[gmx-developers] Re: gmx-developers Digest, Vol 48, Issue 14

[Mark Abraham]

Mukesh K Srivastava wrote:
> Hi.
> 
> I think while doing make mdrun & make install-mdrun, only drivers 
> installed in bin folder of gramcas is mdrun_mpi.
> 
> But w.r.t my previous E-mail as send earlier I need in bin folder of 
> gromacs following drivers too - p2bdbx_mpi, editconf_mpi, genbox_mpi, 
> grompp_mp w.r.t given gromacs application so that mdrun_mpi can be 
> finall;y executed.

No, you don't - mdrun is the only one that needs to have an MPI 
executable. You set up a parallel run using the -np option to grompp. 
Follow the installation instructions on the GROMACS webpage for the full 
non-MPI version, and then the MPI-only mdrun.

Mark