[gmx-developers] Gromacs 3.3.1 parallel benchmarking

Charlie Peck charliep at cs.earlham.edu
Tue Aug 15 05:39:11 CEST 2006

On Aug 14, 2006, at 7:05 PM, Michael Haverty wrote:

> Hello all,
>   I'm doing some benchmarking of gromacs 3.3.1 on SUSE
> 9 systems using Intel Xeon processors on Gigabit
> ethernet, but have been unable to reproduce the
> scaling at
> http://www.gromacs.org/gromacs/benchmark/scaling-benchmarks.html
> for Gromacs 3.0.0 and am trying to diagnose why.

Can you post the command lines you used for grompp and mdrun?  I'd  
like to try replicating the results on one of our systems.


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