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August 23, 2019

Gaussian requested 2 cpus, PBS script... Log Out | Topics | Search
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WebMO Support Forum » Running WebMO Jobs » Job Options » Gaussian requested 2 cpus, PBS script contains only 1 « Previous Next »

Author Message
Paul Van Allsburg
Unregistered guest
Posted on Tuesday, June 30, 2009 - 11:31 am:   

I setup a simple 2 cpu job
input.com starts with:
%NProcShared=2
#N HF/6-31G(d) SP
C5H12
but the pbs_script.sh starts with#!/bin/sh
# Submitted using: /usr/local/bin/qsub -N WebMO_3178 -S /bin/sh -o /home/webmo/webmo/research/vanallsburg/3178/pbs_stdout -e /home/webmo/webmo/research/vanallsburg/3178/pbs_stderr -r n -q webmoq -l nodes=1:ppn=1

When I setup the job I told it ppn was 2.
Did I miss a config somewhere?
Version: 9.1.002e
JR Schmidt
Moderator
Username: Schmidt

Post Number: 106
Registered: 11-2006
Posted on Tuesday, June 30, 2009 - 11:36 am:   

Make sure to set the proc / nodes = 2 in the 'Advanced Job Options' page. This will automatically add the appropriate "%NProcShared=2" to the input file for you AND make sure to request the appropriate number of nodes and processors from PBS.

If you manually add the line yourself to the top of the input file, this will not get communicated to PBS. This system is done for consistency with other packages, which do not request processors by way of the input file.

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