chemps2 →
1.8-2 →
armhf → 2016-09-15 13:18:41
sbuild (Debian sbuild) 0.66.0 (04 Oct 2015) on bm-wb-03
+==============================================================================+
| chemps2 1.8-2 (armhf) 15 Sep 2016 12:46 |
+==============================================================================+
Package: chemps2
Version: 1.8-2
Source Version: 1.8-2
Distribution: stretch-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf
I: NOTICE: Log filtering will replace 'build/chemps2-lzPJJF/chemps2-1.8' with '<<PKGBUILDDIR>>'
I: NOTICE: Log filtering will replace 'build/chemps2-lzPJJF' with '<<BUILDDIR>>'
I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/stretch-staging-armhf-sbuild-61972dfa-1367-4bea-87cf-8f0a4f569cf6' 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 [9283 kB]
Get:3 http://172.17.0.1/private stretch-staging/main armhf Packages [11.2 MB]
Fetched 20.5 MB in 22s (894 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 1266 kB of source archives.
Get:1 http://172.17.0.1/private stretch-staging/main chemps2 1.8-2 (dsc) [2430 B]
Get:2 http://172.17.0.1/private stretch-staging/main chemps2 1.8-2 (tar) [1250 kB]
Get:3 http://172.17.0.1/private stretch-staging/main chemps2 1.8-2 (diff) [12.9 kB]
Fetched 1266 kB in 0s (4402 kB/s)
Download complete and in download only mode
Check architectures
-------------------
Check dependencies
------------------
Merged Build-Depends: build-essential, fakeroot
Filtered Build-Depends: build-essential, fakeroot
dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive/sbuild-build-depends-core-dummy.deb'.
Warning: apt-key output should not be parsed (stdout is not a terminal)
OK
Get:1 file:/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive ./ InRelease
Ign:1 file:/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive ./ InRelease
Get:2 file:/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive ./ Release [2119 B]
Get:2 file:/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive ./ Release [2119 B]
Get:3 file:/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive ./ Release.gpg [299 B]
Get:3 file:/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive ./ Release.gpg [299 B]
Get:4 file:/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive ./ Sources [214 B]
Get:5 file:/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive ./ Packages [526 B]
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
W: file:///<<BUILDDIR>>/resolver-dUVPQ3/apt_archive/./Release.gpg: Signature by key 3493EC2B8E6DC280C121C60435506D9A48F77B2E uses weak digest algorithm (SHA1)
Reading package lists...
+------------------------------------------------------------------------------+
| Install core build dependencies (apt-based resolver) |
+------------------------------------------------------------------------------+
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following NEW packages will be installed:
sbuild-build-depends-core-dummy
0 upgraded, 1 newly installed, 0 to remove and 33 not upgraded.
Need to get 0 B/768 B of archives.
After this operation, 0 B of additional disk space will be used.
Get:1 file:/<<BUILDDIR>>/resolver-dUVPQ3/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [768 B]
debconf: delaying package configuration, since apt-utils is not installed
Selecting previously unselected package sbuild-build-depends-core-dummy.
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(Reading database ... 13920 files and directories currently installed.)
Preparing to unpack .../sbuild-build-depends-core-dummy.deb ...
Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ...
Setting up sbuild-build-depends-core-dummy (0.invalid.0) ...
W: No sandbox user '_apt' on the system, can not drop privileges
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-wlmRMJ/apt_archive/sbuild-build-depends-chemps2-dummy.deb'.
Warning: apt-key output should not be parsed (stdout is not a terminal)
OK
Get:1 file:/<<BUILDDIR>>/resolver-wlmRMJ/apt_archive ./ InRelease
Ign:1 file:/<<BUILDDIR>>/resolver-wlmRMJ/apt_archive ./ InRelease
Get:2 file:/<<BUILDDIR>>/resolver-wlmRMJ/apt_archive ./ Release [2119 B]
Get:2 file:/<<BUILDDIR>>/resolver-wlmRMJ/apt_archive ./ Release [2119 B]
Get:3 file:/<<BUILDDIR>>/resolver-wlmRMJ/apt_archive ./ Release.gpg [299 B]
Get:3 file:/<<BUILDDIR>>/resolver-wlmRMJ/apt_archive ./ Release.gpg [299 B]
Get:4 file:/<<BUILDDIR>>/resolver-wlmRMJ/apt_archive ./ Sources [322 B]
Get:5 file:/<<BUILDDIR>>/resolver-wlmRMJ/apt_archive ./ Packages [642 B]
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
W: file:///<<BUILDDIR>>/resolver-wlmRMJ/apt_archive/./Release.gpg: Signature by key 3493EC2B8E6DC280C121C60435506D9A48F77B2E uses weak digest algorithm (SHA1)
Reading package lists...
+------------------------------------------------------------------------------+
| Install chemps2 build dependencies (apt-based resolver) |
+------------------------------------------------------------------------------+
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following additional packages will be installed:
autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data
cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism
docutils-common file fonts-mathjax gettext gettext-base gfortran gfortran-6
groff-base hdf5-helpers intltool-debian libaec-dev libaec0
libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libbsd0
libcroco3 libcurl3 libexpat1 libexpat1-dev libffi6
libfile-stripnondeterminism-perl libgfortran-6-dev libgfortran3 libglib2.0-0
libgnutls30 libgssapi-krb5-2 libhdf5-10 libhdf5-cpp-11 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 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 libsqlite3-0 libssh2-1
libssl1.0.2 libsz2 libtasn1-6 libtimedate-perl libtool libunistring0 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-dev
Suggested packages:
autoconf-archive gnu-standards autoconf-doc wamerican | wordlist whois
vacation codeblocks eclipse ninja-build cython-doc dh-make gettext-doc
libasprintf-dev libgettextpo-dev gfortran-doc gfortran-6-doc
libgfortran3-dbg libcoarrays-dev groff lrzip liblapack-doc-man liblapack-doc
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 texlive-latex-recommended texlive-latex-base
texlive-lang-french fonts-linuxlibertine | ttf-linux-libertine
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 python-pil libpaper-utils
docutils-doc 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 libhdf5-10 libhdf5-cpp-11 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 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 libsqlite3-0 libssh2-1
libssl1.0.2 libsz2 libtasn1-6 libtimedate-perl libtool libunistring0 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
0 upgraded, 124 newly installed, 0 to remove and 33 not upgraded.
Need to get 117 MB/117 MB of archives.
After this operation, 421 MB of additional disk space will be used.
Get:1 file:/<<BUILDDIR>>/resolver-wlmRMJ/apt_archive ./ sbuild-build-depends-chemps2-dummy 0.invalid.0 [884 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 9.0.10 [177 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 man-db armhf 2.7.5-1 [975 kB]
Get:7 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-minimal armhf 2.7.12-3 [388 kB]
Get:8 http://172.17.0.1/private stretch-staging/main armhf python2.7-minimal armhf 2.7.12-3 [1174 kB]
Get:9 http://172.17.0.1/private stretch-staging/main armhf python-minimal armhf 2.7.11-2 [40.3 kB]
Get:10 http://172.17.0.1/private stretch-staging/main armhf mime-support all 3.60 [36.7 kB]
Get:11 http://172.17.0.1/private stretch-staging/main armhf libexpat1 armhf 2.2.0-1 [61.7 kB]
Get:12 http://172.17.0.1/private stretch-staging/main armhf libsqlite3-0 armhf 3.14.1-1 [483 kB]
Get:13 http://172.17.0.1/private stretch-staging/main armhf libssl1.0.2 armhf 1.0.2h-1 [889 kB]
Get:14 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-stdlib armhf 2.7.12-3 [1843 kB]
Get:15 http://172.17.0.1/private stretch-staging/main armhf python2.7 armhf 2.7.12-3 [279 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 3.6.1-1 [1152 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 57.1-4 [7407 kB]
Get:21 http://172.17.0.1/private stretch-staging/main armhf libxml2 armhf 2.9.4+dfsg1-1+b1 [803 kB]
Get:22 http://172.17.0.1/private stretch-staging/main armhf libarchive13 armhf 3.2.1-2 [250 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 1.14.3+dfsg-2 [57.5 kB]
Get:25 http://172.17.0.1/private stretch-staging/main armhf libk5crypto3 armhf 1.14.3+dfsg-2 [110 kB]
Get:26 http://172.17.0.1/private stretch-staging/main armhf libkrb5-3 armhf 1.14.3+dfsg-2 [262 kB]
Get:27 http://172.17.0.1/private stretch-staging/main armhf libgssapi-krb5-2 armhf 1.14.3+dfsg-2 [131 kB]
Get:28 http://172.17.0.1/private stretch-staging/main armhf libp11-kit0 armhf 0.23.2-5 [93.9 kB]
Get:29 http://172.17.0.1/private stretch-staging/main armhf libtasn1-6 armhf 4.9-4 [44.9 kB]
Get:30 http://172.17.0.1/private stretch-staging/main armhf libgnutls30 armhf 3.5.3-4 [728 kB]
Get:31 http://172.17.0.1/private stretch-staging/main armhf libsasl2-modules-db armhf 2.1.26.dfsg1-15 [65.6 kB]
Get:32 http://172.17.0.1/private stretch-staging/main armhf libsasl2-2 armhf 2.1.26.dfsg1-15 [96.7 kB]
Get:33 http://172.17.0.1/private stretch-staging/main armhf libldap-2.4-2 armhf 2.4.42+dfsg-2+rpi1+b2 [198 kB]
Get:34 http://172.17.0.1/private stretch-staging/main armhf libnghttp2-14 armhf 1.14.0-1 [74.2 kB]
Get:35 http://172.17.0.1/private stretch-staging/main armhf librtmp1 armhf 2.4+20151223.gitfa8646d.1-1 [54.2 kB]
Get:36 http://172.17.0.1/private stretch-staging/main armhf libssh2-1 armhf 1.7.0-1 [125 kB]
Get:37 http://172.17.0.1/private stretch-staging/main armhf libcurl3 armhf 7.50.1-1 [251 kB]
Get:38 http://172.17.0.1/private stretch-staging/main armhf libjsoncpp1 armhf 1.7.4-3 [66.2 kB]
Get:39 http://172.17.0.1/private stretch-staging/main armhf cmake armhf 3.6.1-1 [2269 kB]
Get:40 http://172.17.0.1/private stretch-staging/main armhf libpython3.5-minimal armhf 3.5.2-4 [560 kB]
Get:41 http://172.17.0.1/private stretch-staging/main armhf python3.5-minimal armhf 3.5.2-4 [1169 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 3.5.2-4 [2019 kB]
Get:45 http://172.17.0.1/private stretch-staging/main armhf python3.5 armhf 3.5.2-4 [216 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 1.28 [14.7 kB]
Get:50 http://172.17.0.1/private stretch-staging/main armhf libmagic-mgc armhf 1:5.28-4 [210 kB]
Get:51 http://172.17.0.1/private stretch-staging/main armhf libmagic1 armhf 1:5.28-4 [104 kB]
Get:52 http://172.17.0.1/private stretch-staging/main armhf file armhf 1:5.28-4 [62.7 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 2.7.12-3 [913 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 20160430.1 [72.6 kB]
Get:59 http://172.17.0.1/private stretch-staging/main armhf automake all 1:1.15-4 [735 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 cython armhf 0.23.4+git4-g7eed8d8-2 [1452 kB]
Get:62 http://172.17.0.1/private stretch-staging/main armhf libtool all 2.4.6-2 [545 kB]
Get:63 http://172.17.0.1/private stretch-staging/main armhf dh-autoreconf all 12 [15.8 kB]
Get:64 http://172.17.0.1/private stretch-staging/main armhf libarchive-zip-perl all 1.59-1 [95.5 kB]
Get:65 http://172.17.0.1/private stretch-staging/main armhf libfile-stripnondeterminism-perl all 0.023-2 [13.4 kB]
