[gmx-users] Compiling 4.0.7 parallel fails

[Jussi Lehtola]

On Fri, 2010-02-05 at 15:29 -0500, Matthew L. Danielson wrote:
> Compiling fftw and openmpi seems to finish successfully.  The serial 
> version of gromacs installed correctly, just when i issue --enable-mpi i 
> am seeing this error message (i can attached the config.log if it would 
> help):
> "checking size of int... configure: error: cannot compute sizeof (int)"
> 
>  From what i can get out of the mail-archive, I think this is  problem 
> with the mpi installation or not finding the correct files etc.  I have 
> tried re-installing openmpi (always removing the old version) using yum 
> (installed version 1.3.2) and installing openmpi from their website 
> (1.4.1).  Both seem to install correctly, yet the same error message 
> arises when i do ./configure --enable-mpi for gromacs.

What distribution are you using? If you are running Fedora 12, you need
to load the MPI environment module with e.g.
 $ module load openmpi-x86_64

Furthermore, you should have the fftw-devel and openmpi-devel packages
installed on your system.
-- 
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
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Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
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