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Can not run DynamicsBind due to Error #28

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GM-33 opened this issue Jul 9, 2024 · 0 comments
Open

Can not run DynamicsBind due to Error #28

GM-33 opened this issue Jul 9, 2024 · 0 comments

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@GM-33
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GM-33 commented Jul 9, 2024

python run_single_protein_inference.py 1qg8_cleaned.pdb ligand.csv --savings_per_complex 40 --inference_steps 20 --header test --device 0 --python /home/mustafag/Downloads/softwares/yes/envs/dynamicbind/bin/python --relax_python /home/mustafag/Downloads/softwares/yes/envs/relax/bin/python
INFO:root:run_single_protein_inference.py 1qg8_cleaned.pdb ligand.csv --savings_per_complex 40 --inference_steps 20 --header test --device 0 --python /home/mustafag/Downloads/softwares/yes/envs/dynamicbind/bin/python --relax_python /home/mustafag/Downloads/softwares/yes/envs/relax/bin/python
2024_07_09_20_29

/home/mustafag/Downloads/softwares/conda_env/DynamicBind/run_single_protein_inference.py /home/mustafag/Downloads/softwares/conda_env/DynamicBind
100%|████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████| 1/1 [00:00<00:00, 56.57it/s]
hub dir /home/mustafag/Downloads/softwares/conda_env/DynamicBind/esm_models
Read data/prepared_for_esm_test.fasta with 1 sequences
Processing 1 of 1 batches (1 sequences)
Traceback (most recent call last):
File "/home/mustafag/Downloads/softwares/conda_env/DynamicBind/inference.py", line 27, in
from torch_geometric.loader import DataLoader
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/init.py", line 13, in
import torch_geometric.datasets
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/datasets/init.py", line 101, in
from .explainer_dataset import ExplainerDataset
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/datasets/explainer_dataset.py", line 9, in
from torch_geometric.explain import Explanation
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/explain/init.py", line 3, in
from .algorithm import * # noqa
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/explain/algorithm/init.py", line 1, in
from .base import ExplainerAlgorithm
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/explain/algorithm/base.py", line 14, in
from torch_geometric.nn import MessagePassing
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/nn/init.py", line 5, in
from .to_hetero_with_bases_transformer import to_hetero_with_bases
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/nn/to_hetero_with_bases_transformer.py", line 9, in
from torch_geometric.nn.conv import MessagePassing
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/nn/conv/init.py", line 8, in
from .gravnet_conv import GravNetConv
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_geometric/nn/conv/gravnet_conv.py", line 13, in
from torch_cluster import knn
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_cluster/init.py", line 18, in
torch.ops.load_library(spec.origin)
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch/_ops.py", line 573, in load_library
ctypes.CDLL(path)
File "/home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/ctypes/init.py", line 374, in init
self._handle = _dlopen(self._name, mode)
OSError: /home/mustafag/Downloads/softwares/yes/envs/dynamicbind/lib/python3.10/site-packages/torch_cluster/_version_cuda.so: undefined symbol: _ZN5torch3jit17parseSchemaOrNameERKSs

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