Dear Natalia, The current mdrun-gpu (which btw uses OpenMM) is capable to run a single simulation, on a single node, using a single GPU only.
Cheers, -- Szilárd On Fri, Mar 4, 2011 at 6:28 PM, Nathalia Garces <natsgar...@gmail.com> wrote: > Hello, > I want to know if it is possible to use "mdrun-gpu" with the command > "-multi", meaning to use GPUs using paralell simulation. > When I used it (mdrun-gpu -multi 2 -replex 2 ), it appears me an error shown > bellow > Fatal error: > This binary is compiled without MPI support, can not do multiple > simulations. > > this bewilder me because I'm not sure I can use gpu and mpi at the same > time. > > > Thank you for four answer > > Nathalia > > -- > 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 > -- 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
