As far as I recall at most 2 ranks were supported; use OpenMP, I suggest. -- Szilárd
On Sat, May 11, 2019 at 3:11 PM Halima Mouhib <fatim_1...@yahoo.com> wrote: > Hi, > I have a question on how to run implicit water simulations using the > Gromacs5.x series. > Unfortunately, there is a problem with the domain decomposition when using > the command: gmx mdrun -deffnm md -v > > ################# > Fatal error: > Domain decomposition does not support simple neighbor searching, use grid > searching or run with one MPI rank > ################# > > and it works fine with one MPI rank ( gmx mdrun -deffnm md -v -nt 1 ), but > I need it to run it in parallel otherwise it is too slow. > In the previous Gromacs4.x versions, this could simply be solved using the > point decomposition method (mdrun -pd). > > How this has been replaced in Gromacs5.x? > > Thanks a lot in advance!Lima > > > > -- > 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.
