[gmx-users] using only one socket

[Andrei Neamtu]

Hi,

I have a dual socket machine with only 1 Tesla K40. I want to run mdrun
using the cores of ONLY one CPU in conjunction with the K40.
Hyper-threading is enabled. Each CPU has 12 physical cores (24 logical
cores with hyper-threading). Which one of the following instances should I
use?

mdrun -nt 12 -pin on ....

mdrun -nt 24 -pin on ...

mdrun -nt 12 -pinoffset 0 -pinstride 1 ...

mdrun -nt 24 -pinoffset 0 -pinstride 0 ...

Thank you very much for any opinion!

Andrei