In order to use MPI on Ubuntu with the distribution-supplied package, you need to use a combination of mpirun and mdrun_mpi, e.g.
mpirun -np 2 mdrun_mpi -deffnm md to run on two cores. On Mon, Dec 27, 2010 at 7:04 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > גדעון לפידות wrote: >> >> Hi all, >> I have recently installed Ubonto on my computer (i5 processor) and >> installed gromacs 4.0.7. I have installed openmpi and fftw but when using >> mpirun command instead of getting parallel processes it simply runs the same >> job four times simultaneously. How do I make the necessary adjustments. > > Properly compile an MPI-enabled mdrun. Since you've provided no detail on > how you did the installation, the only thing to suggest is that you've done > something wrong. Follow the installation guide: > > http://www.gromacs.org/Downloads/Installation_Instructions > > Alternatively, use the newest version of Gromacs (4.5.3), which uses > threading for parallelization instead of requiring external MPI support. > > -Justin > >> Thanks, >> Gideon >> > > -- > ======================================== > > 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-us...@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
