[gmx-users] Re: mpi run problems
lindahl at stanford.edu
Wed Jan 15 19:09:28 CET 2003
Shavkat Mamatkulov wrote:
>I create empty <FG> file and wrote there
> lamboot -v FG
>LAM 6.5.6/MPI 2 C++/ROMIO - University of Notre Dame
>Executing hboot on n0 (localhost - 2 CPUs)...
>perhaps mdrun_mpi compiled not properly for mpi run am I right?
No, it probably compiled OK, otherwise it wouldn't have the _mpi extension.
Did you use a command like (the first -np flag is important, the one for
mdrun probably not)
mpirun -np 2 ./mdrun_mpi -np 2 -s topology.tpr -v
(The -v flag just gives you some additional verbosity).
If this doesn't work, try to compile and run a very small MPI test
program (I'm pretty
sure one is included in LAM; check www.lam-mpi.org if you cannot find it).
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