Infiniband and PME gridsize

From: Gianluca Interlandi (gianluca_at_bioc.unizh.ch)
Date: Tue Dec 14 2004 - 06:06:03 CST

Dear NAMD users,

I have two independent questions:

1) Are there any experiences about the scalability running NAMD on
   infiniband? I have been running NAMD on myrinet and, as an example, for
   a system with 51000 atoms I get a seedup of 14 on 16 CPUs (dual opteron
   1800+).

2) What is recommended for a PME gridsize? One of my boxes has a
   sidelength of 99.2 A. What is the "ideal" gridsize in this case?

Many thanks,

          Gianluca

-----------------------------------------------------
Gianluca Interlandi gianluca_at_bioc.unizh.ch
                    +41 (0) 1 635 55 93
                    +41 (0)79 655 73 35
                    http://biocroma.unizh.ch/gianluca/

PhD-Student of the Department of Biochemistry
at the University of Zurich Irchel, Switzerland
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