> On 13. Dec 2018, at 22:31, pbusc...@q.com wrote: > > Carsten, > > A possible issue... > > I compiled gmx 18.3 with gcc-5 ( CUDA 9 seems to run normally ) Should > recompile with gcc-6.4 ? I don’t think that this will make a huge impact (but maybe you get a few extra percent performance) > > Paul > > -----Original Message----- > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se > <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> On Behalf Of p buscemi > Sent: Thursday, December 13, 2018 1:38 PM > To: gmx-us...@gromacs.org > Cc: gmx-us...@gromacs.org > Subject: Re: [gmx-users] using dual CPU's > > Carsten > > thanks for the suggestion. > Is it necessary to use the MPI version for gromacs when using multdir? - now > have the single node version loaded. Yes, using multidir requires an MPI parallel mdrun.
> > I'm hammering out the first 2080ti with the 32 core AMD. results are not > stellar. slower than an intel 17-7000 But I'll beat on it some more before > throwing in the hammer. The 2080Ti should be a lot faster than your 1060. Is PME running on the GPU or CPU? Carsten -- 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.
