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== CUDA ==
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CUDA Version 11.3.1
Container image Copyright (c) 2016-2022, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
This container image and its contents are governed by the NVIDIA Deep Learning Container License.
By pulling and using the container, you accept the terms and conditions of this license:
https://developer.nvidia.com/ngc/nvidia-deep-learning-container-license
A copy of this license is made available in this container at /NGC-DL-CONTAINER-LICENSE for your convenience.
/opt/conda/lib/python3.9/site-packages/scipy/__init__.py:146: UserWarning: A NumPy version >=1.16.5 and <1.23.0 is required for this version of SciPy (detected version 1.26.4
warnings.warn(f"A NumPy version >={np_minversion} and <{np_maxversion}"
[2024-08-02 10:10:26,735] [INFO] [real_accelerator.py:161:get_accelerator] Setting ds_accelerator to cuda (auto detect)
Traceback (most recent call last):
File "/opt/openfold/run_pretrained_openfold.py", line 498, in <module>
main(args)
File "/opt/openfold/run_pretrained_openfold.py", line 288, in main
for model, output_directory in model_generator:
File "/opt/openfold/openfold/utils/script_utils.py", line 97, in load_models_from_command_line
d = torch.load(ckpt_path)
File "/opt/conda/lib/python3.9/site-packages/torch/serialization.py", line 705, in load
with _open_zipfile_reader(opened_file) as opened_zipfile:
File "/opt/conda/lib/python3.9/site-packages/torch/serialization.py", line 242, in __init__
super(_open_zipfile_reader, self).__init__(torch._C.PyTorchFileReader(name_or_buffer))
RuntimeError: Expected hasRecord("version") to be true, but got false. (Could this error message be improved? If so, please report an enhancement request to PyTorch.)
I downloaded the alphafold weights from https://storage.googleapis.com/alphafold/alphafold_params_2022-12-06.tar
Running the docker with
results in