Dear Ray, a couple o questions:
-which mpi and compiler version are you using?
-which scheduler?
-how do you submit your calculation?
-Can you please send the output file that has been generated?
Regards,
Nicola
On 29/09/15 17:01, Raymond Gasper wrote:
Hi Pw_forum, I have a problem I haven't been able to solve:
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:
--------------------------------------------
This job has allocated 32 nodes
/home/ray/espresso-5.1.2/PHonon/examples/example05 : starting
This example shows how to use pw.x and ph.x to calculate
the Raman tensor for AlAs.
executables directory: /home/ray/espresso-5.1.2/bin
pseudo directory: /home/ray/espresso-5.1.2/pseudo
temporary directory: /home/ray/tmp
checking that needed directories and files exist... done
running pw.x as: mpirun -v -np 32 /home/ray/espresso-5.1.2/bin/pw.x
-nimage 4 -nk 4
running ph.x as: mpirun -v -np 32 /home/ray/espresso-5.1.2/bin/ph.x
-nimage 4 -nk 4
cleaning /home/ray/tmp... done
running the scf calculation... done
running the response calculation...Exit code -3 signaled from master
Killing remote processes...[17] [MPI Abort by user] Aborting Program!
[16] [MPI Abort by user] Aborting Program!
Abort signaled by rank 17: MPI_Abort() code: 1, rank 17, MPI Abort by
user Aborting program !
[28] [MPI Abort by user] Aborting Program!
MPI process terminated unexpectedly
forrtl: error (69): process interrupted (SIGINT)
--------------------------------------------------------------------------
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.
This seems a very fundamental error, so I think I am missing something
quite basic. Thanks for your time,
Ray Gasper
Computational Nanomaterials Laboratory
ELab 204
Chemical Engineering
University of Massachusetts Amherst
402-990-4900 <tel:402-990-4900>
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--
Nicola Varini, PhD
Scientific IT and Application Support (SCITAS)
Theory and simulation of materials (THEOS)
CE 0 813 (Bâtiment CE)
Station 1
CH-1015 Lausanne
+41 21 69 31332
http://scitas.epfl.ch
Nicola Varini
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