[gmx-users] Can gromacs be compiled for "openmp"

[David van der Spoel]

On 4/3/10 1:08 PM, lina wrote:
> Hi everyone,
>
> Can gromacs be compiled for "openmp"
>
> Due to use mulitcore processors, so I am interested in how to compile
> with openmp.
>
> Thanks and regards,
>
> lina
There is no openmp implementation of mdrun in gromacs. The upcoming 
version 4.5 will have a threaded implementation though, but for now you 
need to compile with MPI.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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