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remove log file
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@@ -1,44 +0,0 @@
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Traceback (most recent call last):
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File "/mnt/home/rohith/BFF/RF2_allatom/./train_multi_EMA.py", line 1591, in <module>
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train.run_model_training(torch.cuda.device_count())
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File "/mnt/home/rohith/BFF/RF2_allatom/./train_multi_EMA.py", line 481, in run_model_training
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mp.spawn(self.train_model, args=(world_size,), nprocs=world_size, join=True)
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/multiprocessing/spawn.py", line 240, in spawn
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return start_processes(fn, args, nprocs, join, daemon, start_method='spawn')
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/multiprocessing/spawn.py", line 198, in start_processes
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while not context.join():
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/multiprocessing/spawn.py", line 160, in join
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raise ProcessRaisedException(msg, error_index, failed_process.pid)
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torch.multiprocessing.spawn.ProcessRaisedException:
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-- Process 0 terminated with the following error:
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Traceback (most recent call last):
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/multiprocessing/spawn.py", line 69, in _wrap
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fn(i, *args)
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File "/mnt/home/rohith/BFF/RF2_allatom/train_multi_EMA.py", line 731, in train_model
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_, _, _ = self.valid_ppi_cycle(
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File "/mnt/home/rohith/BFF/RF2_allatom/train_multi_EMA.py", line 1235, in valid_ppi_cycle
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for seq, msa, msa_masked, msa_full, mask_msa, true_crds, mask_crds, idx_pdb, xyz_t, t1d, xyz_prev, same_chain, unclamp, negative, atom_frames, bond_feats in valid_pos_loader:
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/utils/data/dataloader.py", line 530, in __next__
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data = self._next_data()
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/utils/data/dataloader.py", line 1224, in _next_data
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return self._process_data(data)
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/utils/data/dataloader.py", line 1250, in _process_data
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data.reraise()
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/_utils.py", line 457, in reraise
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raise exception
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NameError: Caught NameError in DataLoader worker process 0.
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Original Traceback (most recent call last):
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/utils/data/_utils/worker.py", line 287, in _worker_loop
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data = fetcher.fetch(index)
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/utils/data/_utils/fetch.py", line 49, in fetch
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data = [self.dataset[idx] for idx in possibly_batched_index]
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File "/home/rohith/anaconda3/envs/dlchem/lib/python3.9/site-packages/torch/utils/data/_utils/fetch.py", line 49, in <listcomp>
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data = [self.dataset[idx] for idx in possibly_batched_index]
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File "/mnt/home/rohith/BFF/RF2_allatom/data_loader.py", line 1558, in __getitem__
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out = self.loader(
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File "/mnt/home/rohith/BFF/RF2_allatom/data_loader.py", line 1271, in loader_na_complex
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bond_feats[:L_s[0], :L_s[0]] = get_protein_bond_feats(L_s[0])
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NameError: name 'L_s' is not defined
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@@ -1,10 +0,0 @@
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Namespace(model_name='BFFligand', batch_size=1, lr=0.001, num_epochs=400, step_lr=300, port=12345, accum=4, eval=True, maxseq=1024, maxtoken=262144, maxlat=128, crop=256, rescut=4.5, slice='CONT', subsmp='UNI', mintplt=1, maxtplt=4, seqid=150.0, maxcycle=4, n_extra_block=4, n_main_block=32, n_ref_block=4, n_finetune_block=0, d_msa=256, d_msa_full=64, d_pair=128, d_templ=64, n_head_msa=8, n_head_pair=4, n_head_templ=4, d_hidden=32, d_hidden_templ=64, p_drop=0.0, rbf_sigma=1.0, num_layers=1, num_channels=32, num_degrees=2, l0_in_features=64, l0_out_features=64, l1_in_features=3, l1_out_features=2, num_edge_features=64, n_heads=4, div=4, ref_num_layers=2, ref_num_channels=32, w_dist=1.0, w_str=10.0, w_lddt=0.1, w_aa=3.0, w_bond=0.0, w_dih=0.0, w_clash=0.0, w_hb=0.0, lj_lin=0.7)
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Launched from interactive
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Writing ./dataset.pkl ...
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...done
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Loaded (training) 7422 monomers/homomers, 1036080 distilled monomers, 1951 heteromers, 15678 negative heteromers, 1332 nucleic-acid complexes, 6815 negative nucleic-acid complexes, 5583 RNA structures, and 7470 small molecule complexes
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Loaded (valid) 17233 monomers, 7926 homomers, 1516 heteromers, 1549 negative heteromers, 97 nucleic-acid complexes, 228 negative nucleic-acid complexes, 642 RNA structures, and 451 small molecule complexes
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Using 17233 monomers, 7926 homomers, 1516 heteromers, 1549 negative heteromers 97 nucleic-acid complexes, 228 negative nucleic-acid complexes, 642 RNA structures, and 451 small molecule complexes
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Per epoch: 0 pdb, 0 fb, 0 compl, 0 neg, 0 NA compl, 0 NA neg, 0 RNA, 25600 SM Compl.
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# of parameters: 68276194
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no model found BFFligand
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