quantaosun/Dock-MD-FEP

CUDA_ERROR_UNSUPPORTED_PTX_VERSION (222)

quantaosun opened this issue · 0 comments

In case of the CUDA version error.

CUDA_ERROR_UNSUPPORTED_PTX_VERSION (222)

There are two ways to get rid of this

  1. Use nvidia-smi to print out your cuda version. In my case, it is 11.2. Use conda list | grep cudatoolkit to print out the cudatoolkit version, in my case it is 11.7. You see, the difference between the cuda driver and cuatoolkit version is where this problem lies. An easy way to fix this, is to change cudatoolkit to the same 11.2 version. by conda install -c conda-forge cudatoolkit=11.2

  2. Alternatively, you could modify the yaml file to change CUDA to OpenCL, if your platform supports OpenCL. However, this might not be as fast as CUDA in terms of utilizing GPU power.