running p2y in parallel

Come here to discuss issues with using the p2y converter from PWscf to Yambo, how to best run PWscf , link with the IOTK library, and so on.

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Posts: 4
Joined: Wed Jan 06, 2016 12:00 pm

running p2y in parallel

Post by henry » Mon Mar 05, 2018 9:31 am

Hello all,

I am looking for a hint on how to run p2y using a pbs submission script.

Attached is a script I made but doesn't work. Instead I get the error message:

/apps/chpc/chem/yambo/4.1.3/bin/p2y: invalid option -- i

This is p2y 4.1.2 rev.14036
Usage: p2y -h -H -N -F <opt> -O <opt> -U -b <int> -a <real> -t -n -w -v
Try `p2y -H' for more information
/apps/chpc/chem/yambo/4.1.3/bin/p2y: invalid option -- i

Thank you in advance.

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Daniele Varsano
Posts: 3127
Joined: Tue Mar 17, 2009 2:23 pm

Re: running p2y in parallel

Post by Daniele Varsano » Mon Mar 05, 2018 9:40 am

Dear Henry,
please fill your signature in your profile with your affiliation, this is a rule of the forum.

The script it is not attached (note that only few subscript are allowed as .zip, .txt to be uploaded etc., )
please post the script and we will have a look, also please note that p2y works in serial.
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale

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