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 <[email protected]> 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 [email protected] > > > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
