Task 5462290

Name	RF_SAVE_ALL_OUT_NOJRAN_IGNORE_THE_REST_validation_env_g_pred_224_16903_1_0
Workunit	4850333
Created	14 Jun 2024, 4:11:43 UTC
Sent	14 Jun 2024, 8:33:22 UTC
Report deadline	15 Jun 2024, 8:33:22 UTC
Received	14 Jun 2024, 11:02:18 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	12 (0x0000000C) Unknown error code
Computer ID	50047
Run time	56 min 30 sec
CPU time	34 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	3.65 GFLOPS
Application version	Generalized biomolecular modeling and design with RoseTTAFold All-Atom v0.02 (nvidia_alpha) windows_x86_64
Peak working set size	487.93 MB
Peak swap size	12,242.64 MB
Peak disk usage	2.12 MB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<message>
Code d - exit code 12 (0xc)</message>
<stderr_txt>
Traceback (most recent call last):
  File "E:\BOINC\DATA\projects\ralph.bakerlab.org\cv2\rf2aa\predict.py", line 708, in <module>
    pred.predict(out_name+f'_{n}', 
  File "E:\BOINC\DATA\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 "E:\BOINC\DATA\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "E:\BOINC\DATA\projects\ralph.bakerlab.org\cv2\rf2aa\RoseTTAFoldModel.py", line 358, in forward
    msa, pair, xyz, alpha_s, xyz_allatom, state, symmsub = self.simulator(
  File "E:\BOINC\DATA\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "E:\BOINC\DATA\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 "E:\BOINC\DATA\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "E:\BOINC\DATA\projects\ralph.bakerlab.org\cv2\rf2aa\Track_module.py", line 929, in forward
    xyz, state, alpha = self.str2str(
  File "E:\BOINC\DATA\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\nn\modules\module.py", line 1051, in _call_impl
    return forward_call(*input, **kwargs)
  File "E:\BOINC\DATA\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\cuda\amp\autocast_mode.py", line 141, in decorate_autocast
    return func(*args, **kwargs)
  File "E:\BOINC\DATA\projects\ralph.bakerlab.org\cv2\rf2aa\Track_module.py", line 476, in forward
    neighbor = get_seqsep_protein_sm(idx, bond_feats, dist_matrix, rotation_mask)
  File "E:\BOINC\DATA\projects\ralph.bakerlab.org\cv2\rf2aa\util_module.py", line 106, in get_seqsep_protein_sm
    res_dist, atom_dist = get_res_atom_dist(idx, bond_feats, dist_matrix, sm_mask)
  File "E:\BOINC\DATA\projects\ralph.bakerlab.org\cv2\rf2aa\util_module.py", line 140, in get_res_atom_dist
    i_s, j_s = torch.where(bond_feats==6)
RuntimeError: CUDA error: out of memory
CUDA kernel errors might be asynchronously reported at some other API call,so the stacktrace below might be incorrect.
For debugging consider passing CUDA_LAUNCH_BLOCKING=1.

</stderr_txt>
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