Random hijack: Will the CUDA acceleration support CMAP or will it still be limited to the limitations of OpenMM that it currently has?
On 2011-11-27 12:10:47PM -0600, Szilárd Páll wrote: > 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 > > > > On Thu, Nov 24, 2011 at 9:53 AM, Andrzej Rzepiela > <andrzej.rzepi...@physik.uni-freiburg.de> wrote: > > Dears, > > > > I would like to ask what performance improvement is expected for future > > releases (e.g. 4.6) for PME calculations on gpu cards. Last week I sent > > benchmark results for dhfr to the list, which show no performance gain when > > the newest versions of tesla cards vs intel xeon R are used (more or less in > > agreement of what is presented on the gromacs website). However, for the > > same system simulations with different gpu code, acemd, on a very similar > > machine can be about 5 times faster, as benchmarked recently by my > > colleagues, suggesting that performance of gromacs may soon improve. is that > > correct ? > > > > > > Andrzej > > -- > > 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 -- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | KAUL 752A Genetics, Div. of Research | 705 South 20th Street p...@uab.edu | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- 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
