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

DaJustice1 at aol.com DaJustice1 at aol.com
Mon Dec 23 16:29:16 CET 2002

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.?

Thank you ahead of time,

More information about the gromacs.org_gmx-users mailing list