[gmx-users] mdrun_mpi executable not found
justin.kat at mail.mcgill.ca
Tue Jan 25 22:50:40 CET 2011
Alright. So meaning I should have instead issued:
./configure --enable-mpi --program-suffix=_mpi
to have installed an MPI-enabled executable called mdrun_mpi apart from the
existing mdrun executable? (Would I also need to append the _mpi suffix when
issuing the first two make and make install commands above?
On Mon, Jan 24, 2011 at 8:08 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> Justin Kat wrote:
> > Thank you for the reply!
> > hmm mdrun_mpi does not appear in the list of executables in
> > /usr/local/gromacs/bin (and well therefore not in /usr/local/bin).
> > Which set of installation commands that I used should have compiled the
> > mdrun_mpi executable? And how should I go about getting the mdrun_mpi
> > executable at this point?
> I see it now. When you configured with --enable-mpi, you didn't specify
> --program-suffix=_mpi, so the installation procedure over-wrote your
> (serial) mdrun with an MPI-enabled one simply called "mdrun." The
> output should have warned you about this. You could, in theory, simply
> your existing executable "mdrun_mpi" and then re-install a serial mdrun, if
> need it.
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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