I had also had trouble installing gmx (paralley). But now, its solved.<br>I would suggest you to see that the mpi is running or not. <br>Here is a sample mpi C program:<br>####################################################<br>
#include <stdio.h><br>#include "mpi.h"<br><br>int main( argc, argv )<br>int argc;<br>char **argv;<br>{<br> int rank, size;<br> MPI_Init( &argc, &argv );<br> MPI_Comm_size( MPI_COMM_WORLD, &size );<br>
MPI_Comm_rank( MPI_COMM_WORLD, &rank );<br> printf( "Hello world from process %d of %d\n", rank, size );<br> MPI_Finalize();<br> return 0;<br>}<br>########################################################<br>
save as mpitest.c<br>compile mpitest.c<br><br>mpirun -np 2 -machilefile mac a.out<br><br>If every thing is ok. Then the output will be :<br><br>Hello world from process<br><br clear="all"><br>Chandan<br>--<br>Chandan kumar Choudhury<br>
NCL, Pune<br>INDIA<br>
<br><br><div class="gmail_quote">On Sat, Feb 6, 2010 at 5:47 AM, Jussi Lehtola <span dir="ltr"><<a href="mailto:jussi.lehtola@helsinki.fi">jussi.lehtola@helsinki.fi</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div class="im">On Fri, 2010-02-05 at 15:29 -0500, Matthew L. Danielson wrote:<br>
> Compiling fftw and openmpi seems to finish successfully. The serial<br>
> version of gromacs installed correctly, just when i issue --enable-mpi i<br>
> am seeing this error message (i can attached the config.log if it would<br>
> help):<br>
> "checking size of int... configure: error: cannot compute sizeof (int)"<br>
><br>
> From what i can get out of the mail-archive, I think this is problem<br>
> with the mpi installation or not finding the correct files etc. I have<br>
> tried re-installing openmpi (always removing the old version) using yum<br>
> (installed version 1.3.2) and installing openmpi from their website<br>
> (1.4.1). Both seem to install correctly, yet the same error message<br>
> arises when i do ./configure --enable-mpi for gromacs.<br>
<br>
</div>What distribution are you using? If you are running Fedora 12, you need<br>
to load the MPI environment module with e.g.<br>
$ module load openmpi-x86_64<br>
<br>
Furthermore, you should have the fftw-devel and openmpi-devel packages<br>
installed on your system.<br>
--<br>
------------------------------------------------------<br>
Jussi Lehtola, FM, Tohtorikoulutettava<br>
Fysiikan laitos, Helsingin Yliopisto<br>
<a href="mailto:jussi.lehtola@helsinki.fi">jussi.lehtola@helsinki.fi</a>, p. 191 50632<br>
------------------------------------------------------<br>
Mr. Jussi Lehtola, M. Sc., Doctoral Student<br>
Department of Physics, University of Helsinki, Finland<br>
<font color="#888888"><a href="mailto:jussi.lehtola@helsinki.fi">jussi.lehtola@helsinki.fi</a><br>
------------------------------------------------------<br>
</font><div><div></div><div class="h5"><br>
<br>
--<br>
gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>
<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> before posting!<br>
Please don't post (un)subscribe requests to the list. Use the<br>
www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>
Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a><br>
</div></div></blockquote></div><br>