next up previous contents index
Next: CPU Affinity Up: Running NAMD Previous: SGI Altix UV   Contents   Index

IBM POWER Clusters

Run the verbs or ibverbs version of NAMD as on any other cluster, using poe in place of mpiexec as the process launcher, for example:

  charmrun +p<procs> ++mpiexec-no-n ++remote-shell poe namd2 <configfile>

The details of job submission will vary between sites. For example, two nodes with two tasks per node on LSF are -n 4 -R "span[ptile=2]" with charmrun options +p36 ++ppn 9 ++mpiexec-no-n ++remote-shell poe