error in running epw.x for the eample diamond

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sreenivasa reddy

error in running epw.x for the eample diamond

Post by sreenivasa reddy »

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.
sponce
Site Admin
Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: error in running epw.x for the eample diamond

Post by sponce »

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
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
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