[gmx-users] How to use gmx_mpi?

[Justin Lemkul]

On 11/8/19 6:20 PM, ZHANG Cheng wrote:
> I think I managed to use the correct command:
>
>
> mpirun -np 12 gmx_mpi mdrun -v -multidir ./equil[0123]
>
>
> However, I was told 
>
>
> [proxy:0:0 at node-e00a-002.myriad.ucl.ac.uk] HYDU_create_process (../../utils/launch/launch.c:825): execvp error on file gmx_mpi (No such file or directory)
>
>
> So how to make it correct?

You need to configure your $PATH to find the gmx_mpi binary.

http://manual.gromacs.org/current/install-guide/index.html#getting-access-to-gromacs-after-installation

-Justin

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Justin A. Lemkul, Ph.D.
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