Thank you for the quick update of the code, but still (at least for my configuration) it doesn't work with gpu, running with updated scripts with ./alphafold.sh:
Saving output to T1019s2_out/
Launching model: D 0
Launching model: B 0
Launching model: T 0
Launching model: D 1
Launching model: B 1
Launching model: D 2
Launching model: B 2
Launching model: D 3
Launching model: B 3
All models running, waiting for them to complete
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Background/2
Background model: tf_model_path/916425
Replica: 2
Device: cuda
Model parameters: 1091392
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Background/1
Background model: tf_model_path/916425
Replica: 1
Device: cuda
Model parameters: 1815936
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Background/3
Background model: tf_model_path/916425
Replica: 3
Device: cuda
Model parameters: 1924992
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Background/0
Background model: tf_model_path/916425
Replica: 0
Device: cuda
Model parameters: 1029568
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
File "alphafold.py", line 223, in
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Distogram/1
Distogram model: tf_model_path/873731
Replica: 1
Device: cuda
Model parameters: 21182345
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Distogram/0
Distogram model: tf_model_path/873731
Replica: 0
Device: cuda
Model parameters: 21182345
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
File "alphafold.py", line 223, in
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Distogram/2
Distogram model: tf_model_path/873731
Replica: 2
Device: cuda
Model parameters: 22381993
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Distogram/3
Distogram model: tf_model_path/873731
Replica: 3
Device: cuda
Model parameters: 22381993
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
My config: pytorch conda env with pytorch 1.4, tensorflow-gpu 2.1, Nvidia Geforce 1070GTX:
Thank you for the quick update of the code, but still (at least for my configuration) it doesn't work with gpu, running with updated scripts with ./alphafold.sh:
Saving output to T1019s2_out/
Launching model: D 0 Launching model: B 0 Launching model: T 0 Launching model: D 1 Launching model: B 1 Launching model: D 2 Launching model: B 2 Launching model: D 3 Launching model: B 3 All models running, waiting for them to complete
Traceback (most recent call last): Input file: test_data/T1019s2.pkl Output dir: T1019s2_out/Background/2 Background model: tf_model_path/916425 Replica: 2 Device: cuda Model parameters: 1091392 File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Background/1
Background model: tf_model_path/916425
Replica: 1
Device: cuda
Model parameters: 1815936
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Background/3
Background model: tf_model_path/916425
Replica: 3
Device: cuda
Model parameters: 1924992
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Background/0
Background model: tf_model_path/916425
Replica: 0
Device: cuda
Model parameters: 1029568
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
File "alphafold.py", line 223, in
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Distogram/1
Distogram model: tf_model_path/873731
Replica: 1
Device: cuda
Model parameters: 21182345
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Distogram/0
Distogram model: tf_model_path/873731
Replica: 0
Device: cuda
Model parameters: 21182345
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
File "alphafold.py", line 223, in
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Distogram/2
Distogram model: tf_model_path/873731
Replica: 2
Device: cuda
Model parameters: 22381993
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
Traceback (most recent call last):
Input file: test_data/T1019s2.pkl
Output dir: T1019s2_out/Distogram/3
Distogram model: tf_model_path/873731
Replica: 3
Device: cuda
Model parameters: 22381993
File "alphafold.py", line 223, in
run_eval(TARGET_PATH, MODEL_PATH, REPLICA, OUT_DIR, DEVICE)
File "alphafold.py", line 18, in run_eval
model.load_state_dict(torch.load(model_file, map_location=device))
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 303, in load
return _load(f, map_location, pickle_module)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 469, in _load
result = unpickler.load()
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 437, in persistent_load
data_type(size), location)
File "/scratch/domeemod/anaconda3/envs/pytorch_env/lib/python3.6/site-packages/torch/serialization.py", line 323, in restore_location
result = map_location(storage, location)
TypeError: 'torch.Device' object is not callable
My config: pytorch conda env with pytorch 1.4, tensorflow-gpu 2.1, Nvidia Geforce 1070GTX:
+-----------------------------------------------------------------------------+ | NVIDIA-SMI 430.26 Driver Version: 430.26 CUDA Version: 10.2 | |-------------------------------+----------------------+----------------------+