Task 5462568

Name	RF_SAVE_ALL_OUT_NOJRAN_IGNORE_THE_REST_validation_env_g_pred_106_16903_6_1
Workunit	4849737
Created	14 Jun 2024, 5:46:14 UTC
Sent	14 Jun 2024, 8:13:55 UTC
Report deadline	15 Jun 2024, 8:13:55 UTC
Received	19 Jun 2024, 18:25:15 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	49699
Run time
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	4.38 GFLOPS
Application version	Generalized biomolecular modeling and design with RoseTTAFold All-Atom v0.02 (nvidia_alpha) windows_x86_64

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
aborted by user</message>
<stderr_txt>
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\predict.py", line 708, in <module>
    pred.predict(out_name+f'_{n}', 
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\predict.py", line 551, in predict
    logit_s, logit_aa_s, logit_pae, logit_pde, p_bind, pred_crds, alpha, pred_allatom, pred_lddt_binned,                msa_prev, pair_prev, state_prev = self.model(
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\RoseTTAFoldModel.py", line 354, in forward
    pair, state = self.templ_emb(t1d, t2d, alpha_t, xyz_t, mask_t, pair, state, use_checkpoint=use_checkpoint, p2p_crop=p2p_crop)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\Embeddings.py", line 285, in forward
    templ = self.templ_stack(templ, rbf_feat, t1d, use_checkpoint=use_checkpoint, p2p_crop=p2p_crop) 
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\Embeddings.py", line 148, in forward
    templ = self.block[i_block](templ, rbf_feat, state)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\Track_module.py", line 367, in forward
    pair = pair + self.drop_row(self.row_attn(pair, rbf_feat)) 
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\Attention_module.py", line 461, in forward
    gate = torch.sigmoid(self.to_g(pair)) 
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\linear.py", line 96, in forward
    return F.linear(input, self.weight, self.bias)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\functional.py", line 1847, in linear
    return torch._C._nn.linear(input, weight, bias)
RuntimeError: CUDA out of memory. Tried to allocate 68.00 MiB (GPU 0; 12.00 GiB total capacity; 799.36 MiB already allocated; 0 bytes free; 868.00 MiB reserved in total by PyTorch)
11:47:34 (7820): Can't acquire lockfile (32) - waiting 35s
11:48:10 (7820): Can't acquire lockfile (32) - exiting
11:48:10 (7820): Error: Der Prozess kann nicht auf die Datei zugreifen, da sie von einem anderen Prozess verwendet wird.

 (0x20)

</stderr_txt>
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