On Tue, 2008-11-18 at 14:02 -0800, Nicholas Geraedts wrote: > Jussi - I tried installing the packages from the EPEL repo. I removed > the old LAM installation so there's no remnants of it, but now I can't > find mpirun anywhere. It's not listed in the path, nor can I find it > in any of the "usual" installation locations. Any thoughts? gromacs > and gromacs-mpi installed and I can find them using their g_* names.
In order to prevent name clashes with other packages (GROMACS contains e.g. binaries named luck, wheel, fortune, editconf and so on) some binaries had to be renamed. The binaries are in /usr/bin. In order to keep it simple, I renamed all binaries to begin with g_, so grompp is g_grompp, and mdrun is g_mdrun. The naming adheres to the naming of the analysis tools, and is quite quick to get used to. Double precision binaries are suffixed _d. MPI binaries are suffixed _mpi (_mpi_d for double precision). Example: g_mdrun (single precision) g_mdrun_d (double precision) g_mdrun_mpi (single precision, MPI) g_mdrun_mpi_d (double precision, MPI) You can list the files owned by e.g. the gromacs package with $ rpm -ql gromacs -- ------------------------------------------------------ Jussi Lehtola, FM, Tohtorikoulutettava Fysiikan laitos, Helsingin Yliopisto [EMAIL PROTECTED], p. 191 50623 ------------------------------------------------------ Mr. Jussi Lehtola, M. Sc., Doctoral Student Department of Physics, University of Helsinki, Finland [EMAIL PROTECTED] ------------------------------------------------------ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
