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

[David]

On Mon, 2002-12-23 at 16:53, DaJustice1 at aol.com wrote:
> 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.
> 
> Reply:
> 
> I get the same errors.
are you sure you have compiled mdrun for use with mpi ?
are you sure the mpi library you use is the same as the one that mpirun
belongs to?

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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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