[QE-users] error in recovering phonon calculation

Jacopo Simoni simonij at tcd.ie
Mon Oct 19 01:35:58 CEST 2020


Dear QE users,
I am running a phonon calculation, the calculation is quite long and
expensive so I need to restart it a couple of times before I complete it.
The first run ends smoothly, but when I try to restart it I get an error
because it is not able to restart from the previous run.
This is my input file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%

phonons - mithrene
 &inputph
  recover=true,
  max_seconds=39600,
  tr2_ph=1.0d-12,
  prefix='mthr',
  ldisp=.true.,
  nq1=1, nq2=1, nq3=1,
  amass(1)=107.86820,
  amass(2)=78.96000,
  amass(3)=12.01070,
  amass(4)=1.00794,
  outdir='/lustre/scratch3/turquoise/jacopo/mithrene3/data.save/',
  fildyn='mthr.dyn',
 /
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I appreciate any suggestion.
Thanks, Jacopo Simoni
Research associate, Lawrence Berkeley National Lab.
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