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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