Hi, there's only rf(reaction-field) dataset in
https://repository.prace-ri.eu/ueabs/GROMACS/1.2/GROMACS_TestCaseB.tar.gz Per user guide (getting good performance from mdrun), Native GPU acceleration is supported with the Verlet cut-off scheme <http://manual.gromacs.org/documentation/current/user-guide/cutoff-schemes.html> (not with the group scheme) with PME, reaction-field, and plain cut-off electrostatics. How to enable GPU offload for reaction-field type dataset? I only can run gpu-offload for PP with it now, is there other way to enable more GPU offload with this kind of dataset? I'm using Nvidia V100 now. btw, is interpolation orders other than 4 not supported for gpu-offload as well? Thanks, Jimmy -- 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 [email protected].
