AMBER Archive (2009)

Subject: Re: [AMBER] Number of processor in pmemd

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Mon May 04 2009 - 12:27:06 CDT

I suggest running a benchmark job and looking carefully at the information
at the end of the mdout file as well as the parallel info that pmemd writes.
in order to help any more you should provide the size of the system and
something about the simulation details.

On Mon, May 4, 2009 at 1:17 PM, Hemant Kumar
<hemant_at_physics.iisc.ernet.in>wrote:

> Hi,
> I am using pmemd on 12 processor,but only 30% of processor is being used
> while running the program. Is it because of number of processor not being
> some integer power of 2 or something else.
>
> With regrads,
> Hemant Kumar
> Graduate Student
> CCMT,Department of Physics
> IISC,Bangalore
>
>
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