Get:66 http://172.17.0.1/private stretch-staging/main armhf libtimedate-perl all 2.3000-2 [42.2 kB]
Get:67 http://172.17.0.1/private stretch-staging/main armhf dh-strip-nondeterminism all 0.023-2 [8202 B]
Get:68 http://172.17.0.1/private stretch-staging/main armhf libglib2.0-0 armhf 2.49.6-1 [2518 kB]
Get:69 http://172.17.0.1/private stretch-staging/main armhf libcroco3 armhf 0.6.11-1 [131 kB]
Get:70 http://172.17.0.1/private stretch-staging/main armhf libunistring0 armhf 0.9.6+really0.9.3-0.1 [252 kB]
Get:71 http://172.17.0.1/private stretch-staging/main armhf gettext armhf 0.19.8.1-1 [1433 kB]
Get:72 http://172.17.0.1/private stretch-staging/main armhf intltool-debian all 0.35.0+20060710.4 [26.3 kB]
Get:73 http://172.17.0.1/private stretch-staging/main armhf po-debconf all 1.0.19 [249 kB]
Get:74 http://172.17.0.1/private stretch-staging/main armhf debhelper all 10 [823 kB]
Get:75 http://172.17.0.1/private stretch-staging/main armhf docutils-common all 0.12+dfsg-1 [185 kB]
Get:76 http://172.17.0.1/private stretch-staging/main armhf fonts-mathjax all 2.6.1-1 [959 kB]
Get:77 http://172.17.0.1/private stretch-staging/main armhf libgfortran3 armhf 6.1.1-11+rpi1 [166 kB]
Get:78 http://172.17.0.1/private stretch-staging/main armhf libgfortran-6-dev armhf 6.1.1-11+rpi1 [200 kB]
Get:79 http://172.17.0.1/private stretch-staging/main armhf gfortran-6 armhf 6.1.1-11+rpi1 [27.9 MB]
Get:80 http://172.17.0.1/private stretch-staging/main armhf gfortran armhf 4:6.1.1-1 [1370 B]
Get:81 http://172.17.0.1/private stretch-staging/main armhf hdf5-helpers armhf 1.8.16+docs-8 [35.3 kB]
Get:82 http://172.17.0.1/private stretch-staging/main armhf libaec0 armhf 0.3.2-1 [19.4 kB]
Get:83 http://172.17.0.1/private stretch-staging/main armhf libblas-common armhf 3.6.1-2 [13.9 kB]
Get:84 http://172.17.0.1/private stretch-staging/main armhf libblas3 armhf 3.6.1-2 [112 kB]
Get:85 http://172.17.0.1/private stretch-staging/main armhf libblas-dev armhf 3.6.1-2 [18.9 kB]
Get:86 http://172.17.0.1/private stretch-staging/main armhf libexpat1-dev armhf 2.2.0-1 [117 kB]
Get:87 http://172.17.0.1/private stretch-staging/main armhf libsz2 armhf 0.3.2-1 [5836 B]
Get:88 http://172.17.0.1/private stretch-staging/main armhf libhdf5-10 armhf 1.8.16+docs-8 [981 kB]
Get:89 http://172.17.0.1/private stretch-staging/main armhf libhdf5-cpp-11 armhf 1.8.16+docs-8 [115 kB]
Get:90 http://172.17.0.1/private stretch-staging/main armhf zlib1g-dev armhf 1:1.2.8.dfsg-2+b1 [197 kB]
Get:91 http://172.17.0.1/private stretch-staging/main armhf libjpeg62-turbo armhf 1:1.5.0-1 [109 kB]
Get:92 http://172.17.0.1/private stretch-staging/main armhf libjpeg62-turbo-dev armhf 1:1.5.0-1 [181 kB]
Get:93 http://172.17.0.1/private stretch-staging/main armhf libjpeg-dev all 1:1.5.0-1 [54.8 kB]
Get:94 http://172.17.0.1/private stretch-staging/main armhf libaec-dev armhf 0.3.2-1 [17.6 kB]
Get:95 http://172.17.0.1/private stretch-staging/main armhf libhdf5-dev armhf 1.8.16+docs-8 [4909 kB]
Get:96 http://172.17.0.1/private stretch-staging/main armhf libjs-jquery all 1.12.4-1 [167 kB]
Get:97 http://172.17.0.1/private stretch-staging/main armhf libjs-underscore all 1.8.3~dfsg-1 [63.8 kB]
Get:98 http://172.17.0.1/private stretch-staging/main armhf libjs-sphinxdoc all 1.4.5-1 [66.2 kB]
Get:99 http://172.17.0.1/private stretch-staging/main armhf liblapack3 armhf 3.6.1-2 [1392 kB]
Get:100 http://172.17.0.1/private stretch-staging/main armhf liblapack-dev armhf 3.6.1-2 [1379 kB]
Get:101 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-dev armhf 2.7.12-3 [27.5 MB]
Get:102 http://172.17.0.1/private stretch-staging/main armhf libpython-dev armhf 2.7.11-2 [19.8 kB]
Get:103 http://172.17.0.1/private stretch-staging/main armhf python-all armhf 2.7.11-2 [940 B]
Get:104 http://172.17.0.1/private stretch-staging/main armhf python-babel-localedata all 2.3.4+dfsg.1-2 [3402 kB]
Get:105 http://172.17.0.1/private stretch-staging/main armhf python-pkg-resources all 27.1.2-1 [162 kB]
Get:106 http://172.17.0.1/private stretch-staging/main armhf python-tz all 2015.7+dfsg-0.1 [33.6 kB]
Get:107 http://172.17.0.1/private stretch-staging/main armhf python-babel all 2.3.4+dfsg.1-2 [82.5 kB]
Get:108 http://172.17.0.1/private stretch-staging/main armhf python-roman all 2.0.0-2 [8130 B]
Get:109 http://172.17.0.1/private stretch-staging/main armhf python-docutils all 0.12+dfsg-1 [361 kB]
Get:110 http://172.17.0.1/private stretch-staging/main armhf python-imagesize all 0.7.1-1 [3814 B]
Get:111 http://172.17.0.1/private stretch-staging/main armhf python-markupsafe armhf 0.23-2+b1 [15.7 kB]
Get:112 http://172.17.0.1/private stretch-staging/main armhf python-jinja2 all 2.8-1 [111 kB]
Get:113 http://172.17.0.1/private stretch-staging/main armhf python-numpy armhf 1:1.11.1~rc1-1 [1599 kB]
Get:114 http://172.17.0.1/private stretch-staging/main armhf python-pygments all 2.1.3+dfsg-1 [535 kB]
Get:115 http://172.17.0.1/private stretch-staging/main armhf python-setuptools all 27.1.2-1 [213 kB]
Get:116 http://172.17.0.1/private stretch-staging/main armhf python-six all 1.10.0-3 [14.4 kB]
Get:117 http://172.17.0.1/private stretch-staging/main armhf python-alabaster all 0.7.8-1 [18.4 kB]
Get:118 http://172.17.0.1/private stretch-staging/main armhf sphinx-common all 1.4.5-1 [347 kB]
Get:119 http://172.17.0.1/private stretch-staging/main armhf python-sphinx all 1.4.5-1 [429 kB]
Get:120 http://172.17.0.1/private stretch-staging/main armhf libjs-mathjax all 2.6.1-1 [5473 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_2.26.1-1 dpkg-dev_1.18.10 g++-6_6.1.1-11+rpi1 gcc-6_6.1.1-11+rpi1 libc6-dev_2.23-4 libstdc++-6-dev_6.1.1-11+rpi1 libstdc++6_6.1.1-11+rpi1 linux-libc-dev_3.18.5-1~exp1+rpi19+stretch
Package versions: adduser_3.115 apt_1.3~pre3 autoconf_2.69-10 automake_1:1.15-4 autopoint_0.19.8.1-1 autotools-dev_20160430.1 base-files_9.6+rpi1 base-passwd_3.5.39 bash_4.3-15 binutils_2.26.1-1 bsdmainutils_9.0.10 bsdutils_1:2.28-6 build-essential_12.2 bzip2_1.0.6-8 cmake_3.6.1-1 cmake-data_3.6.1-1 console-setup_1.147 console-setup-linux_1.147 coreutils_8.25-2 cpio_2.11+dfsg-5 cpp_4:6.1.1-1 cpp-6_6.1.1-11+rpi1 cython_0.23.4+git4-g7eed8d8-2 dash_0.5.8-2.3 debconf_1.5.59 debfoster_2.7-2.1 debhelper_10 debianutils_4.8 dh-autoreconf_12 dh-python_2.20160818 dh-strip-nondeterminism_0.023-2 diffutils_1:3.3-3 dmsetup_2:1.02.130-1 docutils-common_0.12+dfsg-1 dpkg_1.18.10 dpkg-dev_1.18.10 e2fslibs_1.43.1-1 e2fsprogs_1.43.1-1 fakeroot_1.21-1 file_1:5.28-4 findutils_4.6.0+git+20160703-2 fonts-mathjax_2.6.1-1 fuse2fs_1.43.1-1 g++_4:6.1.1-1 g++-6_6.1.1-11+rpi1 gcc_4:6.1.1-1 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-5-base_5.4.0-4 gcc-6_6.1.1-11+rpi1 gcc-6-base_6.1.1-11+rpi1 gettext_0.19.8.1-1 gettext-base_0.19.8.1-1 gfortran_4:6.1.1-1 gfortran-6_6.1.1-11+rpi1 gnupg_1.4.20-6 gpgv_1.4.20-6 grep_2.25-6 groff-base_1.22.3-8 gzip_1.6-5 hdf5-helpers_1.8.16+docs-8 hostname_3.18 ifupdown_0.8.13 init_1.42 init-system-helpers_1.42 initscripts_2.88dsf-59.8 insserv_1.14.0-5.4 intltool-debian_0.35.0+20060710.4 iproute2_4.6.0-1 kbd_2.0.3-2 keyboard-configuration_1.147 klibc-utils_2.0.4-9+rpi1 kmod_22-1.1 libacl1_2.2.52-3 libaec-dev_0.3.2-1 libaec0_0.3.2-1 libapparmor1_2.10.95-4 libapt-pkg5.0_1.3~pre3 libarchive-zip-perl_1.59-1 libarchive13_3.2.1-2 libasan3_6.1.1-11+rpi1 libatm1_1:2.5.1-1.6 libatomic1_6.1.1-11+rpi1 libattr1_1:2.4.47-2 libaudit-common_1:2.6.5-1 libaudit1_1:2.6.5-1 libblas-common_3.6.1-2 libblas-dev_3.6.1-2 libblas3_3.6.1-2 libblkid1_2.28-6 libbsd0_0.8.3-1 libbz2-1.0_1.0.6-8 libc-bin_2.23-4 libc-dev-bin_2.23-4 libc6_2.23-4 libc6-dev_2.23-4 libcap-ng0_0.7.7-3 libcap2_1:2.25-1 libcap2-bin_1:2.25-1 libcc1-0_6.1.1-11+rpi1 libcomerr2_1.43.1-1 libcroco3_0.6.11-1 libcryptsetup4_2:1.7.0-2 libcurl3_7.50.1-1 libdb5.3_5.3.28-12 libdbus-1-3_1.10.8-1 libdebconfclient0_0.215 libdevmapper1.02.1_2:1.02.130-1 libdpkg-perl_1.18.10 libdrm2_2.4.70-1 libexpat1_2.2.0-1 libexpat1-dev_2.2.0-1 libfakeroot_1.21-1 libfdisk1_2.28-6 libffi6_3.2.1-4 libfile-stripnondeterminism-perl_0.023-2 libfuse2_2.9.7-1 libgc1c2_1:7.4.2-8 libgcc-6-dev_6.1.1-11+rpi1 libgcc1_1:6.1.1-11+rpi1 libgcrypt20_1.7.2-2 libgdbm3_1.8.3-14 libgfortran-6-dev_6.1.1-11+rpi1 libgfortran3_6.1.1-11+rpi1 libglib2.0-0_2.49.6-1 libgmp10_2:6.1.1+dfsg-1 libgnutls30_3.5.3-4 libgomp1_6.1.1-11+rpi1 libgpg-error0_1.24-1 libgssapi-krb5-2_1.14.3+dfsg-2 libhdf5-10_1.8.16+docs-8 libhdf5-cpp-11_1.8.16+docs-8 libhdf5-dev_1.8.16+docs-8 libhogweed4_3.2-1 libicu57_57.1-4 libidn11_1.33-1 libisl15_0.17.1-1 libjpeg-dev_1:1.5.0-1 libjpeg62-turbo_1:1.5.0-1 libjpeg62-turbo-dev_1:1.5.0-1 libjs-jquery_1.12.4-1 libjs-mathjax_2.6.1-1 libjs-sphinxdoc_1.4.5-1 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libpython3.5-minimal_3.5.2-4 libpython3.5-stdlib_3.5.2-4 libreadline6_6.3-8+b3 librtmp1_2.4+20151223.gitfa8646d.1-1 libsasl2-2_2.1.26.dfsg1-15 libsasl2-modules-db_2.1.26.dfsg1-15 libseccomp2_2.3.1-2 libselinux1_2.5-3 libsemanage-common_2.5-1 libsemanage1_2.5-1 libsepol1_2.5-1 libsigsegv2_2.10-5 libsmartcols1_2.28-6 libsqlite3-0_3.14.1-1 libss2_1.43.1-1 libssh2-1_1.7.0-1 libssl1.0.2_1.0.2h-1 libstdc++-6-dev_6.1.1-11+rpi1 libstdc++6_6.1.1-11+rpi1 libsystemd0_230-7+b1 libsz2_0.3.2-1 libtasn1-6_4.9-4 libtimedate-perl_2.3000-2 libtinfo5_6.0+20160625-1 libtool_2.4.6-2 libubsan0_6.1.1-11+rpi1 libudev1_230-7+b1 libunistring0_0.9.6+really0.9.3-0.1 libusb-0.1-4_2:0.1.12-30 libustr-1.0-1_1.0.4-5 libuuid1_2.28-6 libxml2_2.9.4+dfsg1-1+b1 linux-libc-dev_3.18.5-1~exp1+rpi19+stretch login_1:4.2-3.1 lsb-base_9.20160629+rpi1 m4_1.4.17-5 make_4.1-9 makedev_2.3.1-93 man-db_2.7.5-1 manpages_4.07-1 mawk_1.3.3-17 mime-support_3.60 mount_2.28-6 multiarch-support_2.23-4 ncurses-base_6.0+20160625-1 ncurses-bin_6.0+20160625-1 netbase_5.3 passwd_1:4.2-3.1 patch_2.7.5-1 perl_5.22.2-3 perl-base_5.22.2-3 perl-modules-5.22_5.22.2-3 po-debconf_1.0.19 procps_2:3.3.12-2 psmisc_22.21-2.1 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-1 python-imagesize_0.7.1-1 python-jinja2_2.8-1 python-markupsafe_0.23-2+b1 python-minimal_2.7.11-2 python-numpy_1:1.11.1~rc1-1 python-pkg-resources_27.1.2-1 python-pygments_2.1.3+dfsg-1 python-roman_2.0.0-2 python-setuptools_27.1.2-1 python-six_1.10.0-3 python-sphinx_1.4.5-1 python-tz_2015.7+dfsg-0.1 python2.7_2.7.12-3 python2.7-minimal_2.7.12-3 python3_3.5.1-4 python3-minimal_3.5.1-4 python3.5_3.5.2-4 python3.5-minimal_3.5.2-4 raspbian-archive-keyring_20120528.2 readline-common_6.3-8 sbuild-build-depends-chemps2-dummy_0.invalid.0 sbuild-build-depends-core-dummy_0.invalid.0 sed_4.2.2-7.1 sensible-utils_0.0.9 sgml-base_1.28 sphinx-common_1.4.5-1 startpar_0.59-3.1 systemd_230-7+b1 systemd-sysv_230-7+b1 sysv-rc_2.88dsf-59.8 sysvinit-utils_2.88dsf-59.8 tar_1.29b-1 tzdata_2016f-1 udev_230-7+b1 util-linux_2.28-6 xkb-data_2.17-1 xml-core_0.13+nmu2 xz-utils_5.1.1alpha+20120614-2.1 zlib1g_1:1.2.8.dfsg-2+b1 zlib1g-dev_1:1.2.8.dfsg-2+b1
+------------------------------------------------------------------------------+
| Build |
+------------------------------------------------------------------------------+
Unpack source
-------------
gpgv: keyblock resource `/sbuild-nonexistent/.gnupg/trustedkeys.gpg': file open error
gpgv: Signature made Fri Sep 9 13:57:10 2016 UTC using RSA key ID 669CE1C2
gpgv: Can't check signature: public key not found
