Error when building relion with many recent commits that changed CMakeLists

[xeniorn]

Error when building relion with many recent commits that changed CMakeLists

[xeniorn]

Apologies, obviously an error on our end, we were using a flag -DCUDA_ARCH=12.0.0 erroneously. I wonder why it ever worked? Works after this is taken out.

Perhaps a follow-up question - is there an advantage of making separate compilations of relion for nodes having different gpus? We have P100s, V100s, and A100s, all supporting different compute capabilities. We can go for a single install with the lowest common denominator (P100 = sm60), but will we have better performance on A100s if we compile it there with sm80?

If yes, would multi-node jobs still work between nodes that have relion compiled with different cuda compute capabilities?

[biochem-fan]

will we have better performance on A100s if we compile it there with sm80?

Theoretically yes but when I tested this before, the difference was less than 5 %. Of course this depends on the card and the task (is the GPU really limiting?). You should test on your hardware and dataset.

would multi-node jobs still work between nodes that have relion compiled with different cuda compute capabilities?

Yes.

[xeniorn]

Ok, given that we have many people running very different projects and so can't do focused optimization, 5 % potential gain we'll probably skip.

Many thanks for your input!