Task 38662865

Name test_891-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8529_0
Workunit 31606097
Created 24 Oct 2026, 21:06:18 UTC
Sent 24 Oct 2026, 21:06:28 UTC
Report deadline 29 Oct 2026, 21:06:28 UTC
Received 25 Oct 2026, 1:04:41 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 654383
Run time 1 hours 35 min 22 sec
CPU time 50 min 52 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,147.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.72 MB
Peak swap size 5.31 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
O sistema operacional n�o pode executar <sporadic_ac>.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:09:22 (32144): wrapper (7.9.26016): starting
17:09:33 (32144): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
17:10:38 (32144): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:10:50 (32144): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\12\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\12\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
19:08:36 (2904): wrapper (7.9.26016): starting
19:08:36 (2904): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
J&#160; existe uma subpasta ou um arquivo C:\ProgramData\BOINC\slots\12\tmp.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {2309} normal block at 0x00000206FBEE68F0, 8 bytes long.
 Data: <  6     > 00 00 36 FC 06 02 00 00 
..\lib\diagnostics_win.cpp(417) : {315} normal block at 0x00000206FBEE7870, 1080 bytes long.
 Data: < K      L       > B0 4B 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
20:57:47 (21084): wrapper (7.9.26016): starting
20:57:47 (21084): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
J&#160; existe uma subpasta ou um arquivo C:\ProgramData\BOINC\slots\12\tmp.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
    replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
    return XmlSerializer._deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\openmm.py", line 19590, in _deserializeState
    return _openmm.XmlSerializer__deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "C:\ProgramData\BOINC\slots\12\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
    stateid = self.status[repl]['stateid_current']
              ^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
    return object.__getattribute__(self,name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
21:02:32 (21084): C:/Windows/system32/cmd.exe exited; CPU time 38.828125
21:02:32 (21084): app exit status: 0x16
21:02:32 (21084): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 929515 bytes.
Dumping objects ->
{2399} normal block at 0x0000019FD29DFE70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{2388} normal block at 0x0000019FD29DFBD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{2377} normal block at 0x0000019FD29DFA80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{2366} normal block at 0x0000019FD29E0180, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{2355} normal block at 0x0000019FD29DFE00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{2324} normal block at 0x0000019FD29CEE20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{2313} normal block at 0x0000019FD29E81F0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {2309} normal block at 0x0000019FD29E7010, 8 bytes long.
 Data: <        > 00 00 E6 D2 9F 01 00 00 
{1277} normal block at 0x0000019FD29DE940, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{316} normal block at 0x0000019FD29E6570, 8 bytes long.
 Data: <P[      > 50 5B 9E D2 9F 01 00 00 
{307} normal block at 0x0000019FD29DCB70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{306} normal block at 0x0000019FD29E70B0, 16 bytes long.
 Data: < t              > 98 74 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000019FD29E6C00, 16 bytes long.
 Data: <pt              > 70 74 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000019FD29E0770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{303} normal block at 0x0000019FD29E6BB0, 16 bytes long.
 Data: <Ht              > 48 74 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000019FD29E6D40, 16 bytes long.
 Data: < t              > 20 74 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000019FD29E6B60, 16 bytes long.
 Data: < s              > F8 73 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000019FD29E6840, 16 bytes long.
 Data: < s              > D0 73 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000019FD29DFD20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{298} normal block at 0x0000019FD29E6250, 16 bytes long.
 Data: <x               > 78 84 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019FD29E05F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{296} normal block at 0x0000019FD29E6AC0, 16 bytes long.
 Data: <P               > 50 84 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019FD29E6B10, 16 bytes long.
 Data: <(               > 28 84 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019FD29E6660, 16 bytes long.
 Data: <                > 00 84 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019FD29E6610, 16 bytes long.
 Data: <                > D8 83 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019FD29E6750, 16 bytes long.
 Data: <                > B0 83 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019FD29E68E0, 16 bytes long.
 Data: <                > 88 83 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019FD29E02F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{288} normal block at 0x0000019FD29E6CA0, 16 bytes long.
 Data: <`               > 60 83 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019FD29D8360, 320 bytes long.
 Data: < l              > A0 6C 9E D2 9F 01 00 00 F0 02 9E D2 9F 01 00 00 
{286} normal block at 0x0000019FD29E6FC0, 16 bytes long.
 Data: < s              > B0 73 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019FD29E6C50, 16 bytes long.
 Data: < s              > 88 73 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019FD29E0B30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{283} normal block at 0x0000019FD29E65C0, 16 bytes long.
 Data: <`s              > 60 73 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019FD29E09B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{281} normal block at 0x0000019FD29E64D0, 16 bytes long.
 Data: < r              > A8 72 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019FD29E6520, 16 bytes long.
 Data: < r              > 80 72 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019FD29E62A0, 16 bytes long.
 Data: <Xr              > 58 72 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019FD29E6ED0, 16 bytes long.
 Data: <0r              > 30 72 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019FD29E62F0, 16 bytes long.
 Data: < r              > 08 72 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019FD29E6A70, 16 bytes long.
 Data: < q              > E0 71 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019FD29E69D0, 16 bytes long.
 Data: <`               > 60 FB 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019FD29DFB60, 40 bytes long.
 Data: < i              > D0 69 9E D2 9F 01 00 00 20 EE 9C D2 9F 01 00 00 
{272} normal block at 0x0000019FD29E67F0, 16 bytes long.
 Data: < q              > C0 71 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019FD29E6930, 16 bytes long.
 Data: < q              > 98 71 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019FD29E0290, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{269} normal block at 0x0000019FD29E6890, 16 bytes long.
 Data: <pq              > 70 71 9E D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019FD29E7170, 992 bytes long.
 Data: < h              > 90 68 9E D2 9F 01 00 00 90 02 9E D2 9F 01 00 00 
{104} normal block at 0x0000019FD29E1190, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{103} normal block at 0x0000019FD29DF830, 16 bytes long.
 Data: <@               > 40 FC 9D D2 9F 01 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x0000019FD29DFC40, 40 bytes long.
 Data: <0               > 30 F8 9D D2 9F 01 00 00 90 11 9E D2 9F 01 00 00 
{81} normal block at 0x0000019FD29DEBB0, 16 bytes long.
 Data: <  %"            > 80 EA 25 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000019FD29DF330, 16 bytes long.
 Data: <@ %"            > 40 E9 25 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000019FD29DF2E0, 16 bytes long.
 Data: < W""            > F8 57 22 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000019FD29DF290, 16 bytes long.
 Data: < W""            > D8 57 22 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000019FD29DECF0, 16 bytes long.
 Data: <P ""            > 50 04 22 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000019FD29DF0B0, 16 bytes long.
 Data: <0 ""            > 30 04 22 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000019FD29DF1F0, 16 bytes long.
 Data: <  ""            > E0 02 22 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000019FD29DF9C0, 16 bytes long.
 Data: <  ""            > 10 04 22 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000019FD29DF150, 16 bytes long.
 Data: <p ""            > 70 04 22 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000019FD29DF970, 16 bytes long.
 Data: <   "            > 18 C0 20 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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