[QE-users] Problem in Convergence of ph.out in phonon calculations

[Sina Malakpour]

Dear all,

Recently, I am working on linear response method implemented in QE to do
the phonon calculations for a structure. I apply different isotropic strain
to the optimized structure and then I run the phonon computations through
these steps:

1. scf run
2. ph run
3. q2r run

For all strains, the scf run is ok, but for some strains, after ph run I
get this message at the end of the 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: [[47696,1],6]
  Exit code:    28
--------------------------------------------------------------------------

and So, the file of force constants would not be generated. I really
appreciate it if you guide me through this and let me know what to do to
fix the problme?

Thanks,
Sina

Sina Malakpour Estalaki
PhD student
Department of Aerospace and Mechanical Engineering
University of Notre Dame
Notre Dame, IN, US
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