[gpaw-users] [gpaw-developers] gpaw tests fail on Ubuntu 12.04
Marcin Dulak
Marcin.Dulak at fysik.dtu.dk
Fri Jan 25 15:26:17 CET 2013
On 01/25/13 15:04, Stefan Taubert wrote:
> Hi Marcin and gpaw-community,
>
> since you apparently wanted to take the conversation to
> gpaw-users-list, I switch to this email address.
yes, let's continue on gpaw-users.
>
>> What do you get from:
>> which gpaw-python
> /usr/bin/gpaw-python
>> gpaw-python -c "from gpaw.version import version; print version; import gpaw; print gpaw.__file__"
> 0.9.0.8965
> /usr/lib/python2.7/dist-packages/gpaw/__init__.py
>> gpaw-python -c "from ase.version import version; print version; import ase; print ase.__file__"
> 3.6.0.2515
> /usr/lib/python2.7/dist-packages/ase/__init__.py
>> echo $GPAW_SETUP_PATH
> /l/Programs/GPAW/gpaw-setups/gpaw-setups-0.8.7929
>
ValueError: Too few bands! Electrons: 21.000000, bands: 3
means that new (0.9) setups are being used with 0.9.0.8965 GPAW release.
> I.e., it is GPAW 0.9.0 rev 8965 in combination with ASE 3.6.0 rev
> 2515, as suggested on the GPAW web page, in combination with setups
> version 0.8 rev 7929 as you suggested below.
i was about the try this on my Ubuntu 12.04 x86_64 but it keeps freezing
(https://bugs.launchpad.net/ubuntu/+source/xserver-xorg-video-intel/+bug/993187)
Anybody with working Ubuntu 12.04 who can confirm if the installation
from the repository
https://wiki.fysik.dtu.dk/gpaw/install/installationguide.html#installation-with-package-manager-on-linux
fails and diagnose that?
Best regards,
Marcin
>
>
> Best Regards,
> Stefan
>
>
> 2013/1/25 Marcin Dulak <Marcin.Dulak at fysik.dtu.dk>:
>> Hi,
>>
>> On 01/25/13 14:27, Taubert Stefan wrote:
>>
>>
>> Hi Marcin,
>>
>> Thank you for a very fast reply!
>>
>> so it is apparently an error on this page
>> https://wiki.fysik.dtu.dk/gpaw/setups/setups.html#setups
>> that one should use the newest setups for version 0.9? Or did I
>> misunderstand something :) ?
>>
>> the details are described in the link
>> https://listserv.fysik.dtu.dk/pipermail/gpaw-developers/2013-January/003496.html
>>
>>
>> Anyway, simply changing to using the older setups 0.8 (revision 7929, as
>> suggested on the web page) does not help. Tests keep failing (not all tests
>> through yet, though).
>>
>> the versions installed from the repository should work.
>> What do you get from:
>> which gpaw-python
>> gpaw-python -c "from gpaw.version import version; print version; import
>> gpaw; print gpaw.__file__"
>> gpaw-python -c "from ase.version import version; print version; import ase;
>> print ase.__file__"
>> echo $GPAW_SETUP_PATH
>>
>> Best regards,
>>
>> Marcin
>>
>>
>> Can there be any version problems between ase and gpaw causing this? From
>> the repo, both should be new versions? Also, when installing by hand, I have
>> used the recommended combination (GPAW 0.9/ASE 3.6.0), with the same tests
>> failing.
>>
>> Regards,
>> Stefan
>>
>>
>>
>> ________________________________
>> From: Marcin Dulak [Marcin.Dulak at fysik.dtu.dk]
>> Sent: Friday, January 25, 2013 15:00
>> To: Taubert Stefan
>> Cc: gpaw-developers at listserv.fysik.dtu.dk
>> Subject: Re: [gpaw-developers] gpaw tests fail on Ubuntu 12.04
>>
>> Hi,
>>
>> it looks like if you use the latest 0.9 setups from
>> https://wiki.fysik.dtu.dk/gpaw/setups/setups.html
>> and not the ones (0.8 version) available from the repository.
>> The problem and solution is described here:
>> https://listserv.fysik.dtu.dk/pipermail/gpaw-developers/2013-January/003496.html
>>
>> Best regards,
>>
>> Marcin
>>
>> On 01/25/13 13:51, Taubert Stefan wrote:
>>
>> Dear gpaw-developers,
>>
>> I (on my personal work computer where I have sudo rights) and our computer
>> support installed gpaw from the opensuse repo as described on
>> https://wiki.fysik.dtu.dk/ase/download.html#installation-with-package-manager-on-linux
>>
>> 19 tests fail, as seen in attached test_centrally_installed.log
>>
>> If I install by hand, not system-wide but user-wise using svn and compiling
>> as in "Developer installation" instructions, then 17 tests fail, as seen in
>> test_0.9.0_new.log
>>
>> The following library and compiler versions are relevant, I hope I managed
>> to find them all for you. (google just taught me the dpkg -l command)
>>
>> mpi-default-dev 1.0.1
>> mpich2 1.4.1-1ubuntu1
>> libblas-dev 1.2.20110419-2ubuntu1
>> libblas3gf 1.2.20110419-2ubuntu1
>> gcc (Ubuntu/Linaro 4.6.3-1ubuntu5) 4.6.3
>> python-numpy 1:1.6.1-6ubuntu1
>> python 2.7 2.7.3-0ubuntu3.1
>> liblapack-dev 3.3.1-1
>> liblapack3gf 3.3.1-1
>>
>> Please ask, if you need more info. I hope you can provide som help.
>>
>> Sincerely,
>> Stefan Taubert
>> Aalto University
>>
>>
>>
>> _______________________________________________
>> gpaw-developers mailing list
>> gpaw-developers at listserv.fysik.dtu.dk
>> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-developers
>>
>>
>>
>> --
>> ***********************************
>>
>> Marcin Dulak
>> Technical University of Denmark
>> Department of Physics
>> Building 307, Room 229
>> DK-2800 Kongens Lyngby
>> Denmark
>> Tel.: (+45) 4525 3157
>> Fax.: (+45) 4593 2399
>> email: Marcin.Dulak at fysik.dtu.dk
>>
>> ***********************************
>>
>>
>>
>> --
>> ***********************************
>>
>> Marcin Dulak
>> Technical University of Denmark
>> Department of Physics
>> Building 307, Room 229
>> DK-2800 Kongens Lyngby
>> Denmark
>> Tel.: (+45) 4525 3157
>> Fax.: (+45) 4593 2399
>> email: Marcin.Dulak at fysik.dtu.dk
>>
>> ***********************************
>>
>>
>> _______________________________________________
>> gpaw-users mailing list
>> gpaw-users at listserv.fysik.dtu.dk
>> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
> _______________________________________________
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>
>
--
***********************************
Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk
***********************************
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