Re: AMBER: amber8 parallel sander

From: Peter Gannett <>
Date: Thu, 22 Sep 2005 17:15:12 -0400


Yes. But, Amber users should not find this to really be a problem as
NAMD can use amber's force field and I've not seen any reports of
significant differences between NAMD with amber's ff and Amber. Also,
from what I've seen reported (amber reflector, other various websites,
though some possibly biased like if they are from the makers of NAMD or
Amber), the switching point is somewhere between 4-8, 8 seems to come up
consistently, and by 16 processors, you don't want to be using amber.


>>> 09/22 12:44 PM >>>
Peter: So are you saying that scaling efficiencies beyond 8 CPUs are
achieved with NAMD? In other words, is 8 CPUs the limit for most
effiencient scaling on AMBER? I'd like to know at which point AMBER
find they need to switch to NAMD or some other MD package. -Kathleen
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Received on Thu Sep 22 2005 - 22:53:00 PDT
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