[gmx-users] Problems with parallelisation of GROMACS on a Mac Pro (OS X)

swolf at bph.rub.de swolf at bph.rub.de
Thu Jul 31 22:39:58 CEST 2008

Hi all,
I'm having trouble with the compilation of GROMACS on a Mac Pro (OS X).
It's a  machine with two Quad-Core Intel Xeon, so 8 nodes in all. As
compiler I used the programs delivered with the Xcode tools 3.0 and for
parallelisation the LAM/MPI package delivered with the Xcode tools. The
problem now is: If I try to start a job on the 8 nodes, the program is
started 8 times (one time each node) instead of one time and distributed
on 8 nodes. The result is the same for GROMACS 3.3.1, 3.3.3 and the recent
CVS. Does anybody have a suggestion? Is the problem more related to LAM
then to GROMACS?

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