[gmx-users] Gromacs setup on dual core machine
Pohl.Jens at web.de
Wed Mar 12 09:47:28 CET 2008
> Jens Pohl wrote:
> > Hello!
> > I have a similar problem with installing gromacs on a dual core machine.
> > When I go through the procedure described by Matheus Fazian Ige Gondo a bit further down installing lam/mpi then fftw and finally gromacs everything seems to be working fine, but lam/mpi doesn't recognize the two cores and with mdrun there will be an fatal error. grompp and mdrun both were run with -np 2 and the output of mdrun says, that the file was made for two nodes but mdrun expected it to be for one node.
> > With lamnodes there is only one node on cpu0 on localhost... What to do in this case?
> Read the LAM documentation to find out how to configure lam to put two
> processes on the same host. Then, restart LAM. Then use mpirun -n 2
> mdrun -n 2 and your other options.
Thank you. I hope it'll work. When I tried yesterday I couldn't find anything useful in the documentation until a blackout stopped me...
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