Difference between revisions of "Cluster:Gaussian PBS script"

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#!/bin/sh
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This is a sample PBS script for Gaussian:
#PBS -N gaussian_test061.com_nodes=2:ppn=2
 
#PBS -o /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.out
 
#PBS -e /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.err
 
#PBS -q batch
 
#PBS -m abe
 
#PBS -l nodes=2:ppn=2
 
  
cd $PBS_O_WORKDIR
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#!/bin/sh
/cluster/bazaar/software/g03/bsd/g03l < /cluster/bazaar/software/g03/tests/com_s
+
#PBS -N gaussian_test061.com_nodes=2:ppn=2
mp4/test061.com > /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.log
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#PBS -o /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.out
 +
#PBS -e /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.err
 +
#PBS -q batch
 +
#PBS -m abe
 +
#PBS -l nodes=2:ppn=2
  
exit $!
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cd $PBS_O_WORKDIR
 +
/cluster/bazaar/software/g03/bsd/g03l < /cluster/bazaar/software/g03/tests/com_smp4/test061.com > /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.log
 +
 
 +
exit $!

Latest revision as of 13:46, 5 July 2005

This is a sample PBS script for Gaussian:

#!/bin/sh
#PBS -N gaussian_test061.com_nodes=2:ppn=2
#PBS -o /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.out
#PBS -e /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.err
#PBS -q batch
#PBS -m abe
#PBS -l nodes=2:ppn=2
cd $PBS_O_WORKDIR
/cluster/bazaar/software/g03/bsd/g03l < /cluster/bazaar/software/g03/tests/com_smp4/test061.com > /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.log
exit $!