seconds
FCI::matvec : Wall time = 0.017292 seconds
FCI::matvec : Wall time = 0.017267 seconds
FCI::matvec : Wall time = 0.017269 seconds
FCI::matvec : Wall time = 0.017257 seconds
FCI::matvec : Wall time = 0.017247 seconds
FCI::matvec : Wall time = 0.017229 seconds
FCI::matvec : Wall time = 0.017225 seconds
FCI::matvec : Wall time = 0.0173220000000001 seconds
FCI::matvec : Wall time = 0.017275 seconds
FCI::matvec : Wall time = 0.017292 seconds
FCI::matvec : Wall time = 0.017284 seconds
FCI::matvec : Wall time = 0.017301 seconds
FCI::matvec : Wall time = 0.017292 seconds
FCI::matvec : Wall time = 0.017296 seconds
FCI::matvec : Wall time = 0.019497 seconds
FCI::matvec : Wall time = 0.019449 seconds
FCI::matvec : Wall time = 0.057226 seconds
FCI::matvec : Wall time = 0.018846 seconds
FCI::matvec : Wall time = 0.120082 seconds
FCI::matvec : Wall time = 0.01951 seconds
FCI::GSDavidson : Converged ground state energy = -107.199617421919
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
('RMS difference FCI and DMRG determinant coefficients =', 4.0455897021502099e-09)
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'
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[ 65%] Built target chemps2-base
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[ 68%] Built target chemps2-bin
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[ 69%] Built target chemps2-static
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[ 71%] Built target test14
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[ 73%] Built target test13
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[ 76%] Built target test12
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[ 78%] Built target test11
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[ 80%] Built target test3
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[ 82%] Built target test4
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 84%] Built target test2
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 86%] Built target test6
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 89%] Built target test1
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 91%] Built target test5
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 93%] Built target test7
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[ 95%] Built target test8
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[ 97%] Built target test9
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[100%] Built target test10
make[3]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Install the project...
-- Install configuration: "release"
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Config.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2ConfigVersion.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so.2
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so
-- Set runtime path of "/<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so.2" to ""
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2
-- Set runtime path of "/<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2" to ""
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.a
-- Up-to-date: /<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/CASPT2.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/CASSCF.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/ConjugateGradient.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/Cumulant.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/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/DMRGSCFrotations.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/Excitation.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/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/Molden.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/Special.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/Tensor3RDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorF0.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorF1.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorGYZ.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorKM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorL.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorO.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorOperator.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/TensorS1.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/ThreeDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TwoDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TwoIndex.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Wigner.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static-release.cmake
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_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
running install_egg_info
Writing ../debian/tmp/usr/lib/python2.7/dist-packages/CheMPS2-1.8.3.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>>'
dh_installman -a
dh_python2 -a
I: dh_python2 fs:322: renaming PyCheMPS2.so to PyCheMPS2.arm-linux-gnueabihf.so
dh_perl -a
dh_link -a
dh_strip_nondeterminism -a
dh_compress -a
dh_fixperms -a
dh_strip -a
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/CASPT2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/CASSCF.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/CASSCFdebug.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/CASSCFpt2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/ConjugateGradient.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/ConvergenceScheme.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Correlations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Cumulant.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Davidson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DIIS.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRG.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGfock.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGmpsio.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGoperators.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGSCFindices.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGSCFoptions.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGSCFrotations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGSCFunitary.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/DMRGtechnics.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Excitation.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/FCI.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/FourIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Hamiltonian.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Heff.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/HeffDiagonal.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/HeffDiagrams1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/HeffDiagrams2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/HeffDiagrams3.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/HeffDiagrams4.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/HeffDiagrams5.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Initialize.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Irreps.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Molden.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/PrintLicense.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Problem.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Sobject.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/SyBookkeeper.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Tensor3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorF0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorF1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorGYZ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorKM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorL.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorO.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorOperator.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorQ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorS0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorS1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorT.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TensorX.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/ThreeDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TwoDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/TwoIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stm7f1Ln/Wigner.cpp.o: plugin needed to handle lto object
