[gmx-users] Gromacs does not fully utilize CPU

[Irem Altan]

Hi,

I have a system with an nVidia Tesla K20 and 12 cores with hyper-threading. It normally runs with %2400 CPU. However, when there is another process working, taking up 50% CPU, Gromacs ends up using 1500% CPU instead. This results in only 67% of the total CPU being utilized. Is this expected behavior? If so, what is the best way to optimize the system?

Best,
Irem