[gmx-users] cpu/gpu utilization
magnus.lundborg at scilifelab.se
Fri Mar 2 09:06:44 CET 2018
Have you tried the mdrun options:
-pme cpu -nb gpu
-pme cpu -nb cpu
On 2018-03-02 07:55, Mahmood Naderan wrote:
> If you mean , then yes I read that and that recommends to use Verlet for the new algorithm depicted in figures. At least that is my understanding about offloading. If I read the wrong document or you mean there is also some other options, please let me know.
>  http://www.gromacs.org/GPU_acceleration
> On Thursday, March 1, 2018, 6:35:46 PM GMT+3:30, Szilárd Páll <pall.szilard at gmail.com> wrote:
> Have you read the "Types of GPU tasks" section of the user guide?
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