On Wed, Jul 13, 2011 at 12:21 AM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Kavyashree M wrote: >> >> Dear users, >> >> I was trying to run gromacs-4.5.3 in IBMcluster using mpich-1.2.7 >> rather than openmpi. But I was getting some error. Sorry I donot >> remember the error. But Is it possible to run gromacs-4.5.3 using >> mpich implementation?
I guess yes. I checked version 4.5.3 (why you don't try V4.5.4?) since I am not so sure about the difference of openmpi and mpich. ./configure --help --enable-mpi Compile for parallel runs using MPI (instead of threads) --enable-mpi-environment=VAR Only start parallel runs when VAR is set --disable-mpi-in-place Disable MPI_IN_PLACE. For MPI implementations that have broken support for it (some versions of MPICH, for example). "(some versions of MPICH, for example)." so my none-knowledge-based guess is that it supports. >> > > Probably, but without an actual error message and a complete description > (including commands - configuration? compilation? running mdrun?) of what > you were doing when the error occurred, you're not going to get any useful > assistance. > > -Justin > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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, lina -- 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