[gmx-users] How to benchmark gromacs

[Rajiv]

Dear All,
    Now, I am running job in d.ddpc/ folder of gmxbench.tar.gz in parallel.
After grompp I have executed "mpirun -np 4 -defnm topol -v stepout 100. When
will this job complete.
1. How can I limit the job till a particular time.It is showing approximate 
time when it will
complete.
2. Can you tell me what operation does the files in folder of gromacs
benchmark does, d.dppc/ , d.lzm/ , d.poly-ch2/, d.villin/ .
3. Is there any Graphical tool in GROMACS which I can use to bechmark the 
cluster.

Regards,
Rajiv

----- Original Message ----- 
From: "David van der Spoel" <spoel at xray.bmc.uu.se>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Tuesday, November 23, 2004 1:36 PM
Subject: Re: [gmx-users] How to benchmark gromacs


> On Tue, 2004-11-23 at 10:20 +0530, Rajiv wrote:
>> Dear All,
>>     I have installed GROMACS sucessfully. How should I bechmark and
>> test it. I am newbie to this area. Pls guide me for the same.
> Run tutorial first. Then download benchmarks and run them.
>>
>> Regards,
>> Rajiv
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> -- 
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,          75124 Uppsala, Sweden
> phone:  46 18 471 4205          fax: 46 18 511 755
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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