dpkg-source: warning: failed to verify signature on ./chemps2_1.8-2.dsc
dpkg-source: info: extracting chemps2 in chemps2-1.8
dpkg-source: info: unpacking chemps2_1.8.orig.tar.gz
dpkg-source: info: unpacking chemps2_1.8-2.debian.tar.xz
Check disc space
----------------
Sufficient free space for build
User Environment
----------------
DEB_BUILD_OPTIONS=parallel=4
HOME=/sbuild-nonexistent
LOGNAME=root
PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games
SCHROOT_ALIAS_NAME=stretch-staging-armhf-sbuild
SCHROOT_CHROOT_NAME=stretch-staging-armhf-sbuild
SCHROOT_COMMAND=env
SCHROOT_GID=109
SCHROOT_GROUP=buildd
SCHROOT_SESSION_ID=stretch-staging-armhf-sbuild-61972dfa-1367-4bea-87cf-8f0a4f569cf6
SCHROOT_UID=104
SCHROOT_USER=buildd
SHELL=/bin/sh
TERM=vt102
USER=buildd
dpkg-buildpackage
-----------------
dpkg-buildpackage: info: source package chemps2
dpkg-buildpackage: info: source version 1.8-2
dpkg-buildpackage: info: source distribution unstable
dpkg-source --before-build chemps2-1.8
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 6.1.1
-- The CXX compiler identification is GNU 6.1.1
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Try OpenMP C flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Try OpenMP CXX flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Found OpenMP: -fopenmp
-- Performing Test HAS_IPO
-- Performing Test HAS_IPO - Failed
-- Performing Test HAS_FLTO
-- Performing Test HAS_FLTO - Success
-- Looking for 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
-- HDF5: Using hdf5 compiler wrapper to determine CXX configuration
-- Found HDF5: /usr/lib/arm-linux-gnueabihf/libhdf5_cpp.so;/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 "1.8.16")
-- 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
[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o
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[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o
[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o
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[ 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
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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
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[ 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
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[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o
[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.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'
[ 65%] Built target chemps2-base
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-shared
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 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 chemps2bin
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 67%] Building CXX object CheMPS2/CMakeFiles/chemps2bin.dir/executable.cpp.o
[ 68%] Linking CXX executable chemps2
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 68%] Built target chemps2bin
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
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/usr/bin/ar: CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o: plugin needed to handle lto object
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/usr/bin/ar: CMakeFiles/chemps2-base.dir/Davidson.cpp.o: plugin needed to handle lto object
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/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRG.cpp.o: plugin needed to handle lto object
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/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object
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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 v1.4.5
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:251:
/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
c++ -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-Ov5cuR/python2.7-2.7.12=. -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 7.63 sec
Start 5: test5
2/3 Test #5: test5 ............................ Passed 14.74 sec
Start 8: test8
3/3 Test #8: test8 ............................ Passed 11.54 sec
100% tests passed, 0 tests failed out of 3
Total Test time (real) = 33.92 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) = 12
Energy at sites (8, 9) is -99.4799311413944
Stats: nIt(DAVIDSON) = 19
Energy at sites (7, 8) is -106.852501735874
Stats: nIt(DAVIDSON) = 58
Energy at sites (6, 7) is -106.873666583866
Stats: nIt(DAVIDSON) = 69
Energy at sites (5, 6) is -106.906203357665
Stats: nIt(DAVIDSON) = 32
Energy at sites (4, 5) is -107.630299434059
Stats: nIt(DAVIDSON) = 29
Energy at sites (3, 4) is -107.648045875987
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648045875988
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648045875988
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 3.596045 seconds
*** |--> S.join = 0.003421 seconds
*** |--> S.solve = 3.287885 seconds
*** |--> S.split = 0.009656 seconds
*** |--> Tensor update = 0.291386 seconds
*** |--> create = 0.091235 seconds
*** |--> destroy = 0.005099 seconds
*** |--> disk write = 0.081015 seconds
*** |--> disk read = 0.079476 seconds
*** |--> calc = 0.034333 seconds
*** Disk write bandwidth = 7.23273947026592 MB/s
*** Disk read bandwidth = 7.39775568425334 MB/s
*** Minimum energy = -107.648045875988
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648045875988
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648045875988
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648045875988
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648045875988
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.648064394508
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250627826
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250627826
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250627825
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.712172 seconds
*** |--> S.join = 0.004409 seconds
*** |--> S.solve = 0.384448 seconds
*** |--> S.split = 0.019377 seconds
*** |--> Tensor update = 0.29624 seconds
*** |--> create = 0.100335 seconds
*** |--> destroy = 0.005164 seconds
*** |--> disk write = 0.08548 seconds
*** |--> disk read = 0.073036 seconds
*** |--> calc = 0.031963 seconds
*** Disk write bandwidth = 6.87814729482591 MB/s
*** Disk read bandwidth = 8.02289813494159 MB/s
*** Minimum energy = -107.648250627826
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.648250627825
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.648250627826
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250627825
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250627825
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250627826
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.64825087403
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.648250972666
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972666
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972666
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.468823 seconds
*** |--> S.join = 0.002504 seconds
*** |--> S.solve = 0.185215 seconds
*** |--> S.split = 0.009183 seconds
*** |--> Tensor update = 0.268381 seconds
*** |--> create = 0.089824 seconds
*** |--> destroy = 0.00545 seconds
*** |--> disk write = 0.080104 seconds
*** |--> disk read = 0.058562 seconds
*** |--> calc = 0.034195 seconds
*** Disk write bandwidth = 7.31499535832909 MB/s
*** Disk read bandwidth = 10.0396849622916 MB/s
*** Minimum energy = -107.648250972666
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250972666
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972666
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972666
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250972666
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.648250972741
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.648250973998
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250973998
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250973998
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.413453 seconds
*** |--> S.join = 0.002414 seconds
*** |--> S.solve = 0.130696 seconds
*** |--> S.split = 0.00917 seconds
*** |--> Tensor update = 0.26756 seconds
*** |--> create = 0.090233 seconds
*** |--> destroy = 0.005146 seconds
*** |--> disk write = 0.081318 seconds
*** |--> disk read = 0.058568 seconds
*** |--> calc = 0.032064 seconds
*** Disk write bandwidth = 7.23018311765807 MB/s
*** Disk read bandwidth = 10.0047873955674 MB/s
*** Minimum energy = -107.648250973998
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.46172555509838e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.648250973998
*** Minimum energy encountered during the last sweep = -107.648250973998
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 6
Energy at sites (8, 9) is -107.648250973999
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.648250973999
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.648250974
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250974001
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.648250974004
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974013
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.928785 seconds
*** |--> S.join = 0.003609 seconds
*** |--> S.solve = 0.640635 seconds
*** |--> S.split = 0.00928 seconds
*** |--> Tensor update = 0.271728 seconds
*** |--> create = 0.090312 seconds
*** |--> destroy = 0.005463 seconds
*** |--> disk write = 0.081983 seconds
*** |--> disk read = 0.059404 seconds
*** |--> calc = 0.034315 seconds
*** Disk write bandwidth = 7.14734015812539 MB/s
*** Disk read bandwidth = 9.89738116560701 MB/s
*** Minimum energy = -107.648250974013
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250974013
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.648250974013
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974013
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.624421 seconds
*** |--> S.join = 0.00402 seconds
*** |--> S.solve = 0.318519 seconds
*** |--> S.split = 0.010569 seconds
*** |--> Tensor update = 0.287698 seconds
*** |--> create = 0.091061 seconds
*** |--> destroy = 0.005465 seconds
*** |--> disk write = 0.08893 seconds
*** |--> disk read = 0.058424 seconds
*** |--> calc = 0.043566 seconds
*** Disk write bandwidth = 6.61131261398537 MB/s
*** Disk read bandwidth = 10.0294466004312 MB/s
*** Minimum energy = -107.648250974014
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.54614099301398e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.648250974014
*** Minimum energy encountered during the last sweep = -107.648250974014
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014
NOON of irrep Ag = [ 1.99999530444266 , 1.99487994124136 , 1.98267954075157 ].
NOON of irrep B2g = [ 0.074871552447199 ].
NOON of irrep B3g = [ 0.0748715522423433 ].
NOON of irrep B1u = [ 1.99999681839217 , 1.98658242705391 , 0.0188079711937986 ].
NOON of irrep B2u = [ 1.93365744607768 ].
NOON of irrep B3u = [ 1.93365744615731 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009430511094 , 0.0515866786442721 , 0.0764971078676372 , 0.257716819176431 , 0.257716818860535 , 8.47155301637184e-05 , 0.0462800406107634 , 0.100736303258704 , 0.241506019839124 , 0.241506019622897 ].
