Task 5465037

Name	RF_SAVE_ALL_OUT_NOJRAN_IGNORE_THE_REST_validation_env_g_pred_143_16903_4_1
Workunit	4849849
Created	15 Jun 2024, 3:04:45 UTC
Sent	15 Jun 2024, 3:07:06 UTC
Report deadline	16 Jun 2024, 3:07:06 UTC
Received	15 Jun 2024, 3:29:57 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	45917
Run time	20 min 48 sec
CPU time
Validate state	Valid
Credit	11.82
Device peak FLOPS	4.09 GFLOPS
Application version	Generalized biomolecular modeling and design with RoseTTAFold All-Atom v0.02 (nvidia_alpha) windows_x86_64
Peak working set size	2,982.72 MB
Peak swap size	8,474.27 MB
Peak disk usage	2.37 MB

Stderr output

<core_client_version>8.0.2</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 1135, in forward dljdxyz, dljdalpha = calc_lj_grads( File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\ev0\lib\site-packages\torch\autograd\grad_mode.py", line 28, in decorate_context return func(*args, **kwargs) File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\loss.py", line 1316, in calc_lj_grads Elj = calc_lj( File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\loss.py", line 1143, in calc_lj ljval = lj( File "C:\ProgramData\BOINC\projects\ralph.bakerlab.org\cv2\rf2aa\loss.py", line 1035, in forward seqi,seqj = seq[rii[ridx]], seq[rjj[ridx]] RuntimeError: CUDA out of memory. Tried to allocate 58.00 MiB (GPU 0; 2.00 GiB total capacity; 1.44 GiB already allocated; 0 bytes free; 1.72 GiB reserved in total by PyTorch) 05:28:10 (4648): called boinc_finish(0) </stderr_txt> ]]>