NAMD on dual opterons

From: Kyle Gustafson (kgustaf_at_umd.edu)
Date: Mon Jul 25 2005 - 13:30:44 CDT

Hi,

My installation of NAMD2 on our 18 processor opteron cluster
is not being easy.

First concern: an older version of the
charm source that comes packaged with the NAMD_2.5_Source
(~July 20 2005) has an mpi-linux build with an opteron option,
which seems attractive to my system. A newer version of the
charm source has mpi-linux-amd64 with no
opteron option, which may be better? Lastly, the available
namd ARCHes are Linux-amd64 and Linux-i686, which makes me
think I should use the newer charm build with mpi-linux-amd64.
 Can someone please explain the difference between the charm
builds for 64 bit opterons, and indicate which is better for
running NAMD using mpi with NO Myrinet. We are using mpi, not
ssh or rsh.

Many thanks,

--Kyle

Kyle B. Gustafson
Department of Physics
University of Maryland
Box 45
082 Regents Drive
College Park, MD 20742

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