[gmx-users] dual gpu setup questions

[Johannes Wagner]

hey all,
got a few questions for people with dual-gpu setups:

- does anyone have tested and well performing explicit threading parameters for a typical GPU compute node with 2 CPU's + HT and dual GPU? The automatic settings for our hardware (2x8core cpu + HT & dual GPU) take 8MPI x 4OMP, which I find odd. Did not start testing and playing around yet, wanted to ask here before...

- for anyone using 980ti or Titan X cards, in a clear GPU limited case, whats the maximum GPU utilization one can observe (e.g. using nvidia-smi)?

- for anyone using dual 980Ti or Titan X setups, what is the required CPU to have a more or less balanced CPU/GPU utilization?

thanks, Johannes