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 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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