Summary

I attempted to install DMFF by following the guidelines in the installation markdown file. However, there appears to be some confusion regarding the CUDA version and its dependencies. After completing all the installation steps, I encountered an issue: OpenMM requires CUDA Toolkit 11.1, but the JAX version demands CUDA Toolkit 11.8.

DMFF Version

1.0

JAX Version

0.4.23

OpenMM Version

7.7

Python Version, CUDA Version, GCC Version, Operating System Version etc

python=3.9
ubuntu 20.04
cuda on ubuntu =11.4

Details

As the summary said, is the installation tutorial is outdated?