[gmx-users] 1-week gromacs test at 112x12 cores

[Matthew Zwier]

Hi,

If you don't get any takers, you could always just make a huge box of water
(which usually dominates explicit-solvent MD costs) and run it.  That way,
you could scale up the size of the box arbitrarily to achieve good
parallelization across that many cores.  I'm not sure that'd be
scientifically useful, but it sounds like it would fit your business needs
just fine.

On Thu, Oct 6, 2011 at 9:43 AM, Maik Nijhuis <maik.nijhuis at clustervision.com
> wrote:

> Dear Gromacs users,
>
> For one of our customers I have to test a cluster using a parallel
> application that runs for 1 week on 113 nodes with 12 cores each. The nodes
> have 20GB memory available. A large Gromacs simulation would be ideal.
> Unfortunately, I do not have a proper large input file for Gromacs.
>
> Since I don't like wasting power and CPU cycles, I'd like to ask you if
> anyone has a large input file that will keep the cluster busy for one week.
> I will run the simulation for free using Gromacs 4.5.5, and send you the
> output.
>
> Please send me an email when you're interested. First come, first serve.
>
> Regards,
>
> Maik Nijhuis
> --
>  [image: clustervision_logo.png] Dr. Maik Nijhuis
> HPC Benchmark Specialist
>
>
> Direct: +31 20 407 7556
> Skype: maiknijhuis
> maik.nijhuis at clustervision.com
>
>
> ClusterVision BV
> Nieuw-Zeelandweg 15B
> 1045 AL Amsterdam
> The Netherlands
> Tel: +31 20 407 7550
> Fax: +31 84 759 8389
> www.clustervision.com
>
>
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111006/170c1dee/attachment.html>