Steffen, if don't intend to use GMX double precision, why not use Gromacs from FINK? It's all there. Use ommpi also, instead of lammpi (seems broken in Fink too).
Then you can do something like: # with openmpi, for a dual core grompp -f em.mdp -c Complex_b4em.pdb -p Complex.top -o em.tpr -np 2 om-mpirun -n 2 mdrun_mpi -v -deffnm em grompp -f md.mdp -c em.gro -p Complex.top -o md.tpr -np 2 -sort -shuffle om-mpirun -n 2 mdrun_mpi -v -deffnm md Cheers, Alan On Thu, Jul 31, 2008 at 4:40 PM, <[EMAIL PROTECTED]> wrote: > Hi all, > I'm having trouble with the compilation of GROMACS on a Mac Pro (OS X). > It's a machine with two Quad-Core Intel Xeon, so 8 nodes in all. As > compiler I used the programs delivered with the Xcode tools 3.0 and for > parallelisation the LAM/MPI package delivered with the Xcode tools. The > problem now is: If I try to start a job on the 8 nodes, the program is > started 8 times (one time each node) instead of one time and distributed > on 8 nodes. The result is the same for GROMACS 3.3.1, 3.3.3 and the recent > CVS. Does anybody have a suggestion? Is the problem more related to LAM > then to GROMACS? > Greetings > Steffen -- Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate Department of Biochemistry, University of Cambridge. 80 Tennis Court Road, Cambridge CB2 1GA, UK. >>http://www.bio.cam.ac.uk/~awd28<< _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
