[gpaw-users] Regarding 'RuntimeError: Atoms objects on different processors are not identical!'

[Marcin Dulak]

Hi,

On 03/05/2015 02:43 PM, Ask Hjorth Larsen wrote:
> Hello Yuriy
>
> This is probably because you need the development version of ASE as well.
>
> Of course, GPAW should actually detect that and raise a proper error 
> when there are such problems...
there is a mechanism that could be used for this purpose: 
ase_required_version in 
https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/gpaw/version.py
but it is used only in one test: 
https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/gpaw/test/ase3k_version.py
It should be included in gpaw/aseinterface.py too.
Michael: please update the ase_required_version related to this commit:
https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/gpaw/utilities/timing.py

Best regards,

Marcin
>
> Best regards
> Ask
>
> 2015-03-05 14:41 GMT+01:00 Yuriy Elesin <yuel at topsoe.dk 
> <mailto:yuel at topsoe.dk>>:
>
>     Hi Ask
>
>     When I get the trunk version and install it using the steps
>     described in the Developer installation, I get the following error
>     when running the tests:
>
>     gpaw-python `which gpaw-test` 2>&1 | tee test.log
>     Traceback (most recent call last):
>       File "/home/yuel/gpaw/tools/gpaw-test", line 149, in <module>
>         from gpaw.test.test import run
>       File "/home/yuel/gpaw/gpaw/__init__.py", line 238, in <module>
>         from gpaw.aseinterface import GPAW
>       File "/home/yuel/gpaw/gpaw/aseinterface.py", line 12, in <module>
>         from gpaw.paw import PAW
>       File "/home/yuel/gpaw/gpaw/paw.py", line 16, in <module>
>         from ase.utils.timing import Timer
>     ImportError: No module named timing
>
>     Any idea why is it? There were no errors with Installation using
>     package manager. And the ASE library passes all the tests.
>
>     Kind regards
>     Yuiry
>
>
>
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