[gmx-users] mdrun with multiple threads support
David van der Spoel
spoel at xray.bmc.uu.se
Thu Dec 20 07:23:00 CET 2007
Mark Abraham wrote:
> Limei Zhang wrote:
>> Hi, there,
>>
>> I had a problem running mdrun on multiple processors and multiple
>> threads.
>
> Thread support will not be available until GROMACS 4.0
Make that 5.0
But it will be a lot faster in 4.0 already.
>
> Mark
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
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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