I have a computer with 16 cores and 32 threads. But, during mdrun 16 theards were used. how can i force gromacs to use 32 theards at once?
also i set -ntomp 32 but nothing changed.
I’d really appreciate it if someone help me.
You have 16 physical cores, they are reported as 32 because of hyperthreading. I think there is basically no advantage in using hyperthreading with GROMACS, so -ntomp is usually equal to the number of physical cores you want to use, which in your case is 16 if you want to use them all!
