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.i...@gmail.com> Date: Monday, October 11, 2010 21:10 Subject: [gmx-users] Gromacs benchmarking results To: Discussion list for GROMACS users <gmx-users@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 > -- > 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
-- 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