dh_makeshlibs -a
dpkg-gensymbols: warning: debian/libchemps2-2/DEBIAN/symbols doesn't match completely debian/libchemps2-2.symbols
--- debian/libchemps2-2.symbols (libchemps2-2_1.8.3-2_armhf)
+++ dpkg-gensymbolsLkTuLw 2016-12-19 10:58:35.783872568 +0000
@@ -142,11 +142,11 @@
_ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.7
_ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.7
_ZN7CheMPS216DMRGSCFintegralsD2Ev@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.7
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8
(optional)_ZN7CheMPS216DMRGSCFrotations10close_fileExxx@Base 1.8
- (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEllPdiii@Base 1.8
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.7
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEllPdiii@Base 1.8
(optional)_ZN7CheMPS216DMRGSCFrotations10write_fileExxPdiii@Base 1.8
_ZN7CheMPS216DMRGSCFrotations13package_firstEPdS1_iii@Base 1.7
_ZN7CheMPS216DMRGSCFrotations15blockwise_firstEPdS1_iiiS1_ii@Base 1.7
@@ -159,11 +159,11 @@
_ZN7CheMPS216DMRGSCFrotations5writeEPdPNS_9FourIndexEPNS_16DMRGSCFintegralsEcccciiiiPNS_14DMRGSCFindicesEiib@Base 1.7
_ZN7CheMPS216DMRGSCFrotations6rotateEPKNS_9FourIndexEPS1_PNS_16DMRGSCFintegralsEccccPNS_14DMRGSCFindicesEPNS_14DMRGSCFunitaryEPdSB_iNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
_ZN7CheMPS216DMRGSCFrotations9dimensionEPNS_14DMRGSCFindicesEic@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPlS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPlS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
(optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPxS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
- (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEllPdiii@Base 1.8
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.7
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEllPdiii@Base 1.8
(optional)_ZN7CheMPS216DMRGSCFrotations9read_fileExxPdiii@Base 1.8
_ZN7CheMPS217ConjugateGradient12apply_preconEPd@Base 1.7
_ZN7CheMPS217ConjugateGradient12apply_preconEPdS1_@Base 1.7
@@ -243,11 +243,11 @@
_ZN7CheMPS24DMRG16symm_4rdm_helperEPdiiddbd@Base 1.7
_ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.7
_ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.7
- (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
- (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
(optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
- (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
- (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
+#MISSING: 1.8.3-2# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
(optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
_ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.7
_ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.7
dh_shlibdeps -a
dpkg-shlibdeps: warning: symbol __aeabi_atexit@CXXABI_ARM_1.3.3 used by debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 found in none of the libraries
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 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/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 was not linked against libsz.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 was not linked against libdl.so.2 (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 libsz.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against ld-linux-armhf.so.3 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libblas.so.3 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against 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 liblapack.so.3 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libgomp.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libhdf5_serial.so.100 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libz.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libdl.so.2 (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 libchemps2-2: unused substitution variable ${python:Depends}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package libchemps2-2: unused substitution variable ${python:Depends}
dpkg-gencontrol: warning: Depends field of package libchemps2-dev: unknown substitution variable ${shlibs:Depends}
dpkg-gencontrol: warning: 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 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:Provides}
dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Provides}
dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions}
dh_md5sums -a
dh_builddeb -a
dpkg-deb: building package 'libchemps2-2-dbgsym' in '../libchemps2-2-dbgsym_1.8.3-2_armhf.deb'.
dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.3-2_armhf.deb'.
dpkg-deb: building package 'python-chemps2-dbgsym' in '../python-chemps2-dbgsym_1.8.3-2_armhf.deb'.
dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.3-2_armhf.deb'.
dpkg-deb: building package 'chemps2' in '../chemps2_1.8.3-2_armhf.deb'.
dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.8.3-2_armhf.deb'.
dpkg-deb: building package 'libchemps2-2' in '../libchemps2-2_1.8.3-2_armhf.deb'.
dpkg-genbuildinfo --build=any
dpkg-genbuildinfo: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-genchanges --build=any -mRaspbian wandboard test autobuilder <root@raspbian.org> >../chemps2_1.8.3-2_armhf.changes
dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included)
dpkg-source --after-build chemps2-1.8.3
dpkg-buildpackage: info: binary-only upload (no source included)
--------------------------------------------------------------------------------
Build finished at 2016-12-19T10:59:44Z
Finished
--------
I: Built successfully
+------------------------------------------------------------------------------+
| Post Build Chroot |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Changes |
+------------------------------------------------------------------------------+
chemps2_1.8.3-2_armhf.changes:
------------------------------
Format: 1.8
Date: Thu, 08 Dec 2016 12:44:07 +0100
Source: chemps2
Binary: libchemps2-2 libchemps2-dev chemps2-doc chemps2 python-chemps2
Architecture: armhf
Version: 1.8.3-2
Distribution: stretch-staging
Urgency: medium
Maintainer: Raspbian wandboard test autobuilder <root@raspbian.org>
Changed-By: Sebastian Wouters <sebastianwouters@gmail.com>
Description:
chemps2 - Executable to call libchemps2-2 from the command line
chemps2-doc - Documentation of the libchemps2-2 package
libchemps2-2 - Spin-adapted DMRG for ab initio quantum chemistry
libchemps2-dev - C++ headers, static library, and symlink for libchemps2-2
python-chemps2 - Python 2 interface for libchemps2-2
Changes:
chemps2 (1.8.3-2) unstable; urgency=medium
.
