David van der Spoel
spoel at xray.bmc.uu.se
Wed Jan 28 16:36:01 CET 2004
On Wed, 2004-01-28 at 15:52, aneamtu at iasi.mednet.ro wrote:
> Dear all,
> I have two questions:
> 1. I want to run my simulations on a computer with 1
> PentiumIV 3 GHz CPU which supports Hyperthreading. Is
> it possible to use this technology to speed up my
> simulations? I mean, is it possible to compile an MPI
> version of GROMACS and run it with the option -np 2
> (like 2 processors present)?
> 2. If yes, does this speed up the simulations?
On a multiprocessor machine you may even need to turn it off to avoid
Linux from scheduling two processes on the same processor. Apparently
this has been fixed in the 2.6 kernel.
> Thank you in advance,
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> gmx-users at gromacs.org
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David van der Spoel, PhD, Assist. 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://xray.bmc.uu.se/~spoel
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