2011/10/6 Matthew Zwier <[email protected]> > 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.
Regards, Maik > On Thu, Oct 6, 2011 at 9:43 AM, Maik Nijhuis < > [email protected]> 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 [email protected] ClusterVision BV Nieuw-Zeelandweg 15B 1045 AL Amsterdam The Netherlands Tel: +31 20 407 7550 Fax: +31 84 759 8389 www.clustervision.com
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