diff --git a/run_alphafold.py b/run_alphafold.py index 468113476eba47fb2e28876651112b4bfc14beb7..4480afc79c5c18fe395bd1804821084d03b689d6 100644 --- a/run_alphafold.py +++ b/run_alphafold.py @@ -610,6 +610,17 @@ def main(_): print(f'Failed to create output directory {_OUTPUT_DIR.value}: {e}') raise + if _RUN_INFERENCE.value: + # Fail early on incompatible devices, but only if we're running inference. + gpu_devices = jax.local_devices(backend='gpu') + if gpu_devices and float(gpu_devices[0].compute_capability) < 8.0: + raise ValueError( + 'There are currently known unresolved numerical issues with using' + ' devices with compute capability less than 8.0. See ' + ' https://github.com/google-deepmind/alphafold3/issues/59 for' + ' tracking.' + ) + notice = textwrap.wrap( 'Running AlphaFold 3. Please note that standard AlphaFold 3 model' ' parameters are only available under terms of use provided at'