[gmx-users] Gromacs benchmarking results

[Mark Abraham]

g_tune_pme in 4.5.2 is your friend here. Otherwise, stay at 48 or below, probably.

Mark

----- Original Message -----
From: vivek sharma <viveksharma.iitb at gmail.com>
Date: Monday, October 11, 2010 21:10
Subject: [gmx-users] Gromacs benchmarking results
To: Discussion list for GROMACS users <gmx-users at gromacs.org>

> Hi all,
>  I have some gromacs benchmarking results to share.
> I have tried the lysozyme example distributed in the benchmarking
> suite "gmxbench-3.0.tar.gz". I have used the case provided in d.lzm/
> with pme.mdp parameter file.
> 
> Following is the performance (in ns/day) I got with gromacs-
> 4.0.5 on
> my cluster with different number of processors. I have tried different
> npme for each run and reporting here the best one.
> 
> #processors     
> #npme       Performance ( ns/day)
>     
> 1                                          2.898
>   
> 24                      8                   44.698
>   
> 48                      16                 75.262
>   
> 72                      24                 86.835
>   
> 84                      20               102.249
>   
> 96                      16                97.079
>  120                     40                97.738
>  144                      64                93.204
>  156                     76                 89.534
> 
> I am looking for some more benchmarks on the same example set, to
> compare these results. Please, share if somebody has tried it.
> 
> Expecting some helpful comments and suggestions to improve the
> performance further.
> 
> Thanks,
> Vivek Sharma
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