Difference between revisions of "Cluster:Gaussian PBS script"

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This is a sample PBS script for Gaussian:
 +
 
  #!/bin/sh
 
  #!/bin/sh
 
  #PBS -N gaussian_test061.com_nodes=2:ppn=2
 
  #PBS -N gaussian_test061.com_nodes=2:ppn=2

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 $!