Thanks for the info. -- Szilárd
On Tue, Nov 29, 2011 at 11:50 AM, Andrzej Rzepiela <andrzej.rzepi...@physik.uni-freiburg.de> wrote: > Hey, > > Thank you for the info. The data that I obtained for comparison was > performed with GTX580, 4 fs timestep and heavy hydrogen atoms instead of > constraints, as you suspected. For dhfr with PME they were able to get 100 > ns a day. I tested the same system on Tesla M2090 with 2fs timestep and > constraints and was bale to get ~11 ns a day. Thus the factor of five that I > reported. > > Andrzej > > >> Hi Andrzej, >> >> GROMACS 4.6 is work in progress, it will have native CUDA acceleration >> with multi-GPU support along a few other improvements. You can expect >> a speedup in the ballpark of 3x. We will soon have the code available >> for testing. >> >> I'm a little skeptical about the 5x of ACEMD. What setting did you >> use? AFAIR they were using large time-steps without contraints in >> their benchmarks. >> >> Cheers, >> -- >> Szilárd > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use thewww interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