* Fix lintian errors (i386 build)
Checksums-Sha1:
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chemps2-dbgsym_1.8.3-2_armhf.deb
--------------------------------
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chemps2_1.8.3-2_armhf.deb
-------------------------
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327 bytes, 5 lines md5sums
Package: chemps2
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Depends: libblas3 | libblas.so.3, libc6 (>= 2.4), libchemps2-2 (= 1.8.3-2), libgcc1 (>= 1:3.5), libgomp1 (>= 4.2.1), libhdf5-100, liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2), libsz2, zlib1g (>= 1:1.1.4)
Suggests: chemps2-doc
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Replaces: libchemps2-1 (<< 1.7-1~)
Section: science
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Executable to call libchemps2-2 from the command line
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
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electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the executable which parses Hamiltonians in
fcidump format, performs DMRG-SCF and DMRG-CASPT2 calculations as
specified by the user.
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libchemps2-2-dbgsym_1.8.3-2_armhf.deb
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Installed-Size: 1334
Depends: libchemps2-2 (= 1.8.3-2)
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libchemps2-2_1.8.3-2_armhf.deb
------------------------------
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Suggests: chemps2-doc
Section: libs
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Spin-adapted DMRG for ab initio quantum chemistry
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
drwxr-xr-x root/root 0 2016-12-08 11:44 ./
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libchemps2-dev_1.8.3-2_armhf.deb
--------------------------------
new debian package, version 2.0.
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1641 bytes, 36 lines control
3675 bytes, 55 lines md5sums
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Section: libdevel
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: C++ headers, static library, and symlink for libchemps2-2
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the C++ headers, static library, and symlink
for libchemps2.
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python-chemps2-dbgsym_1.8.3-2_armhf.deb
---------------------------------------
new debian package, version 2.0.
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106 bytes, 1 lines md5sums
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drwxr-xr-x root/root 0 2016-12-08 11:44 ./usr/share/
drwxr-xr-x root/root 0 2016-12-08 11:44 ./usr/share/doc/
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python-chemps2_1.8.3-2_armhf.deb
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Package: python-chemps2
Source: chemps2
Version: 1.8.3-2
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 298
Depends: python-numpy (>= 1:1.10.0~b1), python-numpy-abi9, python (<< 2.8), python (>= 2.7~), python:any (<< 2.8), python:any (>= 2.7~), libc6 (>= 2.4), libchemps2-2 (= 1.8.3-2), libgcc1 (>= 1:3.5), libstdc++6 (>= 5.2)
Suggests: chemps2-doc
Section: python
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Python 2 interface for libchemps2-2
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the library for Python 2.
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drwxr-xr-x root/root 0 2016-12-08 11:44 ./usr/lib/
drwxr-xr-x root/root 0 2016-12-08 11:44 ./usr/lib/python2.7/
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-rw-r--r-- root/root 795 2016-12-08 11:44 ./usr/lib/python2.7/dist-packages/CheMPS2-1.8.3.egg-info
-rw-r--r-- root/root 287272 2016-12-08 11:44 ./usr/lib/python2.7/dist-packages/PyCheMPS2.arm-linux-gnueabihf.so
drwxr-xr-x root/root 0 2016-12-08 11:44 ./usr/share/
drwxr-xr-x root/root 0 2016-12-08 11:44 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-12-08 11:44 ./usr/share/doc/python-chemps2/
lrwxrwxrwx root/root 0 2016-12-08 11:44 ./usr/share/doc/python-chemps2/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 1172 2016-12-08 11:44 ./usr/share/doc/python-chemps2/changelog.Debian.gz
-rw-r--r-- root/root 1312 2016-11-15 18:51 ./usr/share/doc/python-chemps2/changelog.gz
-rw-r--r-- root/root 1274 2016-12-08 11:44 ./usr/share/doc/python-chemps2/copyright
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Build Architecture: armhf
Build-Space: 67460
Build-Time: 1158
Distribution: stretch-staging
Host Architecture: armhf
Install-Time: 782
Job: chemps2_1.8.3-2
Machine Architecture: armhf
Package: chemps2
Package-Time: 1989
Source-Version: 1.8.3-2
Space: 67460
Status: successful
Version: 1.8.3-2
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Finished at 2016-12-19T10:59:44Z
Build needed 00:33:09, 67460k disc space