[QE-users] error opening xml data file

Eesha Sanjay Andharia esandhar at uark.edu
Mon Feb 24 03:36:14 CET 2020


Hi,
I performed silicon scf caculation and now am trying to run a 'bands' calculation. I have copied the silicon.save file from scf directory into wfn directory. However, I get the following error:
  Atomic positions and unit cell read from directory:
     ./silicon.save/

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine pw_readfile (1):
     error opening xml data file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

cp: omitting directory `silicon.save'
        Loading Intel 19.0.5: Warning - module intel already loaded

Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from pw_readfile : error #         1
     error opening xml data file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
.

Please help.

Thank you.

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