Re: AMBER: sander8 performance

From: Oliver Hucke <ohucke.u.washington.edu>
Date: Tue, 01 Jun 2004 12:46:06 -0700

So, the "hb" benchmark was done with pmemd?
In the bench.hb script sander seems to be used...

Oliver

David A. Case wrote:
> On Tue, Jun 01, 2004, Oliver Hucke wrote:
>
>>With a sytem of ~50000 atoms, PME, cut=8.0, I get 75000 steps per day,
>>using two processors. This seems rather poor compared to the 117000
>>steps that were obtained in the hemoglobin benchmark with two Xeon
>>processors (2.0 GHz), with ifc7 compiled amber8, as I read on the amber
>>benchmarks page.
>
>
> This probably mostly reflects the relative efficiency of sander vs. pmemd.
> 

-- 
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Oliver Hucke, Dr.
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Seattle, WA 98195-7742        email: ohucke.u.washington.edu
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Received on Tue Jun 01 2004 - 20:53:00 PDT
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