Re: AMBER: amber8 parallel sander

From: Carlos P. Sosa <>
Date: Fri, 23 Sep 2005 07:02:26 -0500

Kathleen Erickson wrote:

> Peter: So are you saying that scaling efficiencies beyond 8 CPUs are
> better 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 users find they need to switch to NAMD or some other MD
> package. -Kathleen


On a massively parallel machine such as Blue Gene/L, we have gonve well
beyond 8 processors using sander.
No, 8 CPUs is not the limit.

Carlos P. Sosa
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Received on Fri Sep 23 2005 - 13:53:00 PDT
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