[gmx-users] Something is wrong with parallel runs

Krewson, Tom KrewsonT at roanestate.edu
Fri Apr 29 00:57:36 CEST 2005

I don't know what is wrong but when I try to do a parallel run using the
mdrun_mpi program and give the np value to say 9, the output of gromacs
always says: NNODES=1, MYRANK=0. Lamboot has booted all nodes with bhost
file successfully. The simulation runs just fine but only on one node.
Mdrun_mpi is on all nodes as well as mpi fftw and when I ssh to a
compute node I can run lamboot and mdrun_mpi without a problem. Do the
non mpi fftw and gromacs binaries need to be on each compute node for
the parallel run to work? I must be missing something easy.
Thanks for any help.

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