[gmx-users] mpi.h is missing...

Jussi Lehtola jussi.lehtola at helsinki.fi
Mon May 12 09:54:31 CEST 2008


On Mon, 2008-05-12 at 17:25 +1000, Mark Abraham wrote:
> However unless one is comfortable removing the old lam package to avoid 
> conflicts, it is much simpler (and still correct) for a user new to MPI 
> compilation of GROMACS to simply install the package lam-devel using the 
> mechanism for their OS.

Well, this depends on the distro. In RedHat/Fedora you can have both lam
and openmpi installed, the lam compilers are invoked using lamcc and
lamf77. But you are right, in SuSE the packages lam-devel and
openmpi-devel seem to conflict, as their wrappers have the same names.

Anyway, if you want to do also other MPI stuff than Gromacs, I recommend
OpenMPI since it has Fortran 90 and full MPI 2 support.
-- 
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50673
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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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