AMBER Archive (2005)

Subject: Re: AMBER: maximum number of processors

From: Abd Ghani Abd Aziz (ghaniee_at_yahoo.com)
Date: Sat May 14 2005 - 01:42:49 CDT


Dear MURAT CETINKAYA,

Dear MURAT CETINKAYA,

I think that your connection already achieved maximum
peak. you can rsh to your nodes and do "top" to see
whether your sander run using 100% of your cpu speed.

Abd Ghani Abd Aziz
Unievrsiti Putra Malaysia

--- MURAT CETINKAYA <cetinkayam_at_psu.edu> wrote:
> Hi Amber users,
>
> I normally run sander with 16 nodes (dual processor
> in each) and I know the
> speed of the run. This time I tried using 32 nodes,
> but the speed seems just
> the same as 16 node runs. The system I simulate is
> completely the same as
> before. Is there a limit for the number of nodes
> that AMBER can use? Or is
> there another point I cannot figure out?
>
> Thanks.
>
> PS: I use amber7 and all nodes are functioning well.
> Murat CETINKAYA
> Biomolecular Materials Lab,
> Dept. of Engr. Science and Mechanics,
> The Pennsylvania State University,
> University Park, PA 16802
> office: (814) 863 9967
> web: www.personal.psu.edu/muc176
>
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