Hi, 4.6 will support only CUDA.
OpenCL GPU implementations have yet match CUDA; on CPU it would hardly match the performance of the hand-tuned SSE kernels, moreover, CPU & GPU algorithms are not the same. -- Szilárd On Sun, Nov 27, 2011 at 11:25 PM, Alexey Shvetsov <ale...@omrb.pnpi.spb.ru> wrote: > Hi! > > Will it use CUDA or OpenCL? Second one will be more common since it will > work with wider range of platfroms (cpu, gpu, fcpga) > > Szilárd Páll писал 27.11.2011 23:50: >> >> 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 >>> > > -- > Best Regards, > Alexey 'Alexxy' Shvetsov > Petersburg Nuclear Physics Institute, Russia > Department of Molecular and Radiation Biophysics > Gentoo Team Ru > Gentoo Linux Dev > mailto:alexx...@gmail.com > mailto:ale...@gentoo.org > mailto:ale...@omrb.pnpi.spb.ru > -- > 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
