[gmx-users] Re: mpi run problems

[Erik Lindahl]

Shavkat Mamatkulov wrote:

>Dear Erik,
>
>I create empty <FG> file and wrote there
>localhost
>localhost
>
>
>and did:
> lamboot -v FG
>
>LAM 6.5.6/MPI 2 C++/ROMIO - University of Notre Dame
>
>Executing hboot on n0 (localhost - 2 CPUs)...
>topology done
>  
>
[stuff deleted]

>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).

Cheers,

Erik