[ase-users] testing ase

[Ask Hjorth Larsen]

Hi,

Den fre. 17. aug. 2018 kl. 16.36 skrev José C. Conesa <jcconesa at icp.csic.es>:
>
> Hi,
>
> Good to know that the problem has been identified. Which minimum numpy version is required? I'll tell the administrator of the mainframe I'm using. And, are there minimum version requirements also for scipy and matplotlib?

I think it's numpy 1.9 whereas yours is 1.7.

I am not sure about scipy requirements - we probably don't know it
exactly.  Ubuntu 18.04 LTS presently has numpy 1.13 and scipy 0.19.
That, or newer, works.  Matplotlib is 2.1.1.

Best regards
Ask


>
> Thanks,
>
> JC Conesa
>
>
> El 17/08/2018 a las 22:41, Ask Hjorth Larsen escribió:
>
> Hi,
>
> Den fre. 17. aug. 2018 kl. 15.27 skrev José C. Conesa <jcconesa at icp.csic.es>:
>
> Hi,
>
> Attached is the result of command
>
> ase test Ag-Cu100.py CO2_Au111.py COCu111.py COCu111_2.py
>
> I hope this helps better.
>
> Thanks in advance,
>
> Right.  The version of numpy is too old.  (We should give a proper
> error message for that case.)
>
> Best regards
> Ask
>
> JC Conesa
>
>
> El 17/08/2018 a las 19:16, Ask Hjorth Larsen escribió:
>
> Hi,
>
>
>
> Den fre. 17. aug. 2018 kl. 02.29 skrev José C. Conesa <jcconesa at icp.csic.es>:
>
> Hi,
>
> In the attached file is the result of ase test -v
>
> Sorry, I should have asked for:
>
> ase test Ag-Cu100.py CO2_Au111.py COCu111.py COCu111_2.py
>
> or something similar.  This should make sure that you get to see the
> stack traces for those errors instead of the test suite waiting
> forever and hence never printing them.
>
> Best regards
> Ask
>
>
> Hopefully this helps
>
>
> El 17/08/2018 a las 0:51, Ask Hjorth Larsen escribió:
>
> Hi,
>
> El jue., 16 ago. 2018 12:20, José C. Conesa via ase-users <ase-users at listserv.fysik.dtu.dk> escribió:
>
> Hi,
>
> I have just downloaded ase-3.6.12 and installed it in a Linux mainframe which already had installed python 2.7, scipy, numpy and matplotlib. I added the proper definitions to $PYTHONPATH and $PATH. When I type ase test I get the following result:
>
> platform                 Linux-3.10.0-514.el7.x86_64-x86_64-with-redhat-7.3-Maipo
> python-2.7.5             /usr/bin/python
> ase-3.16.2               /home/icp/jcconesa/ase/ase/
> numpy-1.7.1              /usr/lib64/python2.7/site-packages/numpy/
> scipy-0.12.1             /usr/lib64/python2.7/site-packages/scipy/
> test-dir                 /tmp/ase-test-4ge6yM
>
> EEEE...E...E...E........E..sE.E..EE....E.E.E.E.....Ess.E.E.E....E.Es.EE.E..s....EEE.E.E.....sE.E.............EE..s.ssss....Es......sssssssssssss.E.s..ss....ssssss..ss..s....E.E.ssEE....EEE.E
>
> and the command seems to remain stuck; it has been running for more than 25 min already. ls -l /tmp/ase-test-4ge6yM  shows that all its content was generated in the first minute, no further change is revealed.
>
> Is there some failure?
>
> Yes, this is not supposed to happen. Please rerun with -v to get more info.
>
> Best regards
> Ask
>
>
>
> Thanks,
>
>
> José C. Conesa
> Instituto de Catálisis y Petroleoquímica, CSIC
> Marie Curie 2, Cantoblanco
> 28049 Madrid, Spain
> Tel. (+34)915854766
>
>
> Libre de virus. www.avast.com
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
> --
> José C. Conesa
> Instituto de Catálisis y Petroleoquímica, CSIC
> Marie Curie 2, Cantoblanco
> 28049 Madrid, Spain
> Tel. (+34)915854766
>
>
> --
> José C. Conesa
> Instituto de Catálisis y Petroleoquímica, CSIC
> Marie Curie 2, Cantoblanco
> 28049 Madrid, Spain
> Tel. (+34)915854766
>
>
> Libre de virus. www.avast.com
>
>
> --
> José C. Conesa
> Instituto de Catálisis y Petroleoquímica, CSIC
> Marie Curie 2, Cantoblanco
> 28049 Madrid, Spain
> Tel. (+34)915854766
>
>
> Libre de virus. www.avast.com