[gmx-users] mpirun on lam again

[Erik Lindahl]

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>looks like I have these in /usr/local/lib :
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>sasidhar at cluster:/usr/local/lib$ ls *mpi.so
>libfftw_mpi.so  libmd_mpi.so     libsfftw_mpi.so
>libgmx_mpi.so   librfftw_mpi.so  libsrfftw_mpi.so
>sasidhar at cluster:/usr/local/lib$ ls *mpi.so.2
>libfftw_mpi.so.2  libmd_mpi.so.2     libsfftw_mpi.so.2
>libgmx_mpi.so.2   librfftw_mpi.so.2  libsrfftw_mpi.so.2
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If they are present on all the cluster nodes it should be ok - no reason 
to use LD_LIBRARY_PATH.

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>I also used -x LD_LIBRARY_PATH option with mpirun. Still same error.
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>Lam version: LAM 6.5.6/MPI 2 C++/ROMIO - University of Notre Dame
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>May be lam version is a problem ?
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Ah, that could be it. Different versions of LAM are *NOT* compatible 
with each other according to the LAM homepage homepage, you have to run 
the code with exactly the same version of LAM as you used to compile it. 
Either install the lam package from the gromacs homepage, or compile it 
(it's easy) on your system. I'd recommend the latter :-)

Cheers,

Erik