You might have a look at the "WIEN2k-notes of the University of Texas"
document (slide 7) at:
http://susi.theochem.tuwien.ac.at/reg_user/faq/pbs.html
The line:
echo -n 'lapw0:' > .machines
It looks like that writes to the .machines file:
lapw0:
However, you need to have it write the
It look like something is wrong with this line [
https://stackoverflow.com/questions/26816605/awk-fatal-cannot-open-file-for-reading-no-such-file-or-directory
]:
awk '{print "1:"$1":1"}' $PBS_NODEFILE >>.machines
Maybe quotes are needed around the $PBS_NODEFILE:
awk '{print "1:"$1":1"}'
Does lapw0 exist in your WIEN2k directory (/home/sjana/WIEN2k_14.2)?
Maybe #PBS -V is needed [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15985.html
].
On 9/8/2017 1:42 AM, Subrata Jana wrote:
Dear All,
I am trying to run WIEN2k parallel. My shell script is looking
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