Idistance(0) = 1.30939331284282
Idistance(1) = 5.42402999679171
Idistance(2) = 26.7355488152286
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.717785 seconds
*** |--> MPS gauge change = 0.007822 seconds
*** |--> Diagram calc = 0.049711 seconds
*** |--> Tensor update = 0.652329 seconds
*** |--> create = 0.210725 seconds
*** |--> destroy = 0.012858 seconds
*** |--> disk write = 0.191593 seconds
*** |--> disk read = 0.139449 seconds
*** |--> calc = 0.096713 seconds
*** Disk write bandwidth = 6.21436092006395 MB/s
*** Disk read bandwidth = 8.53808956505828 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 = 0.024052 seconds
FCI::matvec : Wall time = 0.023824 seconds
FCI::matvec : Wall time = 0.023826 seconds
FCI::matvec : Wall time = 0.023778 seconds
FCI::matvec : Wall time = 0.023845 seconds
FCI::matvec : Wall time = 0.02389 seconds
FCI::matvec : Wall time = 0.023854 seconds
FCI::matvec : Wall time = 0.023813 seconds
FCI::matvec : Wall time = 0.023879 seconds
FCI::matvec : Wall time = 0.023868 seconds
FCI::matvec : Wall time = 0.023968 seconds
FCI::matvec : Wall time = 0.023906 seconds
FCI::matvec : Wall time = 0.023929 seconds
FCI::matvec : Wall time = 0.023896 seconds
FCI::matvec : Wall time = 0.02397 seconds
FCI::matvec : Wall time = 0.025942 seconds
FCI::matvec : Wall time = 0.084882 seconds
FCI::matvec : Wall time = 0.051167 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 = 1.52129792014e-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 -105.22026967304
Stats: nIt(DAVIDSON) = 36
Energy at sites (7, 8) is -106.328532418902
Stats: nIt(DAVIDSON) = 38
Energy at sites (6, 7) is -106.373903813066
Stats: nIt(DAVIDSON) = 63
Energy at sites (5, 6) is -107.317922083904
Stats: nIt(DAVIDSON) = 46
Energy at sites (4, 5) is -107.325611850522
Stats: nIt(DAVIDSON) = 22
Energy at sites (3, 4) is -107.328763252566
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.328764968498
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764968497
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 4.971096 seconds
*** |--> S.join = 0.004471 seconds
*** |--> S.solve = 4.648473 seconds
*** |--> S.split = 0.011701 seconds
*** |--> Tensor update = 0.302781 seconds
*** |--> create = 0.10201 seconds
*** |--> destroy = 0.005216 seconds
*** |--> disk write = 0.083895 seconds
*** |--> disk read = 0.0611530000000001 seconds
*** |--> calc = 0.050271 seconds
*** Disk write bandwidth = 10.070036886929 MB/s
*** Disk read bandwidth = 13.7556911717587 MB/s
*** Minimum energy = -107.328764968498
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328764968497
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764968497
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328764968497
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.328764970656
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328767290577
Stats: nIt(DAVIDSON) = 7
Energy at sites (5, 6) is -107.328768891977
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768891977
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768891977
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.812637 seconds
*** |--> S.join = 0.003989 seconds
*** |--> S.solve = 0.475716 seconds
*** |--> S.split = 0.018439 seconds
*** |--> Tensor update = 0.310909 seconds
*** |--> create = 0.105509 seconds
*** |--> destroy = 0.005311 seconds
*** |--> disk write = 0.083954 seconds
*** |--> disk read = 0.060572 seconds
*** |--> calc = 0.055317 seconds
*** Disk write bandwidth = 10.019793961295 MB/s
*** Disk read bandwidth = 13.9474632607295 MB/s
*** Minimum energy = -107.328768891977
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.328768891977
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.328768891977
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768891977
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768891977
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768891977
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.328768892339
Stats: nIt(DAVIDSON) = 3
Energy at sites (3, 4) is -107.328768897979
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.328768897993
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897993
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.513811 seconds
*** |--> S.join = 0.006747 seconds
*** |--> S.solve = 0.188383 seconds
*** |--> S.split = 0.011556 seconds
*** |--> Tensor update = 0.303459 seconds
*** |--> create = 0.10284 seconds
*** |--> destroy = 0.005319 seconds
*** |--> disk write = 0.083742 seconds
*** |--> disk read = 0.060901 seconds
*** |--> calc = 0.050402 seconds
*** Disk write bandwidth = 10.0884352490854 MB/s
*** Disk read bandwidth = 13.8126103385258 MB/s
*** Minimum energy = -107.328768897993
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768897993
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897993
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897993
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768897993
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.32876889802
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.32876889802
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.47039 seconds
*** |--> S.join = 0.003539 seconds
*** |--> S.solve = 0.137515 seconds
*** |--> S.split = 0.0127 seconds
*** |--> Tensor update = 0.312957 seconds
*** |--> create = 0.105809 seconds
*** |--> destroy = 0.00524 seconds
*** |--> disk write = 0.085819 seconds
*** |--> disk read = 0.060528 seconds
*** |--> calc = 0.055309 seconds
*** Disk write bandwidth = 9.80204595982897 MB/s
*** Disk read bandwidth = 13.9576021779822 MB/s
*** Minimum energy = -107.32876889802
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 6.04293859396421e-09
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.32876889802
*** Minimum energy encountered during the last sweep = -107.32876889802
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -107.328768898022
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -107.328768898026
Stats: nIt(DAVIDSON) = 12
Energy at sites (6, 7) is -107.328768898032
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.328768898032
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.328768898032
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 = 1.609263 seconds
*** |--> S.join = 0.007647 seconds
*** |--> S.solve = 1.271496 seconds
*** |--> S.split = 0.011472 seconds
*** |--> Tensor update = 0.315068 seconds
*** |--> create = 0.102491 seconds
*** |--> destroy = 0.005446 seconds
*** |--> disk write = 0.08364 seconds
*** |--> disk read = 0.063586 seconds
*** |--> calc = 0.059666 seconds
*** Disk write bandwidth = 10.1007382189013 MB/s
*** Disk read bandwidth = 13.2293552389923 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) = 7
Energy at sites (3, 4) is -107.328768898033
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328768898033
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898032
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898033
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.830937 seconds
*** |--> S.join = 0.002906 seconds
*** |--> S.solve = 0.510389 seconds
*** |--> S.split = 0.011356 seconds
*** |--> Tensor update = 0.302693 seconds
*** |--> create = 0.105433 seconds
*** |--> destroy = 0.005309 seconds
*** |--> disk write = 0.083997 seconds
*** |--> disk read = 0.060461 seconds
*** |--> calc = 0.047253 seconds
*** Disk write bandwidth = 10.0146645978614 MB/s
*** Disk read bandwidth = 13.9730693278131 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.27045041153906e-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) = -107.328768898033
NOON of irrep Ag = [ 1.99999672241049 , 1.99571463015286 , 1.98497373604394 ].
NOON of irrep B2g = [ 0.538989905139277 ].
NOON of irrep B3g = [ 0.538989904938333 ].
NOON of irrep B1u = [ 1.99999702947248 , 1.99149890562655 , 0.0194690668356692 ].
NOON of irrep B2u = [ 1.46518504979123 ].
NOON of irrep B3u = [ 1.46518504958918 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862741607826 , 0.0587089374206012 , 0.0554792809717984 , 1.11957630008831 , 1.11957629997895 , 8.52797482001121e-05 , 0.0421718621267654 , 0.105000352888825 , 1.11261995847065 , 1.11261995858155 ].
Idistance(0) = 4.60188108184182
Idistance(1) = 17.7825010795676
Idistance(2) = 85.6947708212678
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.948402 seconds
*** |--> MPS gauge change = 0.042977 seconds
*** |--> Diagram calc = 0.071791 seconds
*** |--> Tensor update = 0.825167 seconds
*** |--> create = 0.258308 seconds
*** |--> destroy = 0.01408 seconds
*** |--> disk write = 0.203712 seconds
*** |--> disk read = 0.178909 seconds
*** |--> calc = 0.169039 seconds
*** Disk write bandwidth = 8.40865550758777 MB/s
*** Disk read bandwidth = 9.57438715079576 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 = 0.017129 seconds
FCI::matvec : Wall time = 0.016976 seconds
FCI::matvec : Wall time = 0.016982 seconds
FCI::matvec : Wall time = 0.016939 seconds
FCI::matvec : Wall time = 0.016955 seconds
FCI::matvec : Wall time = 0.016911 seconds
FCI::matvec : Wall time = 0.016929 seconds
FCI::matvec : Wall time = 0.016951 seconds
FCI::matvec : Wall time = 0.016934 seconds
FCI::matvec : Wall time = 0.01695 seconds
FCI::matvec : Wall time = 0.016993 seconds
FCI::matvec : Wall time = 0.016994 seconds
FCI::matvec : Wall time = 0.016963 seconds
FCI::matvec : Wall time = 0.016984 seconds
FCI::matvec : Wall time = 0.017001 seconds
FCI::matvec : Wall time = 0.017002 seconds
FCI::matvec : Wall time = 0.016981 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 = 1.58360710767e-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) = 12
Energy at sites (8, 9) is -104.192466040439
Stats: nIt(DAVIDSON) = 21
Energy at sites (7, 8) is -106.983985400754
Stats: nIt(DAVIDSON) = 19
Energy at sites (6, 7) is -106.994526466835
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -106.994859047676
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -106.996811395532
Stats: nIt(DAVIDSON) = 23
Energy at sites (3, 4) is -106.9990927922
Stats: nIt(DAVIDSON) = 14
Energy at sites (2, 3) is -107.007878228392
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007878228392
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 1.101861 seconds
*** |--> S.join = 0.003973 seconds
*** |--> S.solve = 0.847938 seconds
*** |--> S.split = 0.005839 seconds
*** |--> Tensor update = 0.240542 seconds
*** |--> create = 0.081801 seconds
*** |--> destroy = 0.00521 seconds
*** |--> disk write = 0.0761 seconds
*** |--> disk read = 0.056135 seconds
*** |--> calc = 0.021045 seconds
*** Disk write bandwidth = 2.56622354555067 MB/s
*** Disk read bandwidth = 3.45962835651499 MB/s
*** Minimum energy = -107.007878228392
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007878228392
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007878228392
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007878228392
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.007878823072
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.00788258984
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.007920327707
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.007920328586
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920328586
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.598322 seconds
*** |--> S.join = 0.00991 seconds
*** |--> S.solve = 0.332929 seconds
*** |--> S.split = 0.005712 seconds
*** |--> Tensor update = 0.246276 seconds
*** |--> create = 0.083067 seconds
*** |--> destroy = 0.005487 seconds
*** |--> disk write = 0.077868 seconds
*** |--> disk read = 0.055835 seconds
*** |--> calc = 0.023783 seconds
*** Disk write bandwidth = 2.49404425172046 MB/s
*** Disk read bandwidth = 3.49761998417491 MB/s
*** Minimum energy = -107.007920328586
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.007920328586
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007920328586
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920328586
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920328586
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920328586
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.007920342347
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.00792039406
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.007920596515
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596515
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.362557 seconds
*** |--> S.join = 0.005508 seconds
*** |--> S.solve = 0.099332 seconds
*** |--> S.split = 0.005741 seconds
*** |--> Tensor update = 0.248427 seconds
*** |--> create = 0.082055 seconds
*** |--> destroy = 0.008229 seconds
*** |--> disk write = 0.081099 seconds
*** |--> disk read = 0.055961 seconds
*** |--> calc = 0.020844 seconds
*** Disk write bandwidth = 2.4080397022948 MB/s
*** Disk read bandwidth = 3.470385407569 MB/s
*** Minimum energy = -107.007920596515
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920596515
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596515
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920596515
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.007920596642
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.007920596667
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.007920599389
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599389
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599389
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.341452 seconds
*** |--> S.join = 0.002233 seconds
*** |--> S.solve = 0.088064 seconds
*** |--> S.split = 0.005955 seconds
*** |--> Tensor update = 0.24347 seconds
*** |--> create = 0.083445 seconds
*** |--> destroy = 0.005415 seconds
*** |--> disk write = 0.077522 seconds
*** |--> disk read = 0.055943 seconds
*** |--> calc = 0.020911 seconds
*** Disk write bandwidth = 2.50517579258751 MB/s
*** Disk read bandwidth = 3.49086770134612 MB/s
*** Minimum energy = -107.007920599389
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.70803440116651e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.007920599389
*** Minimum energy encountered during the last sweep = -107.007920599389
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.00792059939
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.007920599393
Stats: nIt(DAVIDSON) = 14
Energy at sites (6, 7) is -107.007920599396
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -107.007920599396
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -107.007920599397
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.007920599398
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 = 0.878326 seconds
*** |--> S.join = 0.010767 seconds
*** |--> S.solve = 0.61637 seconds
*** |--> S.split = 0.005737 seconds
*** |--> Tensor update = 0.241936 seconds
*** |--> create = 0.081779 seconds
*** |--> destroy = 0.005716 seconds
*** |--> disk write = 0.077041 seconds
*** |--> disk read = 0.0561330000000001 seconds
*** |--> calc = 0.021038 seconds
*** Disk write bandwidth = 2.53487898413061 MB/s
*** Disk read bandwidth = 3.45975162191525 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 = 0.695419 seconds
*** |--> S.join = 0.001995 seconds
*** |--> S.solve = 0.408388 seconds
*** |--> S.split = 0.007727 seconds
*** |--> Tensor update = 0.273634 seconds
*** |--> create = 0.083366 seconds
*** |--> destroy = 0.005335 seconds
*** |--> disk write = 0.077044 seconds
*** |--> disk read = 0.055665 seconds
*** |--> calc = 0.051998 seconds
*** Disk write bandwidth = 2.52071852179234 MB/s
*** Disk read bandwidth = 3.50830165842821 MB/s
*** Minimum energy = -107.007920599439
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.93685092806118e-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 = [ 1.99999761728755 , 1.99817458715669 , 1.9909952962978 ].
