faq
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faq [2015/03/20 12:30] trombach [How do I submit a Gaussian job?] |
faq [2015/03/20 23:49] admin [How do I submit a Gaussian job?] |
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| source $g09root/g09/bsd/g09.profile | source $g09root/g09/bsd/g09.profile | ||
| | | ||
| + | export GAUSS_SCRDIR=$SCRATCH | ||
| + | WORKDIR=/home/$USER/<path/ to CF4.inp and CF4.out files> | ||
| + | | ||
| echo "This job was submitted from $SLURM_SUBMIT_HOST," | echo "This job was submitted from $SLURM_SUBMIT_HOST," | ||
| echo "from the directory $SLURM_SUBMIT_DIR," | echo "from the directory $SLURM_SUBMIT_DIR," | ||
| echo "Running on node $HOSTNAME." | echo "Running on node $HOSTNAME." | ||
| - | + | echo "The local scratch is on $SCRATCH." | |
| - | export GAUSS_SCRDIR=/tmp/$SLURM_JOBID | + | |
| - | echo The local scratch directory "(located on the compute node)" is: /tmp/$SLURM_JOBID | + | |
| - | if [ ! -e $GAUSS_SCRDIR ]; then mkdir $GAUSS_SCRDIR; fi | + | |
| - | + | ||
| - | WKDIR=/home/$USER/<path/ to CF4.inp and CF4.out files> | + | |
| echo START: `date` | echo START: `date` | ||
| - | g09 < $WKDIR/CF4.inp | + | g09 < $WORKDIR/CF4.inp |
| echo FINISH: `date` | echo FINISH: `date` | ||
| </file> | </file> | ||
faq.txt · Last modified: 2015/03/27 14:05 by trombach
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