I've run into a problem with an older card (GTX-580) which is CC 2.0. On a larger box size, mdrun stops with:
Fatal error: Watch out, the input system is too large to simulate! The number of nonbonded work units (=number of super-clusters) exceeds themaximum grid size in x dimension (86276 > 65535)! This seems to refer to the CUDA "grid of thread blocks per dimension", limitation specific for CC below 3.0 (I know this system worked already on a CC 3.0 device). My question: can this grid count calculated by mdrun be "manipulated" somehow by mdp options (nstlist, rvdw, rlist)? Thanks, M. -- 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.
