Running NAMD on Forge (CUDA)

From: Gianluca Interlandi (
Date: Tue Jul 10 2012 - 12:14:52 CDT


I have a question concerning running NAMD on a CUDA cluster.

NCSA Forge has for example 6 CUDA devices and 16 CPU cores per node. If I
want to use all 6 CUDA devices in a node, how many processes is it
recommended to spawn? Do I need to specify "+devices"?

So, if for example I want to spawn 12 processes, do I need to specify:

charmrun +p12 -machinefile $PBS_NODEFILE +devices 0,1,2,3,4,5 namd2



Gianluca Interlandi, PhD
                     +1 (206) 685 4435

Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.

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