[Pw_forum] Error when running fd_ifc.x

yin li liyincumt at gmail.com
Mon Jan 25 12:08:58 CET 2016


Dear QE community,

I have got a problem with running fd_ifc.x. I run fd.x with the input file
as shown below. I found totally there are 52 pw.x input files generated
including displaced.0.0.0 plus displaced.1.a.b (a=1-3,b=1-17). But when I
was running fd_ifc.x, this code failed to finish with finding displaced
1.1.18 which doesn't exist.
"
At line 422 of file fd_ifc.f90 (unit = 2, file = './fd_files/force.1.1.18')
Fortran runtime error: End of file
"
Could anybody help me to point out the cause for this error?

Here is the input file for fd.x.
&inputfd
 fd_prefix      = "2215317-asparagine"
 fd_outdir      = './'
 fd_outfile     = 'displaced'

 fd_outfile_dir = "./fd_files"
 nrx1           = 1
 nrx2           = 1
 nrx3           = 1
 innx           = 1
 de             = 0.01
/

Here is the input file for fd_ifc.x.
&input
  prefix="2215317-asparagine"
  nrx1=1,
  nrx2=1,
  nrx3=1,
  de=0.01,
  file_force="./fd_files/force",
  file_out="./2215317-asparagine"
  innx=1
  nodispsym=.false.
  noatsym=.false.
  verbose=.true.
  hex=.false.
/


Thank you very much!

Yin
------------------------------
Dr. Yin Li
Department of Biophysics,Medical School, University of Pecs,
No.12 Szigeti Street, Pecs, H-7624, HUNGARY
Phone: +36-72-535271/36271
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