AMBER Archive (2004)

Subject: RE: AMBER: amber8 performance on linux cluster

From: Yong Duan (yduan_at_udel.edu)
Date: Tue Apr 27 2004 - 12:47:21 CDT

We need to know a bit more ...
1) How many CPUs you tried to run?
2) What's the interconnect (e.g., 10/100/1000BT?)
3) Some information about your system (e.g., # of atoms).
4) Some information about your cluster (e.g., dual Xeon x.xGHz CPU on
each node).

yong

> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of quch quch
> Sent: Tuesday, April 27, 2004 1:06 PM
> To: amber_at_scripps.edu
> Subject: AMBER: amber8 performance on linux cluster
>
>
> Hello,
> I have tried to compile the amber8 at linux cluster
> with intel compiler and mpich, however, the
> performance is very poor for sander, usually around
> 30% or less CPU usage for each CPU. If I use only one
> CPU, the usage is above 90%. I am not sure this is
> common for parallel sander in linux? or is it problem
> from mpich?
> Thanks,
> Chen
>
>
>
>
>
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