Task 5460783

Name	RF_SAVE_ALL_OUT_NOJRAN_IGNORE_THE_REST_validation_env_g_pred_108_16903_3_0
Workunit	4849664
Created	13 Jun 2024, 22:52:38 UTC
Sent	14 Jun 2024, 1:53:36 UTC
Report deadline	15 Jun 2024, 1:53:36 UTC
Received	14 Jun 2024, 7:42:42 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	49620
Run time	5 hours 48 min 20 sec
CPU time	11 sec
Validate state	Valid
Credit	138.19
Device peak FLOPS	5.09 GFLOPS
Application version	Generalized biomolecular modeling and design with RoseTTAFold All-Atom v0.02 (nvidia_alpha) windows_x86_64
Peak working set size	1,970.07 MB
Peak swap size	6,406.32 MB
Peak disk usage	3.34 MB

Stderr output

<core_client_version>8.0.2</core_client_version>
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<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 358, in forward
    msa, pair, xyz, alpha_s, xyz_allatom, state, symmsub = self.simulator(
  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 1106, in forward
    msa, pair, xyz, state, alpha, symmsub = self.main_block[i_m](msa, 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\cv2\rf2aa\Track_module.py", line 927, in forward
    pair = self.pair2pair(pair, rbf_feat, state, 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\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 465, in forward
    attn = einsum('bnihk,bnjhk->bijh', query, key) 
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\opt_einsum\contract.py", line 507, in contract
    return _core_contract(operands, contraction_list, backend=backend, **einsum_kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\opt_einsum\contract.py", line 591, in _core_contract
    new_view = _einsum(einsum_str, *tmp_operands, backend=backend, **einsum_kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\opt_einsum\sharing.py", line 151, in cached_einsum
    return einsum(*args, **kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\opt_einsum\contract.py", line 353, in _einsum
    return fn(einsum_str, *operands, **kwargs)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\opt_einsum\backends\torch.py", line 45, in einsum
    return torch.einsum(equation, operands)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\functional.py", line 297, in einsum
    return einsum(equation, *_operands)
  File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\functional.py", line 299, in einsum
    return _VF.einsum(equation, operands)  # type: ignore[attr-defined]
RuntimeError: [enforce fail at ..\c10\core\CPUAllocator.cpp:79] data. DefaultCPUAllocator: not enough memory: you tried to allocate 52316928 bytes.
03:42:22 (10308): called boinc_finish(0)

</stderr_txt>
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