NOON of irrep B2g = [ 0.999157310996347 ].
NOON of irrep B3g = [ 0.999157310956473 ].
NOON of irrep B1u = [ 1.99999763398141 , 1.9935677257685 , 0.0151843203217542 ].
NOON of irrep B2u = [ 1.00188409864192 ].
NOON of irrep B3u = [ 1.00188409859154 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624840734203e-05 , 0.0439795130189684 , 0.0191227044799832 , 0.710073263055134 , 0.710073263385851 , 0.000114194275826919 , 0.0501988277413863 , 0.0847680568137474 , 0.709393186564133 , 0.709393186248606 ].
Idistance(0) = 1.96740723997218
Idistance(1) = 7.24682976433726
Idistance(2) = 34.6048709802863
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.6982 seconds
*** |--> MPS gauge change = 0.016158 seconds
*** |--> Diagram calc = 0.042324 seconds
*** |--> Tensor update = 0.631082 seconds
*** |--> create = 0.197264 seconds
*** |--> destroy = 0.013176 seconds
*** |--> disk write = 0.210645 seconds
*** |--> disk read = 0.133789 seconds
*** |--> calc = 0.075246 seconds
*** Disk write bandwidth = 1.9426170841159 MB/s
*** Disk read bandwidth = 3.05856666604574 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 = 0.006857 seconds
FCI::matvec : Wall time = 0.006691 seconds
FCI::matvec : Wall time = 0.006688 seconds
FCI::matvec : Wall time = 0.006686 seconds
FCI::matvec : Wall time = 0.006772 seconds
FCI::matvec : Wall time = 0.006679 seconds
FCI::matvec : Wall time = 0.006681 seconds
FCI::matvec : Wall time = 0.006677 seconds
FCI::matvec : Wall time = 0.00664 seconds
FCI::matvec : Wall time = 0.006639 seconds
FCI::matvec : Wall time = 0.006665 seconds
FCI::matvec : Wall time = 0.006685 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 = 5.77351253182e-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) = 10
Energy at sites (8, 9) is -102.809172251821
Stats: nIt(DAVIDSON) = 22
Energy at sites (7, 8) is -105.791825135805
Stats: nIt(DAVIDSON) = 54
Energy at sites (6, 7) is -105.903506935208
Stats: nIt(DAVIDSON) = 48
Energy at sites (5, 6) is -105.905353132906
Stats: nIt(DAVIDSON) = 23
Energy at sites (4, 5) is -106.128794590246
Stats: nIt(DAVIDSON) = 42
Energy at sites (3, 4) is -106.181353239709
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.1813533639
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.1813533639
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 2.085433 seconds
*** |--> S.join = 0.002043 seconds
*** |--> S.solve = 1.83332 seconds
*** |--> S.split = 0.005828 seconds
*** |--> Tensor update = 0.240684 seconds
*** |--> create = 0.082456 seconds
*** |--> destroy = 0.005526 seconds
*** |--> disk write = 0.075109 seconds
*** |--> disk read = 0.05615 seconds
*** |--> calc = 0.021217 seconds
*** Disk write bandwidth = 2.68754104711569 MB/s
*** Disk read bandwidth = 3.5756927245659 MB/s
*** Minimum energy = -106.1813533639
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.1813533639
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.1813533639
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.1813533639
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -106.181353363913
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -106.181698472075
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.191427197241
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.19142719768
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19142719768
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.634075 seconds
*** |--> S.join = 0.006743 seconds
*** |--> S.solve = 0.346276 seconds
*** |--> S.split = 0.010427 seconds
*** |--> Tensor update = 0.267042 seconds
*** |--> create = 0.083977 seconds
*** |--> destroy = 0.005279 seconds
*** |--> disk write = 0.086121 seconds
*** |--> disk read = 0.060852 seconds
*** |--> calc = 0.030576 seconds
*** Disk write bandwidth = 2.33131462110722 MB/s
*** Disk read bandwidth = 3.31720437303314 MB/s
*** Minimum energy = -106.19142719768
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 106.19142719768
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.19142719768
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19142719768
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.19142719768
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.19142719768
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -106.191444661991
Stats: nIt(DAVIDSON) = 10
Energy at sites (3, 4) is -106.191465451885
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -106.191465456452
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191465456452
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.45122 seconds
*** |--> S.join = 0.004088 seconds
*** |--> S.solve = 0.195893 seconds
*** |--> S.split = 0.005858 seconds
*** |--> Tensor update = 0.241876 seconds
*** |--> create = 0.0826230000000001 seconds
*** |--> destroy = 0.005228 seconds
*** |--> disk write = 0.075818 seconds
*** |--> disk read = 0.056762 seconds
*** |--> calc = 0.021212 seconds
*** Disk write bandwidth = 2.66240893333789 MB/s
*** Disk read bandwidth = 3.53714010225811 MB/s
*** Minimum energy = -106.191465456452
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191465456452
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191465456452
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191465456452
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191465456452
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -106.191465475078
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -106.191466497476
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466497476
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466497476
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.483819 seconds
*** |--> S.join = 0.005879 seconds
*** |--> S.solve = 0.202102 seconds
*** |--> S.split = 0.008416 seconds
*** |--> Tensor update = 0.263862 seconds
*** |--> create = 0.084148 seconds
*** |--> destroy = 0.005694 seconds
*** |--> disk write = 0.076538 seconds
*** |--> disk read = 0.055878 seconds
*** |--> calc = 0.041366 seconds
*** Disk write bandwidth = 2.62320868698392 MB/s
*** Disk read bandwidth = 3.61248649750908 MB/s
*** Minimum energy = -106.191466497476
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.92997964411279e-05
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -106.191466497476
*** Minimum energy encountered during the last sweep = -106.191466497476
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 9
Energy at sites (8, 9) is -106.191466497477
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -106.191466497478
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -106.19146649748
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -106.191466497482
Stats: nIt(DAVIDSON) = 17
Energy at sites (4, 5) is -106.191466554961
Stats: nIt(DAVIDSON) = 18
Energy at sites (3, 4) is -106.191466570271
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -106.191466570272
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466570272
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.881273 seconds
*** |--> S.join = 0.005957 seconds
*** |--> S.solve = 0.625101 seconds
*** |--> S.split = 0.005801 seconds
*** |--> Tensor update = 0.240837 seconds
*** |--> create = 0.082524 seconds
*** |--> destroy = 0.005539 seconds
*** |--> disk write = 0.075099 seconds
*** |--> disk read = 0.056236 seconds
*** |--> calc = 0.021197 seconds
*** Disk write bandwidth = 2.6878989135383 MB/s
*** Disk read bandwidth = 3.57022452671554 MB/s
*** Minimum energy = -106.191466570272
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466570272
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466570272
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466570272
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -106.191466570272
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -106.191466570279
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -106.191466575534
Stats: nIt(DAVIDSON) = 4
Energy at sites (6, 7) is -106.191466575534
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575534
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.724797 seconds
*** |--> S.join = 0.002019 seconds
*** |--> S.solve = 0.468285 seconds
*** |--> S.split = 0.007574 seconds
*** |--> Tensor update = 0.243356 seconds
*** |--> create = 0.083993 seconds
*** |--> destroy = 0.005542 seconds
*** |--> disk write = 0.076599 seconds
*** |--> disk read = 0.055926 seconds
*** |--> calc = 0.021058 seconds
*** Disk write bandwidth = 2.6211196815151 MB/s
*** Disk read bandwidth = 3.60938598340329 MB/s
*** Minimum energy = -106.191466575534
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 7.80578943704313e-08
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575534
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575534
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575534
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -106.191466575534
Stats: nIt(DAVIDSON) = 15
Energy at sites (4, 5) is -106.19146657586
Stats: nIt(DAVIDSON) = 16
Energy at sites (3, 4) is -106.19146657592
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.19146657592
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657592
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 0.538622 seconds
*** |--> S.join = 0.002082 seconds
*** |--> S.solve = 0.286253 seconds
*** |--> S.split = 0.00575 seconds
*** |--> Tensor update = 0.241005 seconds
*** |--> create = 0.082738 seconds
*** |--> destroy = 0.005594 seconds
*** |--> disk write = 0.074902 seconds
*** |--> disk read = 0.056227 seconds
*** |--> calc = 0.02132 seconds
*** Disk write bandwidth = 2.694968365435 MB/s
*** Disk read bandwidth = 3.57079599630738 MB/s
*** Minimum energy = -106.19146657592
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.19146657592
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657592
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.19146657592
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.19146657592
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -106.19146657592
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -106.191466575948
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -106.191466575948
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575948
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 0.635203 seconds
*** |--> S.join = 0.005448 seconds
*** |--> S.solve = 0.377847 seconds
*** |--> S.split = 0.005879 seconds
*** |--> Tensor update = 0.243435 seconds
*** |--> create = 0.084031 seconds
*** |--> destroy = 0.005529 seconds
*** |--> disk write = 0.076705 seconds
*** |--> disk read = 0.055962 seconds
*** |--> calc = 0.020968 seconds
*** Disk write bandwidth = 2.61749750973698 MB/s
*** Disk read bandwidth = 3.60706408827084 MB/s
*** Minimum energy = -106.191466575948
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.13734824178391e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575948
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575948
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575948
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -106.191466575948
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -106.19146657595
Stats: nIt(DAVIDSON) = 12
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 = 0.484219 seconds
*** |--> S.join = 0.002082 seconds
*** |--> S.solve = 0.231994 seconds
*** |--> S.split = 0.005797 seconds
*** |--> Tensor update = 0.240814 seconds
*** |--> create = 0.0825610000000001 seconds
*** |--> destroy = 0.005617 seconds
*** |--> disk write = 0.074902 seconds
*** |--> disk read = 0.056251 seconds
*** |--> calc = 0.021244 seconds
*** Disk write bandwidth = 2.694968365435 MB/s
*** Disk read bandwidth = 3.56927248376696 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) = 7
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 = 0.505101 seconds
*** |--> S.join = 0.002008 seconds
*** |--> S.solve = 0.236637 seconds
*** |--> S.split = 0.005658 seconds
*** |--> Tensor update = 0.257284 seconds
*** |--> create = 0.084257 seconds
*** |--> destroy = 0.005469 seconds
*** |--> disk write = 0.076709 seconds
*** |--> disk read = 0.055906 seconds
*** |--> calc = 0.034705 seconds
*** Disk write bandwidth = 2.61736102001558 MB/s
*** Disk read bandwidth = 3.61067721725419 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.1316282072803e-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 = [ 1.99999399659786 , 1.99366325754317 , 1.87190049591749 ].
NOON of irrep B2g = [ 0.58481430891702 ].
NOON of irrep B3g = [ 0.584814251319128 ].
NOON of irrep B1u = [ 1.99999783389172 , 1.12096429023807 , 1.0021941086616 ].
NOON of irrep B2u = [ 1.42082876346082 ].
NOON of irrep B3u = [ 1.42082869345313 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128098106465e-05 , 0.0722109499068377 , 0.460791895771662 , 1.13075779687649 , 1.13075778485639 , 6.17502963411348e-05 , 0.977139012835999 , 0.735936475220108 , 1.12042721610214 , 1.12042725091769 ].
