Open miderxi opened 2 years ago
python main_inference.py --experiment_name dMaSIF_site_3layer_16dims_9A_0.7res_150sup_epoch85 --embedding_layer dMaSIF --emb_dims 16 --n_layers 3 --resolution 0.7 --radius 9 --single_pdb 1A0G_B_B --site True --device cuda:0 0%| | 0/1 [00:00<?, ?it/s] Traceback (most recent call last): File "main_inference.py", line 86, in pdb_ids=test_pdb_ids, File "/home/v/proj/dmasif/content/MaSIF_colab/data_iteration.py", line 286, in iterate P1_batch, P2_batch = process(args, protein_pair, net) File "/home/v/proj/dmasif/content/MaSIF_colab/data_iteration.py", line 126, in process net.preprocess_surface(P1) File "/home/v/proj/dmasif/content/MaSIF_colab/model.py", line 454, in preprocess_surface distance=self.args.distance, File "/home/v/proj/dmasif/content/MaSIF_colab/geometry_processing.py", line 266, in atoms_to_points_normals atomtypes=atomtypes, File "/home/v/proj/dmasif/content/MaSIF_colab/geometry_processing.py", line 164, in soft_distances [170, 110, 152, 155, 180, 190], device=x.device RuntimeError: legacy constructor expects device type: cpubut device type: cuda was passed
python main_inference.py --experiment_name dMaSIF_site_3layer_16dims_9A_0.7res_150sup_epoch85 --embedding_layer dMaSIF --emb_dims 16 --n_layers 3 --resolution 0.7 --radius 9 --single_pdb 1A0G_B_B --site True --device cuda:0 0%| | 0/1 [00:00<?, ?it/s] Traceback (most recent call last): File "main_inference.py", line 86, in
pdb_ids=test_pdb_ids,
File "/home/v/proj/dmasif/content/MaSIF_colab/data_iteration.py", line 286, in iterate
P1_batch, P2_batch = process(args, protein_pair, net)
File "/home/v/proj/dmasif/content/MaSIF_colab/data_iteration.py", line 126, in process
net.preprocess_surface(P1)
File "/home/v/proj/dmasif/content/MaSIF_colab/model.py", line 454, in preprocess_surface
distance=self.args.distance,
File "/home/v/proj/dmasif/content/MaSIF_colab/geometry_processing.py", line 266, in atoms_to_points_normals
atomtypes=atomtypes,
File "/home/v/proj/dmasif/content/MaSIF_colab/geometry_processing.py", line 164, in soft_distances
[170, 110, 152, 155, 180, 190], device=x.device
RuntimeError: legacy constructor expects device type: cpubut device type: cuda was passed