[gmx-users] about the run program in gromacs 4.0.3

Jussi Lehtola jussi.lehtola at helsinki.fi
Mon Jan 26 10:59:29 CET 2009


On Mon, 2009-01-26 at 10:54 +0100, XAvier Periole wrote:
> in the gmx-4.X versions you do not need to specify the number of CPU t
> grompp but only to mdrun ...

Not mdrun, but to the MPI run program (mpirun / aprun &c).
-- 
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
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Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
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