Hi! If I may ask, but what is the gromacs version that is planned on the roadmap to begin to work with the newer version of openmm? Specially interested due to ATI support
Regards Jones On Thu, Aug 18, 2011 at 10:01 PM, Szilárd Páll <szilard.p...@cbr.su.se>wrote: > Hi, > > Gromacs 4.5.x works only with OpenMM 2.x. You might be able to use > CUDA 4.0, but you will probably have to recompile OpenMM from source. > > Cheers, > -- > Szilárd > > > > On Fri, Aug 19, 2011 at 2:23 AM, Park, Jae Hyun nmn <pa...@ornl.gov> > wrote: > > Dear GMX users, > > > > > > > > I am installing GMX 4.5.3 with GPU. > > > > But, the CUDA in my GPU machine is ver 4.0. Can I use this version of > CUDA > > and openmm-3.1.1? Or, do I have to re-install CUDA 3.2 and openmm-2.0 as > > described in manual? > > > > > > > > Thank you in advance for your kind instruction. > > > > Jae H. Park > > > > > > > > > > > > ======================= > > > > Jae Hyun Park, Ph. D. > > > > Physics Division > > > > Oak Ridge National Laboratory > > > > PO. Box 2008, MS-6372 > > > > Oak Ridge, TN 37831 > > > > Phone (865) 241-1482 > > > > E-mail pa...@ornl.gov > > > > > > > > -- > > 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 >
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