Have you read the "Types of GPU tasks" section of the user guide?
-- Szilárd On Thu, Mar 1, 2018 at 3:34 PM, Mahmood Naderan <nt_mahm...@yahoo.com> wrote: > >Again, first and foremost, try running PME on the CPU, your 8-core Ryzen > will be plenty fast for that. > > > Since I am a computer guy and not a chemist, the question may be noob! > What do you mean exactly by running pme on cpu? > > You mean "-nb cpu"? or you mean setting cut-off to Group instead of Verlet > (latter is used for GPU only)? > > > Regards, > Mahmood > -- 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.
