[gmx-users] Error when using mdrun_mpi

[Mark Abraham]

Hi,

Just like gmx for the normal builds of GROMACS, mdrun_mpi needs to be found
in your path. Typically that's convenient to do by installing a normal and
the MPI-enabled mdrun-only build in the same place and sourcing the GMXRC
from the former which ends up being suitable for the latter.

Mark

On Mon, 13 May 2019 at 06:26, Hanin Omar <hanin_omar85 at yahoo.com> wrote:

> Hello all,I  am using gromacs 2019, i installed openmpi and did the buil
> mdrun only option, however when i type the command
>  mpirun -np 6 -v mdrun_mpi -multidir replica-[012345] -s 1a1z-md.tpr -x
> 1a1z-md.xtc  -o 1a1z-md.trr -c 1a1z-md.pdb -replex 500i get the following
> errormpirun was unable to find the specified executable file, and therefore
> did not launch the job.  This error was first reported for process
> rank 0; it may have occurred for other processes as well.
>
> NOTE: A common cause for this error is misspelling a mpirun command
>       line parameter option (remember that mpirun interprets the first
>       unrecognized command line token as the executable).
>
> Node:       tesla
> Executable: mdrun_mpi
> --------------------------------------------------------------------------
> 6 total processes failed to start
>
> can someone tell me how to solve this issue? why is the openmpi wrapper
> doesnt recognize the mdrun_mpi command from gromacs?Hanin
>
>
> --
> 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.