So could someone provide me more about gpu-accelerated MD implemented in the 4.6 gromacs ? Does it require openMM (what version is supported 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
