[gmx-users] Results of villin headpiece with AMD 8 core

[Wahab Mirco]

Hi Paul,

On 14.01.2019 02:48, pbuscemi wrote:
> Here are the results for three runs of the million atoms DPPC
> ===============================8 core 2700x 1080ti ==================================
> gmx mdrun -deffnm dppc.md -nb gpu -pme gpu -ntmpi 4 -ntomp 4 -npme 1 -gputasks 0000
> Core t (s) Wall t (s) (%)
> Time: 5286.270 330.392 1600.0
> (ns/day) (hour/ns)
> Performance: 5.126 4.682

That' very interesting for me. Naively, normally I would have started
gromacs like:
  mdrun -v
and let Gromacs work out the details. After your post, I
considered:
  mdrun -nb gpu -pme gpu -ntmpi 4 -ntomp 4 -npme 1 -gputasks 0000 -v
and i'ts *much* faster on the Ryzen 2 2700X (@4GHz) system:

ns/d | sys         | cmd
3.24 | GTX 1080    | -pin on -v
4.61 | GTX 1080    | -nb gpu -pme gpu -ntmpi 4 -ntomp 4 -npme 1 
-gputasks 0000 -pin on -v
5.13 | GTX 1080 Ti | -nb gpu -pme gpu -ntmpi 4 -ntomp 4 -npme 1 
-gputasks 0000

This means, on this huge system the 1080 Ti is about 12% faster
than the 1080. I would have expected a much larger margin.

Thank you,

Mirco