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

[Mark Abraham]

So the state of the art in the whole field is to just blindly copy .mdp
settings from webpages rather than review the literature of related work?
Nice. :-D

Mark

On Thu, Jul 13, 2017 at 7:18 PM Téletchéa Stéphane <
stephane.teletchea at univ-nantes.fr> wrote:

> 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
> http://www.ufip.univ-nantes.fr/ - http://www.steletch.org
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.