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.lud...@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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- 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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