[gmx-developers] Re: gmx-developers Digest, Vol 48, Issue 14
Mark.Abraham at anu.edu.au
Mon Apr 21 15:04:46 CEST 2008
Mukesh K Srivastava wrote:
> 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.
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