[gmx-users] Compilation options
David van der Spoel
spoel at xray.bmc.uu.se
Fri Dec 16 17:55:19 CET 2005
Stéphane Teletchéa wrote:
> I'm trying to benchmark at best gromacs (3.3 vs 3.2 and vs scaling).
> To explore Gromacs potential, i'm playing with provided compilation
> options, for instance :
> I've looked around the ./configure --help but for instance the
> --disable-nice command is not presented (i've found it in the
> archives), the --enable-sse2 also :-(
sorry but this is all you get...
In general configure optimizes all that it can including sse2. In your
md.log file you can see what optimizations are used at runtime.
> Is there any option i can use to have better optimisations ?
> Thanks in advance for comments/pointers.
David van der Spoel, PhD, Assoc. 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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