[gmx-users] Help on MD performance, GPU has less load than CPU.

Téletchéa Stéphane stephane.teletchea at univ-nantes.fr
Thu Jul 13 19:17:46 CEST 2017


Le 12/07/2017 à 18:15, Mark Abraham a écrit :
> Hi,
> 
> Sure. But who has data that shows that e.g. a free-energy calculation with
> the defaults produces lower quality observables than you get with the
> defaults?
> 
> Mark

Hi,

As defaults are defaults ... who knows :-) To get number in front of 
these assumptions is hard, and probably nobody wants to do this on a 
large scale ... But I'm too close to holidays to argue on this point by now!

Stéphane

-- 
Assistant Professor in BioInformatics, UFIP, UMR 6286 CNRS, Team Protein 
Design In Silico
UFR Sciences et Techniques, 2, rue de la Houssinière, Bât. 25, 44322 
Nantes cedex 03, France
Tél : +33 251 125 636 / Fax : +33 251 125 632
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