aab

I am experiencing an issue with running QM calculations on individual GPUs. When assigning QM calculations to separate GPUs, the calculations terminate prematurely without completing. This issue does not occur...

Hello, I'm trying to build xtb with GPU support on my system and have followed the instructions from the documentation ([Building with GPU support](https://xtb-docs.readthedocs.io/en/latest/development.html#building-with-gpu-support)). However, I've encountered an issue during...