Uni-Fold-jax
Uni-Fold-jax copied to clipboard
Results vary across different GPUs
Dear users,
We found that in a small amount of test cases (e. g. T1038 in CASP-14), using different GPUs may lead to different output results, sometimes with large variances on the PDB structures and their evaluation metrics. The issue is potentially caused by the kernel-fusion strategies of jax.jit, but we are not sure currently.
We are sorry for the inconvenience, and are working on locating the problem.
As a temporary solution, we suggest using NVIDIA V100 / A100 / 3090Ti for model inference on local machines.
Hi, could you please tell me what is the Cuda version you are using, would the cuda version also make a difference? Thanks a lot.
The code was tested on CUDA 11.0 (the default setting), and we reckoned in previous experiments that slight differences happened across different CUDA versions.
Thank you so much!