Idistance(0) = 5.6523438932794
Idistance(1) = 19.8382957528533
Idistance(2) = 88.8195416434262
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.716214 seconds
*** |--> MPS gauge change = 0.034335 seconds
*** |--> Diagram calc = 0.046787 seconds
*** |--> Tensor update = 0.626541 seconds
*** |--> create = 0.199615 seconds
*** |--> destroy = 0.013611 seconds
*** |--> disk write = 0.180139 seconds
*** |--> disk read = 0.133832 seconds
*** |--> calc = 0.09838 seconds
*** Disk write bandwidth = 2.34452502271249 MB/s
*** Disk read bandwidth = 3.15575044134741 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 = 0.006753 seconds
FCI::matvec : Wall time = 0.006683 seconds
FCI::matvec : Wall time = 0.006684 seconds
FCI::matvec : Wall time = 0.006674 seconds
FCI::matvec : Wall time = 0.006665 seconds
FCI::matvec : Wall time = 0.006617 seconds
FCI::matvec : Wall time = 0.006619 seconds
FCI::matvec : Wall time = 0.006663 seconds
FCI::matvec : Wall time = 0.006665 seconds
FCI::matvec : Wall time = 0.006655 seconds
FCI::matvec : Wall time = 0.006668 seconds
FCI::matvec : Wall time = 0.006668 seconds
FCI::matvec : Wall time = 0.006668 seconds
FCI::matvec : Wall time = 0.006665 seconds
FCI::matvec : Wall time = 0.006651 seconds
FCI::matvec : Wall time = 0.006651 seconds
FCI::matvec : Wall time = 0.006665 seconds
FCI::matvec : Wall time = 0.006713 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 = 1.79314760486e-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) = 10
Energy at sites (8, 9) is -103.099839126625
Stats: nIt(DAVIDSON) = 32
Energy at sites (7, 8) is -106.582978958921
Stats: nIt(DAVIDSON) = 44
Energy at sites (6, 7) is -106.779022379703
Stats: nIt(DAVIDSON) = 76
Energy at sites (5, 6) is -106.929091150021
Stats: nIt(DAVIDSON) = 32
Energy at sites (4, 5) is -107.34144025725
Stats: nIt(DAVIDSON) = 18
Energy at sites (3, 4) is -107.341565271863
Stats: nIt(DAVIDSON) = 7
Energy at sites (2, 3) is -107.341566327812
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.341566327812
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 5.323406 seconds
*** |--> S.join = 0.0033 seconds
*** |--> S.solve = 4.997455 seconds
*** |--> S.split = 0.011721 seconds
*** |--> Tensor update = 0.3073 seconds
*** |--> create = 0.104519 seconds
*** |--> destroy = 0.005657 seconds
*** |--> disk write = 0.08394 seconds
*** |--> disk read = 0.061115 seconds
*** |--> calc = 0.051832 seconds
*** Disk write bandwidth = 9.75442722294198 MB/s
*** Disk read bandwidth = 13.3381765309892 MB/s
*** Minimum energy = -107.341566327812
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.341566327812
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.341566327812
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.341566327812
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.341566329378
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.341566395123
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -107.346314657107
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.346319268719
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346319268719
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.105112 seconds
*** |--> S.join = 0.005279 seconds
*** |--> S.solve = 0.769025 seconds
*** |--> S.split = 0.012244 seconds
*** |--> Tensor update = 0.314992 seconds
*** |--> create = 0.107424 seconds
*** |--> destroy = 0.00577 seconds
*** |--> disk write = 0.084876 seconds
*** |--> disk read = 0.060421 seconds
*** |--> calc = 0.056257 seconds
*** Disk write bandwidth = 9.60415969993174 MB/s
*** Disk read bandwidth = 13.5513583206791 MB/s
*** Minimum energy = -107.346319268719
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.346319268719
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346319268719
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346319268719
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346319268719
Stats: nIt(DAVIDSON) = 5
Energy at sites (5, 6) is -107.346319271761
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.346325822168
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.346326061156
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.346326061239
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326061239
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.744135 seconds
*** |--> S.join = 0.003396 seconds
*** |--> S.solve = 0.417661 seconds
*** |--> S.split = 0.011745 seconds
*** |--> Tensor update = 0.307779 seconds
*** |--> create = 0.105061 seconds
*** |--> destroy = 0.005753 seconds
*** |--> disk write = 0.084014 seconds
*** |--> disk read = 0.061105 seconds
*** |--> calc = 0.051592 seconds
*** Disk write bandwidth = 9.74583546901409 MB/s
*** Disk read bandwidth = 13.3403593599772 MB/s
*** Minimum energy = -107.346326061239
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326061239
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326061239
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326061239
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326061239
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.346326061513
Stats: nIt(DAVIDSON) = 5
Energy at sites (5, 6) is -107.346326113229
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.346326114163
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114163
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.644131 seconds
*** |--> S.join = 0.004397 seconds
*** |--> S.solve = 0.316295 seconds
*** |--> S.split = 0.01162 seconds
*** |--> Tensor update = 0.30818 seconds
*** |--> create = 0.107714 seconds
*** |--> destroy = 0.005704 seconds
*** |--> disk write = 0.084785 seconds
*** |--> disk read = 0.060641 seconds
*** |--> calc = 0.049087 seconds
*** Disk write bandwidth = 9.61446787393296 MB/s
*** Disk read bandwidth = 13.5021952324953 MB/s
*** Minimum energy = -107.346326114163
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 6.84544366436057e-06
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.346326114163
*** Minimum energy encountered during the last sweep = -107.346326114163
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.346326114165
Stats: nIt(DAVIDSON) = 9
Energy at sites (7, 8) is -107.346326114172
Stats: nIt(DAVIDSON) = 13
Energy at sites (6, 7) is -107.346326114177
Stats: nIt(DAVIDSON) = 19
Energy at sites (5, 6) is -107.346326114195
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.346326114997
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.346326115007
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -107.346326115007
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115007
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.822546 seconds
*** |--> S.join = 0.004346 seconds
*** |--> S.solve = 1.489621 seconds
*** |--> S.split = 0.011619 seconds
*** |--> Tensor update = 0.313375 seconds
*** |--> create = 0.104885 seconds
*** |--> destroy = 0.006021 seconds
*** |--> disk write = 0.089626 seconds
*** |--> disk read = 0.06106 seconds
*** |--> calc = 0.051526 seconds
*** Disk write bandwidth = 9.13559258578705 MB/s
*** Disk read bandwidth = 13.3501909382805 MB/s
*** Minimum energy = -107.346326115007
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115007
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115007
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115007
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.346326115007
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.346326115007
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 9
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115024
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 1.350533 seconds
*** |--> S.join = 0.003179 seconds
*** |--> S.solve = 1.011208 seconds
*** |--> S.split = 0.011684 seconds
*** |--> Tensor update = 0.320879 seconds
*** |--> create = 0.108073 seconds
*** |--> destroy = 0.005892 seconds
*** |--> disk write = 0.088616 seconds
*** |--> disk read = 0.060559 seconds
*** |--> calc = 0.057495 seconds
*** Disk write bandwidth = 9.19882028856421 MB/s
*** Disk read bandwidth = 13.5204778991356 MB/s
*** Minimum energy = -107.346326115024
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 8.61376747707254e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -107.346326115025
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115024
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 1.046485 seconds
*** |--> S.join = 0.003305 seconds
*** |--> S.solve = 0.702772 seconds
*** |--> S.split = 0.011712 seconds
*** |--> Tensor update = 0.325016 seconds
*** |--> create = 0.104561 seconds
*** |--> destroy = 0.005719 seconds
*** |--> disk write = 0.083719 seconds
*** |--> disk read = 0.061 seconds
*** |--> calc = 0.069771 seconds
*** Disk write bandwidth = 9.78017679491812 MB/s
*** Disk read bandwidth = 13.3633222736296 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115024
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.346326115024
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.346326115024
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 4
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115024
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 0.899082 seconds
*** |--> S.join = 0.00908 seconds
*** |--> S.solve = 0.566416 seconds
*** |--> S.split = 0.01202 seconds
*** |--> Tensor update = 0.307924 seconds
*** |--> create = 0.107359 seconds
*** |--> destroy = 0.005866 seconds
*** |--> disk write = 0.084913 seconds
*** |--> disk read = 0.060665 seconds
*** |--> calc = 0.048876 seconds
*** Disk write bandwidth = 9.59997478232316 MB/s
*** Disk read bandwidth = 13.4968535579618 MB/s
*** Minimum energy = -107.346326115024
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.27373675443232e-13
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.346326115025
*** Minimum energy encountered during the last sweep = -107.346326115024
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024
NOON of irrep Ag = [ 1.99999018535354 , 1.99292175263658 , 1.03221285711822 ].
NOON of irrep B2g = [ 1.02415310253955 ].
NOON of irrep B3g = [ 0.0896934287568201 ].
NOON of irrep B1u = [ 1.99999295584652 , 1.95039154280777 , 0.0159495095003397 ].
NOON of irrep B2u = [ 1.91962159298418 ].
NOON of irrep B3u = [ 1.97507307245645 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322994423804 , 0.0447141475076927 , 0.838966993490118 , 0.79065896056947 , 0.317368561017148 , 9.24989501872896e-05 , 0.227634117433853 , 0.0907424582860806 , 0.299652804731542 , 0.133979297117903 ].
Idistance(0) = 1.5721540786751
Idistance(1) = 5.15805448333556
Idistance(2) = 21.9866409985524
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.819334 seconds
*** |--> MPS gauge change = 0.016334 seconds
*** |--> Diagram calc = 0.05495 seconds
*** |--> Tensor update = 0.739525 seconds
*** |--> create = 0.251868 seconds
*** |--> destroy = 0.014623 seconds
*** |--> disk write = 0.199014 seconds
*** |--> disk read = 0.143653 seconds
*** |--> calc = 0.129276 seconds
*** Disk write bandwidth = 8.34547209588977 MB/s
*** Disk read bandwidth = 11.5616505307331 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 = 0.017496 seconds
FCI::matvec : Wall time = 0.017371 seconds
FCI::matvec : Wall time = 0.017245 seconds
FCI::matvec : Wall time = 0.018778 seconds
FCI::matvec : Wall time = 0.019333 seconds
FCI::matvec : Wall time = 0.057821 seconds
FCI::matvec : Wall time = 0.018632 seconds
FCI::matvec : Wall time = 0.049669 seconds
FCI::matvec : Wall time = 0.018852 seconds
FCI::matvec : Wall time = 0.053882 seconds
FCI::matvec : Wall time = 0.019029 seconds
FCI::matvec : Wall time = 0.0438 seconds
FCI::matvec : Wall time = 0.068704 seconds
FCI::matvec : Wall time = 0.017287 seconds
FCI::matvec : Wall time = 0.017272 seconds
FCI::matvec : Wall time = 0.01734 seconds
FCI::matvec : Wall time = 0.017315 seconds
FCI::matvec : Wall time = 0.01732 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 = 1.0864711442e-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 -99.7068907391939
Stats: nIt(DAVIDSON) = 27
Energy at sites (7, 8) is -106.422437915296
Stats: nIt(DAVIDSON) = 46
Energy at sites (6, 7) is -106.953462799165
Stats: nIt(DAVIDSON) = 57
Energy at sites (5, 6) is -107.185964382792
Stats: nIt(DAVIDSON) = 42
Energy at sites (4, 5) is -107.189968248961
Stats: nIt(DAVIDSON) = 30
Energy at sites (3, 4) is -107.19953020403
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.199542859243
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199542859243
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 4.955273 seconds
*** |--> S.join = 0.006047 seconds
*** |--> S.solve = 4.613685 seconds
*** |--> S.split = 0.012079 seconds
*** |--> Tensor update = 0.319799 seconds
*** |--> create = 0.104172 seconds
*** |--> destroy = 0.005575 seconds
*** |--> disk write = 0.094095 seconds
*** |--> disk read = 0.061697 seconds
*** |--> calc = 0.054026 seconds
*** Disk write bandwidth = 8.93967685895073 MB/s
*** Disk read bandwidth = 13.5752942872526 MB/s
*** Minimum energy = -107.199542859243
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199542859243
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199542859243
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199542859243
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.19954286429
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.199555170185
Stats: nIt(DAVIDSON) = 16
Energy at sites (5, 6) is -107.199615943564
Stats: nIt(DAVIDSON) = 8
Energy at sites (6, 7) is -107.19961728747
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617287469
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.286872 seconds
*** |--> S.join = 0.005381 seconds
*** |--> S.solve = 0.956177 seconds
*** |--> S.split = 0.011852 seconds
*** |--> Tensor update = 0.309742 seconds
*** |--> create = 0.106453 seconds
*** |--> destroy = 0.005744 seconds
*** |--> disk write = 0.084553 seconds
*** |--> disk read = 0.060836 seconds
*** |--> calc = 0.051907 seconds
*** Disk write bandwidth = 9.90567965229649 MB/s
*** Disk read bandwidth = 13.8269921435165 MB/s
*** Minimum energy = -107.19961728747
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.199617287469
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.199617287469
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617287469
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.19961728747
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.1996172912
Stats: nIt(DAVIDSON) = 5
Energy at sites (4, 5) is -107.199617352726
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.199617420058
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.199617421469
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421469
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.783249 seconds
*** |--> S.join = 0.002988 seconds
*** |--> S.solve = 0.458907 seconds
*** |--> S.split = 0.011975 seconds
*** |--> Tensor update = 0.305788 seconds
*** |--> create = 0.103887 seconds
*** |--> destroy = 0.005908 seconds
*** |--> disk write = 0.083685 seconds
*** |--> disk read = 0.061116 seconds
*** |--> calc = 0.050952 seconds
*** Disk write bandwidth = 10.0517284345219 MB/s
*** Disk read bandwidth = 13.7043479880985 MB/s
*** Minimum energy = -107.199617421469
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421469
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421469
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421469
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421469
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.199617421535
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -107.199617421871
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.199617421899
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421899
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.555287 seconds
*** |--> S.join = 0.002927 seconds
*** |--> S.solve = 0.201136 seconds
*** |--> S.split = 0.012112 seconds
*** |--> Tensor update = 0.335433 seconds
*** |--> create = 0.106424 seconds
*** |--> destroy = 0.005743 seconds
*** |--> disk write = 0.084408 seconds
*** |--> disk read = 0.060903 seconds
*** |--> calc = 0.077725 seconds
*** Disk write bandwidth = 9.92269609089926 MB/s
*** Disk read bandwidth = 13.8117809310374 MB/s
*** Minimum energy = -107.199617421899
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.34429996023755e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.199617421899
*** Minimum energy encountered during the last sweep = -107.199617421899
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -107.199617421903
Stats: nIt(DAVIDSON) = 11
Energy at sites (7, 8) is -107.199617421906
Stats: nIt(DAVIDSON) = 17
Energy at sites (6, 7) is -107.199617421909
Stats: nIt(DAVIDSON) = 24
Energy at sites (5, 6) is -107.199617421915
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.199617421916
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.199617421919
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421919
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 2.087636 seconds
*** |--> S.join = 0.003469 seconds
*** |--> S.solve = 1.761658 seconds
*** |--> S.split = 0.011888 seconds
*** |--> Tensor update = 0.307047 seconds
*** |--> create = 0.103905 seconds
*** |--> destroy = 0.006119 seconds
*** |--> disk write = 0.0848130000000001 seconds
*** |--> disk read = 0.061113 seconds
*** |--> calc = 0.050849 seconds
*** Disk write bandwidth = 9.9180419752039 MB/s
*** Disk read bandwidth = 13.705020726206 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421919
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.199617421919
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.199617421919
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.199617421919
Stats: nIt(DAVIDSON) = 10
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 = 1.309209 seconds
*** |--> S.join = 0.003086 seconds
*** |--> S.solve = 0.976383 seconds
*** |--> S.split = 0.011946 seconds
*** |--> Tensor update = 0.314156 seconds
*** |--> create = 0.106443 seconds
*** |--> destroy = 0.00643 seconds
*** |--> disk write = 0.086352 seconds
*** |--> disk read = 0.060889 seconds
*** |--> calc = 0.053787 seconds
*** Disk write bandwidth = 9.69931132620698 MB/s
*** Disk read bandwidth = 13.8149566266973 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.94120275409659e-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 = [ 1.99998814651 , 1.98924041563357 , 1.87687857990251 ].
