Hi, Sure you can go beyond 24 cores. I'm currently simulating ~170 000 atoms on 192 cores at ~45 ns a day. with half the number of processors I get ~27 ns a day. It will of course depend on the hardware, particular algorithms, run parameters, and on the system details.
Erik 7 nov 2012 kl. 16.51 skrev Marcelo Depolo: > Good afternoon, > > > I wonder if anyone has experience running Gromacs in MPI. I'm paralleling the > processes and want to know how many processors reduces the computation time to > the minimum. I am currently using 24 processors for a system of 170 000 > atoms and obtaining a simulation of 50ns in 15 days. There's a way to > reduce more this computational time? > > Thanks in advance! > -- > Marcelo Depólo Polêto > Departamento de Bioquímica e Biologia Molecular > Universidade Federal de Viçosa - UFV > *Website: http://opensourcebioinformatics.com/site/* > -- > 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 ----------------------------------------------- Erik Marklund, PhD Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: +46 18 471 6688 fax: +46 18 511 755 er...@xray.bmc.uu.se http://www2.icm.uu.se/molbio/elflab/index.html -- 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
