[gmx-users] NVML does not come separate starting from Cuda 8.0

[Mat B]

CUDA starting from the version 8.0 is not separated from the NVML library
any more, and cannot be downloaded independently. NVML is part of the
toolkit. However, the documentation requires the
GPU_DEPLOYMENT_KIT_ROOT_DIR to find NVML.

I have tried setting the variable to multiple combinations including the
CUDA directories, nvidia driver directory and their subdirectories to no
avail. At the same time the CUDA toolkit directory contains a single NVML
code example which I can compile and run successfully.

Can you advice me on how to configure gromacs to use NVML? Right now I am
ending up with the message:
-- Could NOT find NVML (missing:  NVML_LIBRARY)
CMake Error at cmake/gmxManageGPU.cmake:176 (message):
  NVML support was required, but was not detected.  Please consult the
  install guide.
Call Stack (most recent call first):
  CMakeLists.txt:214 (include)


Thanks,
Mateusz Bieniek