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error in running epw.x for the eample diamond 
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Joined: Fri Sep 16, 2016 1:18 pm
Posts: 1
University: IIT Hyderabad
Post error in running epw.x for the eample diamond
Dear EPW,

I am facing an error while running the epw.in and epw2.in epw3.in (i.e to run epw.x). scf.in and nsc.in and phonon examples are completed suscessfully.
When i am running i am getting error like below.

########################################################################################################################
# WARNING: there are pending errors
# PENDING ERROR (ierr=1)
# ERROR IN: iotk_open_read (iotk_files.f90:611)
# CVS Revision: 1.20
# unit
file=../phonons/save/diam.phsave/patterns.1.xml
binary=F
iostat=29
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=2)
# ERROR IN: iotk_getline (iotk_scan.f90:947)
# CVS Revision: 1.23
#
iostat=29
# ERROR IN: iotk_scan_tag (iotk_scan.f90:593)
# CVS Revision: 1.23
# ERROR IN: iotk_scan (iotk_scan.f90:821)
# CVS Revision: 1.23
# ERROR IN: iotk_scan_begin (iotk_scan.f90:98)
# CVS Revision: 1.23
########################################################################################################################
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

May i know the problem.

Thanking you.


Fri Sep 16, 2016 1:27 pm
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 575
University: Oxford
Post Re: error in running epw.x for the eample diamond
Hello,

The code is looking for this file "../phonons/save/diam.phsave/patterns.1.xml".

Please check that the file exists. If not you need to run the pp.py script to create the save folder from the phonon run.

Best,

Samuel

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Sat Sep 17, 2016 1:43 pm
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