[gmx-users] Is there a way to compile gromacs with MPICH instead of LAM?

[David van der Spoel]

Florian Haberl wrote:
> Hi,
> 
> 
> On Saturday, 14. July 2007 01:03, Jim Kress wrote:
>> Is there a way to compile gromacs with MPICH instead of LAM?  I assume fftw
>> would also have to be recompiled as well.  I found an article for gromacs
>> version 2.xxx but the info in that article did not match anything for
>> v3.xxx
> 
> 
> gromacs 3.3.x uses fftw 3.x the parallelisation is implemented in gromacs 
> itself, and not as before in fftw.
> 
> You can also compile it with mpich ( --enable-mpi and you should have 
> something like /opt/mpich/ch-p4/bin in your path)

you do need a recent version of mpich though (> 2)
> 
>> Thanks for your help,
>>
>> Jim Kress
>>
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> 
> Greetings,
> 
> Florian
> 


-- 
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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