[gmx-users] cpu/gpu utilization

[Szilárd Páll]

On Thu, Mar 1, 2018 at 8:25 AM, Mahmood Naderan <nt_mahmood at yahoo.com>
wrote:

> >(try the other parallel modes)
>
> Do you mean OpenMP and MPI?
>

No, I meant different offload modes.


>
> >- as noted above try offloading only the nonbondeds (or possibly the
> hybrid PME mode -pmefft cpu)
>
> May I know how? Which part of the documentation says about that?
>

http://manual.gromacs.org/documentation/current/user-guide/mdrun-performance.html#types-of-gpu-tasks
http://manual.gromacs.org/documentation/current/onlinehelp/gmx-mdrun.html


>
>
> Regards,
> Mahmood
>
>