<div>Thanks for your quick comment David</div>
<div>but if I tried<br>./configure --enable-mpi --prefix=/hpc/gromacsmpi<br>it will complain about cant find MPI compiler, but I've already export mpcc=mpicc</div>
<div> </div>
<div><span class="gmail_quote">On 10/18/07, <b class="gmail_sendername">David van der Spoel</b> <<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">liu xin wrote:<br>> Hello everyone<br>><br>> I tried to install gromacs-3.3.1 on our IBM PowerPC with AIX
5.3 OS,<br>> this is how I've done it:<br>> ./configure --enable-mpi=/usr/bin --prefix=/hpc/gromacsmpi<br>Is this the command line you used? Try:<br>./configure --enable-mpi --prefix=/hpc/gromacsmpi<br><br>> make mdrun
<br>> make install-mdrun<br>><br>> then I tried to mdrun my system with 6 cpu<br>> grompp -f md.mdp -c -p -o 6np.tpr -np 6 -shuffle -sort<br>> mdrun -v -s 6np.tpr -np 6 -proces 6 -shared_memory<br>><br>> then I get the error message telling me that "the GROMACS was compiled
<br>> with no MPI support", but I can run mdrun with 1 cpu!<br>> we have installed "Parallel Environment V4.2" and "Parallel Engineering<br>> and Scienticfic Subroutine Library V3.2" on this machine. I am not
<br>> familiar with the AIX OS, the MPI compiler on our machine is mpcc (I<br>> dont know for sure) installed in /usr/bin.<br>> Any suggestions will be REALLY appreciated !<br>><br>> Yours<br>> Xin Liu<br>
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