[gmx-users] Re: parallel run problems--please help
Jee E Rim
jrim at stanford.edu
Wed Feb 11 19:07:02 CET 2004
Thanks for the suggestion, I tried putting in the full path for mdrun_mpi,
but still the same errors.
And actually, even with -np 1, I cannot get mdrun_mpi to run, and I get the
MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
MPI: aborting job
And yes, I did compile with --enable-mpi for both the fftw and gromacs.
Any other suggestions?
Thanks a lot.
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