[gmx-users] gmx_mpi command line in version 5.1.4

[Mark Abraham]

On Tue, Sep 19, 2017 at 5:06 PM K. Subashini <subashinik at hotmail.com> wrote:

> Hi gromacs users,
>
>
> I am using version 5.1.4
>
>
> How to use gmx_mpi?
>
>
> I got the following error message
>
>
> Executable:   /home/subashini/GPU/bin/gmx_mpi
> Data prefix:  /home/subashini/GPU
> Command line:
>   gmx_mpi -v -deffnm eq
>

Just as with gmx, you need to ask for mdrun. So

mpirun gmx_mpi mdrun -v -deffnm eq

Mark