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
