[gmx-users] gmx gpu error gmx: error libnvidia-ml.so.1

[Syed Azeem]

Hi all,

I tried installing Gromacs 2016.4 on a new hardware with Nvidia Quadro
K420 2gb support.

Installation completed successfully following Quick and Dirty method.
But gmx is not working.

Error says:

gmx: error while loading shared libraries: libnvidia-ml.so.1: cannot
open shared object file: No such file or directory

My cmake command:

cmake '/home/tt635kkb/Documents/gromacs-2016.4'
-DGMX_BUILD_OWN_FFTW=ON -DGMX_SIMD=AVX2_256 -DGMX_GPU=on
-DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-9.0

For the toolkit, I did runfile installation from Nvidia.

Please help me out with the error

Thanks in advance

Azeem