Support for CUDA13.0 + Blackwell/B200?

[pingzhili]

Thanks for the work! Does this lib support CUDA 13.0 on Blackwell/B200 arch, or is there any ETA?

[peastman]

So far as I know it should work. Try installing with

pip install openmmtorch[cuda13]

If you have problems let me know. (But see openmm/openmm-build-wheels#37, which may cause problems. It's an NVIDIA bug that will hopefully be fixed soon. You can work around it by setting LD_LIBRARY_PATH.)

We don't have conda packages for CUDA 13 yet, but we do have packages for CUDA 12.9 which supports Blackwell.