[gmx-users] Gromacs benchmarking results

vivek sharma viveksharma.iitb at gmail.com
Mon Oct 11 12:10:23 CEST 2010

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.

Vivek Sharma

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