[gmx-users] gromacs-4.6.4 with GPU

[Szilárd Páll]

Unless you want to do implicit solvent simulations, you should not
compile with OpenMM.

Everything that's supported with CPUs using Verlet schemeworks with
GPUs, see: http://www.gromacs.org/Documentation/Cut-off_schemes#Non-bonded_scheme_feature_comparison
--
Szilárd


On Mon, Nov 25, 2013 at 12:34 PM, aixintiankong <aixintiankong at 126.com> wrote:
> Dear,
>     i have a workstation with 32 threads and a GPU, and i have installed gromacs-4.6.4 of GPU. i don't know how to use all the 32 threads and GPU to do my work. please help me.  Does the  GROMACS-4.6.4 with GPU  support leap-frog ?
>
>
>
>
>
> --
> 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.