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 existing
(serial) mdrun with an MPI-enabled one simply called "mdrun." The configure
output should have warned you about this. You could, in theory, simply re-name
your existing executable "mdrun_mpi" and then re-install a serial mdrun, if you
need it.
-Justin
--
========================================
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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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