Hi, > On 24 Jul 2015, at 08:48, RJ <ra...@kaist.ac.kr> wrote: > > Dear gmx, > > > I have a single PC contains 24 threads with GTX 980Ti. > > > I would like to know how do i run the 3 or 2 simulation in same time with > above mentioned PC would have similar speed. Simply try it out :)
It could be beneficial to use the -multi options of gmx mdrun to start the multiple simulations. This way GROMACS would automatically take care of proper process placement and pinning. You could make a quick check with, e.g., mdrun -nsteps 5000 -resethway -multi … to get a performance estimate for 2 and for 3 simulations. There is more information about this on page 7 of http://arxiv.org/src/1507.00898v1/anc/supporting.pdf Carsten > I also read about -pin options but couldnt understand well. Moreover i run in > default i get this error "The GPU has >25% less load than the CPU. This > imbalance causes performance loss". > > > Its much appreciated if you could provide some info about multi simulation. > Thanks. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. -- Dr. Carsten Kutzner Max Planck Institute for Biophysical Chemistry Theoretical and Computational Biophysics Am Fassberg 11, 37077 Goettingen, Germany Tel. +49-551-2012313, Fax: +49-551-2012302 http://www.mpibpc.mpg.de/grubmueller/kutzner http://www.mpibpc.mpg.de/grubmueller/sppexa -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
