Gaussian 09 is available

The Gaussian 09 package (http://www.gaussian.com/g_prod/g09.htm) is now available on the Search cluster.

It is installed in /share/apps/Gaussian09 and to use it in batch jobs one can use the following script:

#!/bin/csh
#PBS -q default #or fermi
#PBS -l walltime=[hh:mm:ss]
#PBS -l nodes=1:ppn=[num processors]
setenv OMP_NUM_THREADS [num processors]
cd $PBS_O_WORKDIR
setenv g09root /share/apps/Gaussian09/
source $g09root/g09/bsd/g09.login
g09 …

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