Re: Multiple runs of NAMD highly take fluctuating times

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Mar 16 2011 - 00:36:28 CDT

On Wed, Mar 16, 2011 at 12:06 AM, yashodhan karandikar
<yashkarandikar_at_gmail.com> wrote:
> I am running NAMD with numsteps=30000. The WallClock times for multiple runs
> are fluctuating by more than 100 % at times. For instance, one run takes 436
> seconds, while another run takes 887 seconds, both with the same parameters.
>
> This problem did not occur with numsteps=5000.
>
> What could be the problem ?

not knowing anything about what you are running how and
on what kind of machine with what else is going on at the
same time, one would have to be clairvoyant to answer that question.

axel.

>
> Thanks & Regards,
> Yashodhan Karandikar
>

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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