[gmx-users] install problem on IBM powerpc AIX 5.3

[liu xin]

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 <spoel at xray.bmc.uu.se> 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
> >
> >
> > ------------------------------------------------------------------------
> >
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>
> --
> 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.
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://folding.bmc.uu.se
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