cuda incompatibility

[hrahmanin]

I tried running a 3D loop extrusion example with CUDA platform but encountered an "error loading CUDA module: CUDA_ERROR_UNSUPPORTED_PTX_VERSION (222)". This error happens when the cudatoolkit is incompatible with the driver and can be fixed by installing the correct version. With this, the issue is resolved when running OpenMM examples, but it may persist while running examples from the Polychrom repository, even after upgrading/downgrading the cudatoolkit. To fix this, I install the right version of cudatoolkit before installing Polychrom, and the issue was resolved.

[henrik-dahl-pinholt]

As you also mention, I think this is related to CUDA and the nvidia drivers and not polychrom itself. A similar issue has been posted on the openmm github and they also referred to the cuda installation rather than openmm (i.e. polychrom). Is there any further issue here or did you manage to resolve it?

[gfudenberg]

I think this resolved it (for now). It's unfortunate that default cuda pulled when installing openmm via conda is not compatible in python3.8. It could be good to think about how to distribute / track compatible cuda/openmm/polychrom versions.

In an ideal world this could also be compatible with open2c environment (https://github.com/open2c/open2c_examples, which probably needs an update after @nvictus recent cooler updates) for e.g. analyzing simulated / experimental HiC in the same environment....