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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists