[gmx-users] run gromacs on a single machine with mutiple CPUs

Martin Höfling martin.hoefling at gmx.de
Thu Dec 21 11:07:04 CET 2006

Am Donnerstag, 21. Dezember 2006 08:41 schrieb Seaclear Theory:

Hi Ocean,

> When I run mdrun, I got message that lamboot is not start. Then I start the
> lamboot and try to run mdrun witn "-np 4 -v N 4" (gromacs user guide


mpirun -np 4 mdrun -np4 -bla -blubb
This should be necessary on most machines. Mpirun starts the necessary 
processes on the other machines (in this case the local one). For detailed 
information about mpiruns options read the man page, but -np should be the 
most important one.


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