On 26/01/2011 8:50 AM, Justin Kat wrote:
Alright. So meaning I should have instead issued:
./configure --enable-mpi --program-suffix=_mpi||
make mdrun
make install-mdrun
make links
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?
No. See http://www.gromacs.org/Downloads/Installation_Instructions
Mark
Thanks,
Justin
On Mon, Jan 24, 2011 at 8:08 PM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@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 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 <http://vt.edu> | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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