Hi, I am relatively new to the gromacs environment and would like to optimize performance for my mac pro (osx 10.6.8) with 8 cores (16 in hyper-theading). I´ve read that one can use the g_tune_pme, i guess with np = 16. Don´t know if using mpirun or gromacs compiled mpi would be faster. I guess sin gromacs 4,5 mpirun is deprecated and mdrun automatically distributes the workload through all the cores, i think. We also have a 40 core condor cluster; would setting it up there increase performance? I think also that the scaling depends on the number of atoms. Any info on this?
Thank very much Tiago -- 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
