[gmx-users] Compilation options

[David van der Spoel]

Stéphane Teletchéa wrote:

> Hi,
>
> 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 :
>
> ./configure
> --prefix=/home/mig/steletch/Programmes/gromacs-s3.3sse2mpilam
> --enable-sse2
> --enable-fortran
> --enable-mpi
> --disable-nice
> --with-gnu-ld
>
> 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.
>
> Stéphane
>


-- 
David.
________________________________________________________________________
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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