Florian

Hello D16ERG! What you wrote made it a bit clearer, but I still have some questions. It says `Create environments for Tinker,Gaussian 09,and GDMA. Put these in a file and...

Hey! Just wanted to know if anyone made progress here. I have Driver Version: 535.86.10 and CUDA Version: 12.2, and the Solving Environment takes forever (50+ minutes before I aborted...

This happened at the "conda env create -f env/SE3nv.yml" step, so I'm not entirely sure what you mean by creating a fresh environment. My approach for now would be to...

So with Mamba it worked as far as the installation goes but now there's problems with the CUDA. A colleague tried to run the scripts and got a ModuleNotFoundError for...

Hey RJ3! Sorry, with RL I meant Rocky Linux (8), my bad. If I'm reading your reply correctly then it should work with any CUDA version installed >=11.7? Then it...

When running nvidia-smi the top right shows version 12.2. When trying to execute the commands for the installation process as given it fails with the following output during the installation...