Re: AMBER: Any experience on Dell two quad core system?

From: Ilyas Yildirim <yildirim.pas.rochester.edu>
Date: Mon, 13 Aug 2007 20:39:01 -0400 (EDT)

Dear David,

Thanks for the information.

Best,

On Mon, 13 Aug 2007, David Cerutti wrote:

> For a 37,054 atom MD simulation of Streptavidin tetramer, octahedral box,
> cut=9.0, 1fs timestep, and other standard parameters, PMEMD obtains:
>
> System # Proc. Wall Time / ps Processor Wall Time / ps
> Quad Xeon, 2.66GHz 2 262 seconds 524 seconds
> Quad Xeon, 2.66GHz 4 146 seconds 584 seconds
> Quad Xeon, 2.66GHz 8 94 seconds 752 seconds
> Quad Xeon, 3.00GHz 4 136 seconds 544 seconds
>
> So, with eight-way parallelization on a dual-quad box there is a ~30% loss of
> efficiency versus 2-way parallelization.
>
> Dave
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-- 
  Ilyas Yildirim
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Received on Wed Aug 15 2007 - 06:07:36 PDT
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