Oh cool. Looking forward to it then! On 2011-11-27 02:50:43PM -0600, Szilárd Páll wrote: > Native acceleration = not relying on external libraries. ;) > > -- > Szilárd > > > > On Sun, Nov 27, 2011 at 9:33 PM, Peter C. Lai <p...@uab.edu> wrote: > > 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 > > > -- > 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
