[gmx-users] "set application clocks manually"

[Irem Altan]

Hi,

Our system administrator just installed GROMACS on the cluster. When I’m running simulations using the GPU, I get the following note:

NOTE: GROMACS was configured without NVML support hence it can not exploit
      application clocks of the detected Tesla K80 GPU to improve performance.
      Recompile with the NVML library (compatible with the driver used) or set application clocks manually.

It looks like the simulation is running fast enough, though. What does this message mean? Precisely, what is meant by “set application clocks manually."

Best,
Irem