On Tue, Jan 8, 2013 at 3:22 PM, James Starlight <jmsstarli...@gmail.com>wrote:
> So could someone provide me more about gpu-accelerated MD implemented > in the 4.6 gromacs ? Does it require openMM (what version is supported > FYI, if nobody can, trust G: http://lmgtfy.com/?q=gromacs+4.6+gpu+acceleration http://lmgtfy.com/?q=gromacs+4.6+installation+instructions The wiki and mailing list contains quite extensive information (indexed by G). Otherwise, release notes (not final): http://www.gromacs.org/About_Gromacs/Release_Notes/Versions_4.6.x Install guide is at the expected location: http://www.gromacs.org/Documentation/Installation_Instructions Cheers, -- Szilárd > for that gromacs release ?) installed? By the way at present time I > force with the problem of compilation 4.1.1 openMM (i need to compile > openMM because of cuda-5.0 ). If someone have done it (openMM 4.11 > +cuda 5.0 + gromacs-4.5 for lattest geforces) please let me know. > > > James > > 2013/1/7 James Starlight <jmsstarli...@gmail.com>: > > Hi Szilárd! > > > > As I understood you correctly gromacs-4.6 have specific algorithm > > (independent on openMM?) for gpu-based calculations havent ? If it > > true how I should compilate such new gpu-based gromacs? In the > > gromacs-4.6-beta-3 folder I've found instructuon for the standart > > installation via cmake > > > > cmake PATH_TO_SOURCE_DIRECTORY -DGMX_OPENMM=ON -DGMX_THREADS=OFF > > > > > > James > > > > 2013/1/7 Szilárd Páll <szilard.p...@cbr.su.se>: > >> Szilárd > -- > 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