[gmx-users] GETTING GOOD PERFORMANCE FROM MDRUN

[Vidya R]

Hi,

How to get good (and fast) performance from mdrun through available 8
logical CPU cores?

When I gave,

gmx mdrun -ntmpi 2 -ntomp 4 -v -deffnm eq

It seems to be slow, much slower than

gmx mdrun -v -deffnm eq.

Can anyone help?

Thanks,
Vidya R