[Pw_forum] PHonon Raman Spectra error

Raymond Gasper raymond.j.gasper at gmail.com
Tue Sep 29 17:01:35 CEST 2015

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
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