[gmx-users] lam/mpi errors w/ Dual G4 Mac

DaJustice1 at aol.com DaJustice1 at aol.com
Mon Dec 23 16:53:58 CET 2002

On Mon, 2002-12-23 at 16:29, DaJustice1 at aol.com wrote:
> Hello all and Happy Holidays,
> I am having problems running lam/mpi on a Dual G4 Mac.  I receive echoed output and an error:
> Fatal error: run input file /Users/david/Desktop/single/cpeptide_em.tpr was made for 2 nodes,
>             while mdrun expected it to be for 1 nodes.
> When I "lamboot -v" it recognizes that I have two CPUs on one node.  I have ran the test program for lam/mpi that is on the lam-mpi.org websight, and it ended with no errors.  My exec. lines are as follows.
> grompp -np 2 -f em -c ${MOL}_b4em -p ${MOL} -o ${MOL}_em >& ! output.grompp_em
> mpirun -np 2 -D -lamd -O -v /usr/local/gromacs/powerpc-apple-darwin6.1/bin/mdrun -deffnm /Users/david/Desktop/single/ -s ${pthMOL}_em -o ${pthMOL}_em -c ${pthMOL}_b4pr -v  >& ! output.mdrun_em
> Whats is the prob.?
I think you want to do:
mpirun -c 2 -O /usr/local/gromacs/powerpc-apple-darwin6.1/bin/mdrun etc.


I get the same errors.

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