I got something like this in log file Host:XXX pid:5504 nodeid :0 nnodes:1
and I think I compiled mdrun_mpi using --enable-mpi. I am wondeirng if I should use lam_mpi instead of MPICH2? thanks. On Mon, Mar 9, 2009 at 11:03 PM, Diego Enry Gomes <diego.e...@gmail.com>wrote: > On Mar 9, 2009, at 5:12 PM, Mark Abraham wrote: > > Xiang Mao wrote: > > My PC has a intel core2 cpu. I compiled gromacs under cygwin, and using > MPICH2. After mpiboot, I use mpirun -n 2 mdrun_mpi .... to run EM, MD. > > > OK that might be working right. Now you need to look in the log file for an > indication of whether the run has two component processes or one - right at > the top, usually. > > Mark > > > Hi Xiang, maybe the solution is simple and you just didn't use the > "--enable-mpi" flag in the ./configure step. > That explains the duplicate steps. > > Try a quick "ldd" test to check if MPI compilation worked. > > % which mdrun_mpi (find where mdrun was installed, mine is at > /usr/local/gmx4/bin/) > % ldd /usr/local/gmx4/bin/mdrun_mpi > > You should see "libmpi.so.0" in the list of libraries, if not, go back to > the ./configure step. > > > Diego > > -- > ========================================= > Diego Enry B Gomes | PhD Student @ UFRJ - Brazil > /tmp/home/@ Pacific Northwest National Laboratory > Richland, WA. +1 (509) 372.6363 > diegoenry.go...@pnl.gov > ========================================= > > _______________________________________________ > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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