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

Maik Nijhuis maik.nijhuis at clustervision.com
Fri Oct 7 09:26:09 CEST 2011

2011/10/6 Matthew Zwier <mczwier at gmail.com>

> 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.
> Thank you for your suggestion. Fortunately Gromacs has an active community:
I've received multiple replies already, so anybody who's still thinking of
replying is too late.



> 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111007/0ff0ecad/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: clustervision_logo.gif
Type: image/gif
Size: 4672 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111007/0ff0ecad/attachment.gif>

More information about the gromacs.org_gmx-users mailing list