[gmx-users] Re: a tip to run gromacs from Fink in mac duo core

Alan alanwilter at gmail.com
Wed Jul 23 11:38:41 CEST 2008


Thanks vdSpoel,

Just one more question.

So, in a dual/quad core computer, do -sort -shuffle do any difference
for better? I mean, is there use for 'sort and shuffle' in a
multi-core computer (not cluster!)?

Cheers,
Alan

On Tue, Jul 22, 2008 at 4:26 PM, Alan <alanwilter at gmail.com> wrote:
> Hi list!
>
> I would like to know among mac intel users with Fink, which gromacs
> with mpi to use:
>
> gromacs-mpi-lammpi or
> gromacs-mpi-openmpi
>
> Or there's any easier way (multi-threads is still not working in GMX, right?)?
>
>
>
> Many thanks in advance.
> Alan
>
> --
> Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
> Department of Biochemistry, University of Cambridge.
> 80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>>http://www.bio.cam.ac.uk/~awd28<<
>



-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<



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