[Pw_forum] phonon q2r problem

[Paolo Giannozzi]

Try to run on one processor only. q2r.x should do that anyway, no matter
how many processors you specified (it is not parallelized) but this
sentence:
   "Primary job  terminated normally, but 1 process returned a non-zero
exit code"
seems to indicate that it doesn't

Paolo

On Mon, Jul 6, 2015 at 5:50 PM, Ludwig, Stephan <
stephan.ludwig at pi1.physik.uni-stuttgart.de> wrote:

>  Hello,
>
> I want to calculate phonon dispersion and phonon DOS for BaFe2As2
>
> I receive the folllowing error message when using the q2r executable:
>
>
>
>
> ...
>
> ...
>
> q=  -0.30000000  0.49640224  0.12917893
>  q=   0.30000000 -0.49640224 -0.12917893
>   reading force constants from file BaFe2As2_20K.dyn12
>   nqs=            2
>  q=   0.60000000 -0.39712179 -0.25835786
>  q=  -0.60000000  0.39712179  0.25835786
>   reading force constants from file BaFe2As2_20K.dyn13
>   nqs=            2
>  q=   0.50000000 -0.29784134 -0.21529822
>  q=  -0.50000000  0.29784134  0.21529822
>   reading force constants from file BaFe2As2_20K.dyn14
> -------------------------------------------------------
> Primary job  terminated normally, but 1 process returned
> a non-zero exit code.. Per user-direction, the job has been aborted.
> -------------------------------------------------------
> --------------------------------------------------------------------------
> mpirun detected that one or more processes exited with non-zero status,
> thus causing
> the job to be terminated. The first process to do so was:
>
>   Process name: [[60950,1],0]
>   Exit code:    24
>
>
> My q2r-input-file looks like this:
>
> &input
> fildyn='BaFe2As2_20K.dyn',
> zasr='simple',
> flfrc ='BaFe2As2_20K101010.fc'
> /
>
>
> Can anybody tell me what that means?
>
>
> Thanks and regards
>
>
> Stephan Ludwig
>
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>



-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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