Gaussian_PBS

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#!/bin/sh

#PBS -N model_name

#PBS -q queue_name

#PBS -M username@campus.technion.ac.il

#PBS -l select=1:ncpus=N

PBS_O_WORKDIR=$HOME/mydir

source /usr/local/g09/setup.sh

cd $PBS_O_WORKDIR

g09 < XXX.gjf > XXX.out

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