Thanks for your quick comment David but if I tried ./configure --enable-mpi --prefix=/hpc/gromacsmpi it will complain about cant find MPI compiler, but I've already export mpcc=mpicc
On 10/18/07, David van der Spoel <[EMAIL PROTECTED]> wrote: > > liu xin wrote: > > Hello everyone > > > > I tried to install gromacs-3.3.1 on our IBM PowerPC with AIX 5.3 OS, > > this is how I've done it: > > ./configure --enable-mpi=/usr/bin --prefix=/hpc/gromacsmpi > Is this the command line you used? Try: > ./configure --enable-mpi --prefix=/hpc/gromacsmpi > > > make mdrun > > make install-mdrun > > > > then I tried to mdrun my system with 6 cpu > > grompp -f md.mdp -c -p -o 6np.tpr -np 6 -shuffle -sort > > mdrun -v -s 6np.tpr -np 6 -proces 6 -shared_memory > > > > then I get the error message telling me that "the GROMACS was compiled > > with no MPI support", but I can run mdrun with 1 cpu! > > we have installed "Parallel Environment V4.2" and "Parallel Engineering > > and Scienticfic Subroutine Library V3.2" on this machine. I am not > > familiar with the AIX OS, the MPI compiler on our machine is mpcc (I > > dont know for sure) installed in /usr/bin. > > Any suggestions will be REALLY appreciated ! > > > > Yours > > Xin Liu > > > > > > ------------------------------------------------------------------------ > > > > _______________________________________________ > > 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 > > > -- > David van der Spoel, Ph.D. > Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > _______________________________________________ > 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 >
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