[Pw_forum] PHonon Raman Spectra error

[Raymond Gasper]

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
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