AMBER Archive (2005)

Subject: Re: AMBER: amber8 parallel sander

From: Carlos P. Sosa (cpsosa_at_msi.umn.edu)
Date: Fri Sep 23 2005 - 07:02:26 CDT


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
>

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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