NOON of irrep B2g = [ 0.139387811311506 ].
NOON of irrep B3g = [ 1.03112739713113 ].
NOON of irrep B1u = [ 1.99999431244151 , 1.10839164066131 , 0.0211636956846769 ].
NOON of irrep B2u = [ 1.96715797356367 ].
NOON of irrep B3u = [ 1.86667002716011 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980013646387 , 0.0818410216566286 , 0.449623198245642 , 0.48664505566053 , 0.811029481729297 , 6.68868115599402e-05 , 0.96204661363161 , 0.112095070381413 , 0.167176150422586 , 0.47508246134308 ].
Idistance(0) = 2.38445939148852
Idistance(1) = 9.5799827384419
Idistance(2) = 47.8783646815001
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.867309 seconds
*** |--> MPS gauge change = 0.017845 seconds
*** |--> Diagram calc = 0.079929 seconds
*** |--> Tensor update = 0.761036 seconds
*** |--> create = 0.249783 seconds
*** |--> destroy = 0.014658 seconds
*** |--> disk write = 0.197821 seconds
*** |--> disk read = 0.144352 seconds
*** |--> calc = 0.153354 seconds
*** Disk write bandwidth = 8.62219041249333 MB/s
*** Disk read bandwidth = 11.8159106184178 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 = 0.125883 seconds
FCI::matvec : Wall time = 0.017285 seconds
FCI::matvec : Wall time = 0.017316 seconds
FCI::matvec : Wall time = 0.017272 seconds
FCI::matvec : Wall time = 0.0173 seconds
FCI::matvec : Wall time = 0.017266 seconds
FCI::matvec : Wall time = 0.017267 seconds
FCI::matvec : Wall time = 0.017287 seconds
FCI::matvec : Wall time = 0.017295 seconds
FCI::matvec : Wall time = 0.017309 seconds
FCI::matvec : Wall time = 0.017322 seconds
FCI::matvec : Wall time = 0.017332 seconds
FCI::matvec : Wall time = 0.017371 seconds
FCI::matvec : Wall time = 0.01735 seconds
FCI::matvec : Wall time = 0.017327 seconds
FCI::matvec : Wall time = 0.017358 seconds
FCI::matvec : Wall time = 0.017371 seconds
FCI::matvec : Wall time = 0.017382 seconds
FCI::matvec : Wall time = 0.017356 seconds
FCI::matvec : Wall time = 0.017357 seconds
FCI::matvec : Wall time = 0.017422 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 = 4.98521890786e-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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make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 65%] Built target chemps2-base
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 66%] Built target chemps2-shared
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 68%] Built target chemps2bin
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 69%] Built target chemps2-static
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 71%] Built target test14
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 73%] Built target test13
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 76%] Built target test12
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 78%] Built target test11
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 80%] Built target test3
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 82%] Built target test4
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 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'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 93%] Built target test7
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 95%] Built target test8
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 97%] Built target test9
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[100%] Built target test10
make[3]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Install the project...
-- Install configuration: "release"
-- 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/lib/arm-linux-gnueabihf/libchemps2.a
-- 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/bin/chemps2
-- Set runtime path of "/<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2" to ""
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.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/st4lTwvb/CASPT2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/CASSCF.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/CASSCFdebug.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/CASSCFpt2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/ConjugateGradient.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/ConvergenceScheme.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Correlations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Cumulant.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Davidson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DIIS.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRG.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGfock.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGmpsio.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGoperators.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGSCFindices.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGSCFoptions.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGSCFrotations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGSCFunitary.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/DMRGtechnics.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Excitation.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/FCI.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/FourIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Hamiltonian.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Heff.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/HeffDiagonal.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/HeffDiagrams1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/HeffDiagrams2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/HeffDiagrams3.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/HeffDiagrams4.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/HeffDiagrams5.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Initialize.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Irreps.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Molden.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/PrintLicense.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Problem.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Sobject.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/SyBookkeeper.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Tensor3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorF0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorF1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorGYZ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorKM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorL.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorO.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorOperator.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorQ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorS0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorS1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorT.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TensorX.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/ThreeDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TwoDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/TwoIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/st4lTwvb/Wigner.cpp.o: plugin needed to handle lto object
dh_makeshlibs -a
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 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: 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 libhdf5_cpp.so.11 (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 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 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 libpthread.so.0 (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-dev' in '../libchemps2-dev_1.8-2_armhf.deb'.
dpkg-deb: building package 'libchemps2-2-dbgsym' in '../libchemps2-2-dbgsym_1.8-2_armhf.deb'.
dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8-2_armhf.deb'.
dpkg-deb: building package 'python-chemps2-dbgsym' in '../python-chemps2-dbgsym_1.8-2_armhf.deb'.
dpkg-deb: building package 'chemps2' in '../chemps2_1.8-2_armhf.deb'.
dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.8-2_armhf.deb'.
dpkg-deb: building package 'libchemps2-2' in '../libchemps2-2_1.8-2_armhf.deb'.
dpkg-genchanges --build=any -mRaspbian wandboard test autobuilder <root@raspbian.org> >../chemps2_1.8-2_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
dpkg-buildpackage: info: binary-only upload (no source included)
--------------------------------------------------------------------------------
Build finished at 20160915-1317
Finished
--------
I: Built successfully
+------------------------------------------------------------------------------+
| Post Build Chroot |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Changes |
+------------------------------------------------------------------------------+
chemps2_1.8-2_armhf.changes:
----------------------------
Format: 1.8
Date: Thu, 08 Sep 2016 21:58:29 +0200
Source: chemps2
Binary: libchemps2-2 libchemps2-dev chemps2-doc chemps2 python-chemps2
Architecture: armhf
Version: 1.8-2
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
Closes: 808312
Changes:
chemps2 (1.8-2) unstable; urgency=medium
.
* Fix overwriting chemps2.1.gz libchemps2-1 (Closes: #808312)
Checksums-Sha1:
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09ef0e5254eba53d83ea020ecb5edc5c153ead05 380834 libchemps2-2_1.8-2_armhf.deb
705c41c50068401ec15f03fc004234493ae5d1b6 6542698 libchemps2-dev_1.8-2_armhf.deb
a200843d5652ed34a77a63f141b5250f2c3d4b39 275572 python-chemps2-dbgsym_1.8-2_armhf.deb
2256bb8471445b73c8c0de1d72341713c7ebbd60 68856 python-chemps2_1.8-2_armhf.deb
Checksums-Sha256:
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Files:
fd54d071f26e075089b91c0e32621076 69398 debug extra chemps2-dbgsym_1.8-2_armhf.deb
7affa073cc4a6298a072e42bd29242e1 23764 science optional chemps2_1.8-2_armhf.deb
b6338dbd2cee34f1c758620051872d1e 1209284 debug extra libchemps2-2-dbgsym_1.8-2_armhf.deb
971a162e32571969f4de5433e4ddfd6d 380834 libs optional libchemps2-2_1.8-2_armhf.deb
18a662c1cd541783643b8a044ae9768f 6542698 libdevel optional libchemps2-dev_1.8-2_armhf.deb
d72d7c5a61418cb066eff4870559bf34 275572 debug extra python-chemps2-dbgsym_1.8-2_armhf.deb
f48fb32b547659ff6ed3eb7d9300a7f3 68856 python optional python-chemps2_1.8-2_armhf.deb
+------------------------------------------------------------------------------+
| Package contents |
+------------------------------------------------------------------------------+
chemps2-dbgsym_1.8-2_armhf.deb
------------------------------
new debian package, version 2.0.
size 69398 bytes: control archive=490 bytes.
401 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: chemps2-dbgsym
Source: chemps2
Version: 1.8-2
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 88
Depends: chemps2 (= 1.8-2)
Section: debug
Priority: extra
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Debug symbols for chemps2
Auto-Built-Package: debug-symbols
Build-Ids: 915ba2961575135e844284eb6ab38f730319e9ac
drwxr-xr-x root/root 0 2016-09-08 19:58 ./
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/debug/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/debug/.build-id/91/
-rw-r--r-- root/root 79380 2016-09-08 19:58 ./usr/lib/debug/.build-id/91/5ba2961575135e844284eb6ab38f730319e9ac.debug
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/
lrwxrwxrwx root/root 0 2016-09-08 19:58 ./usr/share/doc/chemps2-dbgsym -> chemps2
chemps2_1.8-2_armhf.deb
-----------------------
new debian package, version 2.0.
size 23764 bytes: control archive=1300 bytes.
1826 bytes, 38 lines control
327 bytes, 5 lines md5sums
Package: chemps2
Version: 1.8-2
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 65
Depends: libc6 (>= 2.4), libchemps2-2 (= 1.8-2), libgcc1 (>= 1:3.5), libgomp1 (>= 4.2.1), libstdc++6 (>= 5.2)
Suggests: chemps2-doc
Breaks: libchemps2-1 (<< 1.7-1~)
Replaces: libchemps2-1 (<< 1.7-1~)
Section: science
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Executable to call libchemps2-2 from the command line
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the executable which parses Hamiltonians in
fcidump format, performs DMRG-SCF and DMRG-CASPT2 calculations as
specified by the user.
drwxr-xr-x root/root 0 2016-09-08 19:58 ./
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/bin/
-rwxr-xr-x root/root 47008 2016-09-08 19:58 ./usr/bin/chemps2
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/chemps2/
lrwxrwxrwx root/root 0 2016-09-08 19:58 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 1040 2016-09-08 19:58 ./usr/share/doc/chemps2/changelog.Debian.gz
-rw-r--r-- root/root 1222 2016-08-24 07:54 ./usr/share/doc/chemps2/changelog.gz
-rw-r--r-- root/root 1292 2016-08-24 09:15 ./usr/share/doc/chemps2/copyright
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/man/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/man/man1/
-rw-r--r-- root/root 2870 2016-09-08 19:58 ./usr/share/man/man1/chemps2.1.gz
libchemps2-2-dbgsym_1.8-2_armhf.deb
-----------------------------------
new debian package, version 2.0.
size 1209284 bytes: control archive=496 bytes.
