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? Thanks, Justin On Mon, Jan 24, 2011 at 8:08 PM, Justin A. Lemkul <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 | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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