[gmx-users] Execute GROMACS during a time interval

Ismael De Andrés Presa isma at pormiswebs.com
Tue Jun 6 16:38:04 CEST 2006


   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

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.

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