418 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: libchemps2-2-dbgsym
Source: chemps2
Version: 1.8-2
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 1333
Depends: libchemps2-2 (= 1.8-2)
Section: debug
Priority: extra
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Debug symbols for libchemps2-2
Auto-Built-Package: debug-symbols
Build-Ids: a32902f230bc7a76a44be46a8fa8ef3917bab984
drwxr-xr-x root/root 0 2016-09-08 19:58 ./
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/debug/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/debug/.build-id/a3/
-rw-r--r-- root/root 1354160 2016-09-08 19:58 ./usr/lib/debug/.build-id/a3/2902f230bc7a76a44be46a8fa8ef3917bab984.debug
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/
lrwxrwxrwx root/root 0 2016-09-08 19:58 ./usr/share/doc/libchemps2-2-dbgsym -> libchemps2-2
libchemps2-2_1.8-2_armhf.deb
----------------------------
new debian package, version 2.0.
size 380834 bytes: control archive=10258 bytes.
1710 bytes, 33 lines control
451 bytes, 6 lines md5sums
26 bytes, 1 lines shlibs
64090 bytes, 1065 lines symbols
60 bytes, 2 lines triggers
Package: libchemps2-2
Source: chemps2
Version: 1.8-2
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 1274
Depends: libblas3 | libblas.so.3, libc6 (>= 2.4), libgcc1 (>= 1:3.5), libgomp1 (>= 4.9), libhdf5-10, libhdf5-cpp-11 (>= 1.8.13), liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2), libsz2, zlib1g (>= 1:1.1.4)
Suggests: chemps2-doc
Section: libs
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Spin-adapted DMRG for ab initio quantum chemistry
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This 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 2016-09-08 19:58 ./
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/
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-rw-r--r-- root/root 1213532 2016-09-08 19:58 ./usr/lib/arm-linux-gnueabihf/libchemps2.so.2
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/libchemps2-2/
lrwxrwxrwx root/root 0 2016-09-08 19:58 ./usr/share/doc/libchemps2-2/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 5460 2016-08-24 07:54 ./usr/share/doc/libchemps2-2/FILES.md.gz
-rw-r--r-- root/root 1960 2016-08-24 07:54 ./usr/share/doc/libchemps2-2/README.md.gz
-rw-r--r-- root/root 1040 2016-09-08 19:58 ./usr/share/doc/libchemps2-2/changelog.Debian.gz
-rw-r--r-- root/root 1222 2016-08-24 07:54 ./usr/share/doc/libchemps2-2/changelog.gz
-rw-r--r-- root/root 1292 2016-08-24 09:15 ./usr/share/doc/libchemps2-2/copyright
libchemps2-dev_1.8-2_armhf.deb
------------------------------
new debian package, version 2.0.
size 6542698 bytes: control archive=2617 bytes.
1637 bytes, 36 lines control
3675 bytes, 55 lines md5sums
Package: libchemps2-dev
Source: chemps2
Version: 1.8-2
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 7492
Depends: libchemps2-2 (= 1.8-2)
Suggests: chemps2-doc
Section: libdevel
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: C++ headers, static library, and symlink for libchemps2-2
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the C++ headers, static library, and symlink
for libchemps2.
drwxr-xr-x root/root 0 2016-09-08 19:58 ./
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/include/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/include/chemps2/
-rw-r--r-- root/root 12630 2016-08-24 07:54 ./usr/include/chemps2/CASPT2.h
-rw-r--r-- root/root 31090 2016-08-24 07:54 ./usr/include/chemps2/CASSCF.h
-rw-r--r-- root/root 3717 2016-08-24 07:54 ./usr/include/chemps2/ConjugateGradient.h
-rw-r--r-- root/root 5460 2016-08-24 07:54 ./usr/include/chemps2/ConvergenceScheme.h
-rw-r--r-- root/root 14687 2016-08-24 07:54 ./usr/include/chemps2/Correlations.h
-rw-r--r-- root/root 10202 2016-08-24 07:54 ./usr/include/chemps2/Cumulant.h
-rw-r--r-- root/root 4326 2016-08-24 07:54 ./usr/include/chemps2/DIIS.h
-rw-r--r-- root/root 15179 2016-08-24 07:54 ./usr/include/chemps2/DMRG.h
-rw-r--r-- root/root 6579 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFindices.h
-rw-r--r-- root/root 10507 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFintegrals.h
-rw-r--r-- root/root 4031 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFmatrix.h
-rw-r--r-- root/root 10336 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFoptions.h
-rw-r--r-- root/root 5093 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFrotations.h
-rw-r--r-- root/root 9459 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFunitary.h
-rw-r--r-- root/root 5006 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFwtilde.h
-rw-r--r-- root/root 5042 2016-08-24 07:54 ./usr/include/chemps2/Davidson.h
-rw-r--r-- root/root 13377 2016-08-24 07:54 ./usr/include/chemps2/EdmistonRuedenberg.h
-rw-r--r-- root/root 4697 2016-08-24 07:54 ./usr/include/chemps2/Excitation.h
-rw-r--r-- root/root 43118 2016-08-24 07:54 ./usr/include/chemps2/FCI.h
-rw-r--r-- root/root 8751 2016-08-24 07:54 ./usr/include/chemps2/FourIndex.h
-rw-r--r-- root/root 9982 2016-08-24 07:54 ./usr/include/chemps2/Hamiltonian.h
-rw-r--r-- root/root 18516 2016-08-24 07:54 ./usr/include/chemps2/Heff.h
-rw-r--r-- root/root 1296 2016-08-24 07:54 ./usr/include/chemps2/Initialize.h
-rw-r--r-- root/root 7775 2016-08-24 07:54 ./usr/include/chemps2/Irreps.h
-rw-r--r-- root/root 2404 2016-08-24 07:54 ./usr/include/chemps2/Lapack.h
-rw-r--r-- root/root 12471 2016-08-24 07:54 ./usr/include/chemps2/MPIchemps2.h
-rw-r--r-- root/root 2611 2016-08-24 07:54 ./usr/include/chemps2/Molden.h
-rw-r--r-- root/root 1184 2016-08-24 07:54 ./usr/include/chemps2/MyHDF5.h
-rw-r--r-- root/root 3732 2016-08-24 07:54 ./usr/include/chemps2/Options.h
-rw-r--r-- root/root 6815 2016-08-24 07:54 ./usr/include/chemps2/Problem.h
-rw-r--r-- root/root 9088 2016-08-24 07:54 ./usr/include/chemps2/Sobject.h
-rw-r--r-- root/root 3216 2016-08-24 07:54 ./usr/include/chemps2/Special.h
-rw-r--r-- root/root 8295 2016-08-24 07:54 ./usr/include/chemps2/SyBookkeeper.h
-rw-r--r-- root/root 3691 2016-08-24 07:54 ./usr/include/chemps2/Tensor.h
-rw-r--r-- root/root 5235 2016-08-24 07:54 ./usr/include/chemps2/Tensor3RDM.h
-rw-r--r-- root/root 2838 2016-08-24 07:54 ./usr/include/chemps2/TensorF0.h
-rw-r--r-- root/root 2844 2016-08-24 07:54 ./usr/include/chemps2/TensorF1.h
-rw-r--r-- root/root 2013 2016-08-24 07:54 ./usr/include/chemps2/TensorGYZ.h
-rw-r--r-- root/root 2117 2016-08-24 07:54 ./usr/include/chemps2/TensorKM.h
-rw-r--r-- root/root 3017 2016-08-24 07:54 ./usr/include/chemps2/TensorL.h
-rw-r--r-- root/root 2824 2016-08-24 07:54 ./usr/include/chemps2/TensorO.h
-rw-r--r-- root/root 9639 2016-08-24 07:54 ./usr/include/chemps2/TensorOperator.h
-rw-r--r-- root/root 4807 2016-08-24 07:54 ./usr/include/chemps2/TensorQ.h
-rw-r--r-- root/root 2855 2016-08-24 07:54 ./usr/include/chemps2/TensorS0.h
-rw-r--r-- root/root 2513 2016-08-24 07:54 ./usr/include/chemps2/TensorS1.h
-rw-r--r-- root/root 5836 2016-08-24 07:54 ./usr/include/chemps2/TensorT.h
-rw-r--r-- root/root 4012 2016-08-24 07:54 ./usr/include/chemps2/TensorX.h
-rw-r--r-- root/root 13695 2016-08-24 07:54 ./usr/include/chemps2/ThreeDM.h
-rw-r--r-- root/root 9993 2016-08-24 07:54 ./usr/include/chemps2/TwoDM.h
-rw-r--r-- root/root 3140 2016-08-24 07:54 ./usr/include/chemps2/TwoIndex.h
-rw-r--r-- root/root 3713 2016-08-24 07:54 ./usr/include/chemps2/Wigner.h
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drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/arm-linux-gnueabihf/
-rw-r--r-- root/root 7231540 2016-09-08 19:58 ./usr/lib/arm-linux-gnueabihf/libchemps2.a
lrwxrwxrwx root/root 0 2016-09-08 19:58 ./usr/lib/arm-linux-gnueabihf/libchemps2.so -> libchemps2.so.2
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/libchemps2-dev/
lrwxrwxrwx root/root 0 2016-09-08 19:58 ./usr/share/doc/libchemps2-dev/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 1040 2016-09-08 19:58 ./usr/share/doc/libchemps2-dev/changelog.Debian.gz
-rw-r--r-- root/root 1222 2016-08-24 07:54 ./usr/share/doc/libchemps2-dev/changelog.gz
-rw-r--r-- root/root 1292 2016-08-24 09:15 ./usr/share/doc/libchemps2-dev/copyright
python-chemps2-dbgsym_1.8-2_armhf.deb
-------------------------------------
new debian package, version 2.0.
size 275572 bytes: control archive=496 bytes.
423 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: python-chemps2-dbgsym
Source: chemps2
Version: 1.8-2
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 317
Depends: python-chemps2 (= 1.8-2)
Section: debug
Priority: extra
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Debug symbols for python-chemps2
Auto-Built-Package: debug-symbols
Build-Ids: d6ddd6430e93351c54a4bdb9136b068c8b8640f8
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drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/
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drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/debug/.build-id/d6/
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drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/
lrwxrwxrwx root/root 0 2016-09-08 19:58 ./usr/share/doc/python-chemps2-dbgsym -> python-chemps2
python-chemps2_1.8-2_armhf.deb
------------------------------
new debian package, version 2.0.
size 68856 bytes: control archive=1295 bytes.
1761 bytes, 35 lines control
418 bytes, 5 lines md5sums
Package: python-chemps2
Source: chemps2
Version: 1.8-2
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 251
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 (= 1.8-2), 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.
drwxr-xr-x root/root 0 2016-09-08 19:58 ./
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/python2.7/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/lib/python2.7/dist-packages/
-rw-r--r-- root/root 793 2016-09-08 19:58 ./usr/lib/python2.7/dist-packages/CheMPS2-1.8.egg-info
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drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-09-08 19:58 ./usr/share/doc/python-chemps2/
lrwxrwxrwx root/root 0 2016-09-08 19:58 ./usr/share/doc/python-chemps2/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 1040 2016-09-08 19:58 ./usr/share/doc/python-chemps2/changelog.Debian.gz
-rw-r--r-- root/root 1222 2016-08-24 07:54 ./usr/share/doc/python-chemps2/changelog.gz
-rw-r--r-- root/root 1292 2016-08-24 09:15 ./usr/share/doc/python-chemps2/copyright
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+------------------------------------------------------------------------------+
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+------------------------------------------------------------------------------+
| Summary |
+------------------------------------------------------------------------------+
Build Architecture: armhf
Build-Space: 67188
Build-Time: 1109
Distribution: stretch-staging
Host Architecture: armhf
Install-Time: 720
Job: chemps2_1.8-2
Machine Architecture: armhf
Package: chemps2
Package-Time: 1874
Source-Version: 1.8-2
Space: 67188
Status: successful
Version: 1.8-2
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Finished at 20160915-1317
Build needed 00:31:14, 67188k disc space