NVML library path

Question

I compiled a software (GROMACS 2016.3) using cmake (3.5.1) with the following flags:

cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_MPI=on -DGMX_GPU=on -DGMX_OPENMP=on -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-8.0 -DGPU_DEPLOYMENT_KIT_ROOT_DIR=/usr/local/cuda-8.0

CUDA libraries 8.0 were installed from deb with the default paths.

When the software runs it throws a warning as GROMACS was configured without NVML support ... Recompile with the NVML library.

How can I make it see such library? Am I giving the wrong paths to cmake? (No warnings or errors arise when compiling gromacs).

Many thanks

Answer 1

I am currently compiling GROMACS to support NVML as well, and here is how I got it to work: add this to your cmake, substitute your paths as needed.

-DNVML_INCLUDE_DIR=/usr/cuda_toolkit/8.0.61/include -DNVML_LIBRARY=/usr/cuda_toolkit/8.0.61/lib64/stubs/libnvidia-ml.so

NVML is included as of CUDA 8+, no longer a separate install.