[gmx-users] mpirun and gmx_mpi

Szilárd Páll pall.szilard at gmail.com
Thu Jul 12 16:29:24 CEST 2018

If you've written programs using MPI before you must know that you
generally use a launcher like mpirun/mpiexec or similar to start a run
(e.g. see https://www.open-mpi.org/doc/v1.10/man1/mpirun.1.php).

What is the confusion?


On Wed, Jul 11, 2018 at 9:16 AM Mahmood Naderan <nt_mahmood at yahoo.com>

> Hi,Although I have read the manual and I have wrote programs with mpi, the
> gromacs use of mpi is confusing.
> Is it mandatory to use mpirun before gmx_mpi or not?
> Can someone shed a light on that?
> Regards,
> Mahmood
> --
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list