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IBM POWER Clusters

Run the MPI version of NAMD as you would any POE program. The options and environment variables for poe are various and arcane, so you should consult your local documentation for recommended settings. As an example, to run on Blue Horizon one would specify:

  poe namd2 <configfile> -nodes <procs/8> -tasks_per_node 8



http://www.ks.uiuc.edu/Research/namd/