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Talk:NAMD: Difference between revisions
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→Node list improvements
(Verbs example improvement) |
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# generate NAMD nodelist | # generate NAMD nodelist | ||
for n in `echo $SLURM_NODELIST | scontrol show hostnames`; do | for n in `echo $SLURM_NODELIST | scontrol show hostnames`; do | ||
echo "host $n ++cpus | echo "host $n ++cpus 32" >> nodelist.$SLURM_JOBID | ||
done | done | ||
$CHARMRUN ++p $P ++ppn $OMP_NUM_THREADS ++nodelist nodelist.$SLURM_JOBID $NAMD2 +idlepoll apoa1.namd | $CHARMRUN ++p $P ++ppn $OMP_NUM_THREADS ++nodelist nodelist.$SLURM_JOBID $NAMD2 +idlepoll apoa1.namd | ||