AMBER Archive (2007)

Subject: AMBER: PME memory requirement

From: Russell Brown (Russ.Brown_at_Sun.COM)
Date: Mon May 07 2007 - 17:36:45 CDT

Can someone tell me how to estimate the per node memory requirement for
the MPI version of PME? The molecular model for which I need to run
simulations comprises 700,000 atoms. So for N MPI processes, how many
bytes of memory will be used per process? And is there a master process
for which the memory requirement is higher than for other processes?
Thanks. 

-- 

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Russell A. Brown                |  Sun Microsystems, Inc.
russ.brown_at_sun.com              |  UMPK14-260
(650) 786-3011 (office)         |  14 Network Circle
(650) 786-3453 (fax)            |  Menlo Park, CA 94025
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