What kind of load imbalance? I assume you are referring to CPU-GPU imbalance as your runs are CPU-bound. In that case the only thing that helps is either porting code to CUDA or a faster CPU.
Reaction field electrostatics will help too in getting better performance in CPU-bound runs, but beware that you'll have to justify the choice of deviating form the most established way of treating electrostatics! -- Szilárd On Mon, Jul 6, 2015 at 1:32 PM, Pappu Kumar <papu...@yahoo.com> wrote: > I have 3x GTX 970 for 1x Intel i7-5820K with X99-E WS motherboard to > remove PCIe limitations. So I have 4 threads/gpu and I face load imbalances. > > I am wondering if it will be a good idea to use reaction-field instead of > PME in order to reduce the processor load (It would be less accurate). Let > me know if you have any suggestions for proper load balancing. Thank you. > > -- > 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. > -- 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.