[gmx-users] Execute GROMACS during a time interval

[David van der Spoel]

Ismael De Andrés Presa wrote:
> Hi,
> 
>    I want to obtain a benchmarking of GROMACS from 1 to 8 or more nodes
> using the bootable cluster CD (BCCD) created by Dr. Paul Gray. In order to
> benchmark GROMACS I have certain time resources. So, I have two options:
> 
> 1º. Run GROMACS for 8 hours and how much simulated time it has generated.
> 
> 2º. Generate a little simulation time with GROMACS having GROMACS and see
> how much it cost with 1, 2, ...8 nodes.
> 
> For me the best option is the first one but I don´t know how I could do
> that. Any idea would be appreciated. Thanks In Advance.

10 minutes is enough.

> 
> Isma.
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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://folding.bmc.uu.se
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