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#!/bin/bash #PBS -N G16Test #PBS -m abe #PBS -M yourEmail@griffithuni.edu.au #PBS -l select=1:ncpus=1:mem=8gb #PBS -j oe #PBS -l walltime=10:00:00 ###module load gaussian/g09 module load gaussian/g16 source $g16root/bsd/g16.profile source $HOME/.bashrc echo "Starting job: " cd $PBS_O_WORKDIR g09g16 <PA-opt_freq-conf-1.com> $PBS_O_WORKDIR/PA-opt_freq-conf-1.out |
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