[gmx-users] parallel gromacs

Erik Lindahl lindahl at sbc.su.se
Tue Apr 25 19:18:45 CEST 2006


It's certainly possible to do with MPI. LAM will for instance  
automatically detect the number of available CPUs, and uses fast  
shared-memory communication within each node.



On Apr 25, 2006, at 4:55 PM, <bruning at mpghdb.desy.de>  
<bruning at mpghdb.desy.de> wrote:

> hello,
> i would like to run gromacs in parallel on a single pc with 4  
> processors. as
> far as i understand it, this is not possible using mpi. is that  
> correct? and
> if so, what do i have to use instead?
> thanks,
> marc
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