Task 5458705

Name	RF_SAVE_ALL_OUT_NOJRAN_IGNORE_THE_REST_validation_env_f_pred_203_16902_1_1
Workunit	4847806
Created	13 Jun 2024, 5:07:38 UTC
Sent	13 Jun 2024, 7:50:59 UTC
Report deadline	14 Jun 2024, 7:50:59 UTC
Received	26 Jun 2024, 14:12:09 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	0 (0x00000000)
Computer ID	49986
Run time	7 hours 30 min 43 sec
CPU time	4 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	4.79 GFLOPS
Application version	Generalized biomolecular modeling and design with RoseTTAFold All-Atom v0.02 (nvidia_alpha) windows_x86_64
Peak working set size	1,594.62 MB
Peak swap size	6,242.14 MB
Peak disk usage	5.34 MB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<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 469, in forward
    out = einsum('bijh,bnjhd->bnihd', attn, value).reshape(B, L, L, -1)
  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 53526528 bytes.
16:10:38 (19792): called boinc_finish(0)

</stderr_txt>
<message>
upload failure: <file_xfer_error>
  <file_name>RF_SAVE_ALL_OUT_NOJRAN_IGNORE_THE_REST_validation_env_f_pred_203_16902_1_1_r2086752563_0</file_name>
  <error_code>-240 (stat() failed)</error_code>
</file_xfer_error>
</message>
]]>