Dear Amir,
To me it looks like if the calculation has finished normally - the
output ends with "JOB DONE.", a message
---<cut>---------------------------------------------------------
Maximum CPU time exceeded
max_seconds = 350000.00
elapsed seconds = 361758.49
---</cut>--------------------------------------------------------
means that the calculation did not manage to finish in time for your
calculation - no wonder, only four cores, 72 atoms and thus many phonon
modes to be calculated, a relatively high cut-off energy etc. Why the
output looks weird, with the "error message" at the beginning, is possibly
because you redirect the stdout and stderr into the same file? The "STOP
1" is the normal exit code of QE/pw.x when running out of CPU time.
In principle the calculation could be restarted, but indeed, like you
say, the calculation is probably slowed down because of insufficient
memory and thus swapping. Are you able to switch to a larger computer?
Greetings,
apsi
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari Paavo Seitsonen / [email protected] / http://www.iki.fi/~apsi/
Ecole Normale Supérieure (ENS), Département de Chimie, Paris
Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935
On Fri, 15 Jan 2016, Mofrad, Amir Mehdi (MU-Student) wrote:
Dear all Quantum Espresso users and developers,
I have been willing to do a phonon calculation on a zeolite but I have not
been successful. It gives me the following error in output file:
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: [[46226,1],0]
Exit code: 1
I think it has something to do with memory. I have attached both my input
and output files. Any help would be thoroughly appreciated.
Amir M. Mofrad
Graduate Research Assistant
Chemical Engineering Department
University of Missouri
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