[Wannier] not generating lead.wout after modification

Zeina Al-Dolami zaldolam at email.uark.edu
Mon Nov 3 22:06:09 CET 2014


Dear Giovanni,
Thanks so much for your quick response. I followed what you mentioned, but
the file lead.wout was not generated. The job script is shown below. What
is the problem? Is it installation issue or something else? Please let me
know if you have any idea or suggestions. Many thanks in advance. Thanks to
everyone who is willing to help

Zeina Al-Dolami

PhD Candidate in MEPH

University of Arkansas

Fayetteville, AR 72703

#/bin/sh

#PBS -N serialjob
#PBS -q serial8core
#PBS -j oe
#PBS -m abe
#PBS -M zaldolam at uark.edu
#PBS -o wannier.$PBS_JOBID.serial8core
#PBS -l nodes=1:ppn=1
#PBS -l walltime=01:00:00
#submitted from
cd $PBS_O_WORKDIR
#run program
/share/apps/espresso/espresso-5.1/bin/wannier90.x lead.win
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