Run singularity with gpu support under WSL

Issue

run a gromacs gpu container under WSL will encounter a driver issue.

singularity run --nv -B .:/host_pwd --pwd /host_pwd docker://nvcr.io/hpc/gromacs:2023.2 ls

INFO:	Using cached SIF image
ERROR Failed to verify GPU driver: Failed to detect host CUDA driver version: nvml init failed: Unable to load the NVML library
FATAL Please double check that GPU passthrough is enabled: `--nv` (Singularity), `--gpus all` (Docker)

Solution

add the --nvccli option

singularity run --nv --nvccli -B .:/host_pwd --pwd /host_pwd docker://nvcr.io/hpc/gromacs:2023.2 ls

Extra Notes

• "Because the --nvccli functionality is a new, and still experimental, feature the pre-built packages are not setup to use it by default. Open the file /etc/singularity/singularity.conf in an editor (e.g. nano /etc/singularity/singularity.conf) and find the line that begins nvidia-container-cli path =. Change it to read"
• Sometimes the configuration file can be found in another place: /usr/local/etc/singularity

Reference