Talk:NAMD: Difference between revisions
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(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 | ||
Latest revision as of 20:19, 22 June 2017
Node list improvements
The ibverbs job example does a pretty intense nodefile creation process, you can do this, taken from here:
# generate NAMD nodelist for n in `echo $SLURM_NODELIST | scontrol show hostnames`; do echo "host $n ++cpus 32" >> nodelist.$SLURM_JOBID done
$CHARMRUN ++p $P ++ppn $OMP_NUM_THREADS ++nodelist nodelist.$SLURM_JOBID $NAMD2 +idlepoll apoa1.namd