[gmx-users] Results from different OS

[David van der Spoel]

On Wed, 2002-08-21 at 01:00, Oliver Beckstein wrote:
> Oliver
> 
> 
>  >  <====  A V E R A G E S  ====>
> >  <==  ###############  ======>
> > 
> >    Energies (kJ/mol)
> >           Angle    Proper Dih.  Improper Dih.          LJ-14     Coulomb-14
> > G4-733    2.15026e+02    8.06167e+01    6.81252e+01    9.62579e+01    1.36965e+03
> > G4-500    2.13609e+02    8.19542e+01    6.89880e+01    1.00765e+02    1.36812e+03
> >
The real question should be: are these the same processor types? If they
are, then the results should be identical. If there is a difference in
processor, or e.g. in OS libraries (math lib.) then that could also
cause a difference. 


> 
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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