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Dear Ray, a couple o questions:<br>
-which mpi and compiler version are you using?<br>
-which scheduler?<br>
-how do you submit your calculation?<br>
-Can you please send the output file that has been generated?<br>
<br>
Regards,<br>
<br>
Nicola<br>
<br>
<br>
<div class="moz-cite-prefix">On 29/09/15 17:01, Raymond Gasper
wrote:<br>
</div>
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<div>Hi Pw_forum, I have a problem I haven't been able to solve:</div>
<div><br>
</div>
<div>I'm trying to the get the PHonon package to work for
developing Raman spectra, and can't get the example to work.
I've tried checking the archive and googling but cannot find a
solution. I'm using QE version 5.1.2, and consistently get
this or a similar error on only example 5:</div>
--------------------------------------------
<div>
<div>This job has allocated 32 nodes</div>
<div><br>
</div>
<div>/home/ray/espresso-5.1.2/PHonon/examples/example05 :
starting</div>
<div><br>
</div>
<div>This example shows how to use pw.x and ph.x to calculate</div>
<div>the Raman tensor for AlAs.</div>
<div><br>
</div>
<div> executables directory: /home/ray/espresso-5.1.2/bin</div>
<div> pseudo directory: /home/ray/espresso-5.1.2/pseudo</div>
<div> temporary directory: /home/ray/tmp</div>
<div> checking that needed directories and files exist...
done</div>
<div><br>
</div>
<div> running pw.x as: mpirun -v -np 32
/home/ray/espresso-5.1.2/bin/pw.x -nimage 4 -nk 4</div>
<div> running ph.x as: mpirun -v -np 32
/home/ray/espresso-5.1.2/bin/ph.x -nimage 4 -nk 4</div>
<div><br>
</div>
<div> cleaning /home/ray/tmp... done</div>
<div> running the scf calculation... done</div>
<div> running the response calculation...Exit code -3
signaled from master</div>
<div>Killing remote processes...[17] [MPI Abort by user]
Aborting Program!</div>
<div>[16] [MPI Abort by user] Aborting Program!</div>
<div>Abort signaled by rank 17: MPI_Abort() code: 1, rank 17,
MPI Abort by user Aborting program !</div>
<div>[28] [MPI Abort by user] Aborting Program!</div>
<div>MPI process terminated unexpectedly</div>
<div>forrtl: error (69): process interrupted (SIGINT)</div>
<div>--------------------------------------------------------------------------</div>
<div><br>
</div>
<div>I've tried to tweak my environment variables, and have
gotten slightly different errors, though all originate from
mpirun. Using my current environment variables all pw.x
examples run correctly.</div>
<div><br>
</div>
<div>This seems a very fundamental error, so I think I am
missing something quite basic. Thanks for your time,</div>
<div><br>
</div>
<div>
<div class="gmail_signature">
<div dir="ltr">Ray Gasper<br>
Computational Nanomaterials Laboratory<br>
ELab 204<br>
Chemical Engineering<br>
University of Massachusetts Amherst<br>
<a moz-do-not-send="true" href="tel:402-990-4900"
value="+14029904900" target="_blank">402-990-4900</a></div>
</div>
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<br>
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</blockquote>
<br>
<pre class="moz-signature" cols="72">--
Nicola Varini, PhD
Scientific IT and Application Support (SCITAS)
Theory and simulation of materials (THEOS)
CE 0 813 (Bātiment CE)
Station 1
CH-1015 Lausanne
+41 21 69 31332
<a class="moz-txt-link-freetext" href="http://scitas.epfl.ch">http://scitas.epfl.ch</a>
Nicola Varini</pre>
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