[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
following errors,

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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