[Beowulf] FY;) GROMACS on the Raspberry Pi

Daniel Kidger daniel.kidger at gmail.com
Tue Sep 18 01:10:06 PDT 2012


Eugen,

I am certainly interested !
I touched on the Gromacs port to ClearSpeed when I worked there - I then
went on to write the port of AMBER to CS
plus I have a pair of RPis that I tinker with.

Simon Cox at Southampton did a publicity stunt recently - building a 64node
RPi cluster with his young son and his Lego bricks.
So far though no news of him running any scientific applications. Perhaps
you two should collaborate?

Daniel
Bull Information Systems

On 31 August 2012 15:57, Eugen Leitl <eugen at leitl.org> wrote:

>
>
> http://www.reddit.com/r/comp_chem/comments/z2rqr/gromacs_on_the_raspberry_pi/
>
> GROMACS on the Raspberry Pi (self.comp_chem)
>
> submitted 1 day ago by steelgargoyle
>
> As we all know our discipline tends to involve rather a lot of waiting
> around. In my downtime I decided, having heard that GROMACS can compile on
> ARM CPUs, to attempt to compile it on my Model B RPi. I dug out an old
> sequential Bash script I wrote which sorts the FFTW libraries out for you,
> and it actually worked.
>
> I haven't tested it yet with any simulations, because I'm actually an AMBER
> user nowadays and I've forgotten how to use GROMACS so I need to brush up,
> but if it works well I'm hoping to get another one to test the feasibility
> of
> MPI GROMACS on RPis as part of a small low-power Beowulf cluster, though
> the
> ethernet speed could limit data transfer rates.
>
> Thought this is probably the most appropriate place to post this. Let me
> know
> if you're interested and if you have any ideas.
>
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