That should be run on the CPU - the decomposition required to do energy groups on the GPU defeats the point of using the GPU, so it is not implemented.
Mark On Apr 4, 2014 11:31 AM, "michael.b" <mbx0...@yahoo.com> wrote: > > thanks for the reply! ... > > to be precise i should add that when i say analyze i actually > mean rerun 4.5.6 trajectories with mdrun-5.0-breta ... > > cheers > michael > > > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/energy-groups-GPU-and-4-6-vs-5-0-tp5015634p5015640.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > 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.
