#!/bin/bash
#PBS -l nodes={{ nodes }}
#PBS -l walltime={{ time}}
#PBS -o {{ name }}.out
#PBS -e {{ name }}.err
#PBS -m bea
#PBS -M {{ email }}
#PBS -A TG-CHE120020
#PBS -V
cd $PBS_O_WORKDIR
export GAUSS_SCRDIR=/state/partition1/${{USER}}/${{PBS_JOBID}}
. /etc/profile.d/modules.sh
module load gaussian
exe=`which g09`
/usr/bin/time $exe < {{ name }}.gjf> {{ name }}.log

mv {{ name }}.* $HOME/done/
#!/bin/bash
#PBS -l nodes={{ nodes }}
#PBS -l walltime={{ time}}
#PBS -o {{ name }}.out
#PBS -e {{ name }}.err
#PBS -m bea
#PBS -M {{ email }}
#PBS -A TG-CHE120020
#PBS -V
cd $PBS_O_WORKDIR
export GAUSS_SCRDIR=/state/partition1/${% templatetag openvariable %}USER{% templatetag closevariable %}/${% templatetag openvariable %}PBS_JOBID{% templatetag closevariable %}
. /etc/profile.d/modules.sh
module load gaussian
exe=`which g09`
/usr/bin/time $exe < {{ name }}.gjf> {{ name }}.log

mv {{ name }}.* $HOME/done/
Fix Trestles job file to work with django
Fix Trestles job file to work with django
