Task 38665338
| Name | test_587-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2405_0 |
| Workunit | 31608442 |
| Created | 25 Oct 2026, 1:02:41 UTC |
| Sent | 25 Oct 2026, 1:04:42 UTC |
| Report deadline | 30 Oct 2026, 1:04:42 UTC |
| Received | 25 Oct 2026, 1:13:19 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 654383 |
| Run time | 5 min 28 sec |
| CPU time | 2 min 5 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 | 586.11 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 2.80 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
O sistema operacional n�o pode executar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
21:07:44 (39260): wrapper (7.9.26016): starting
21:07:44 (39260): 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
21:07:49 (39260): Library/usr/bin/tar.exe exited; CPU time 0.062500
21:07:50 (39260): 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.
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 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\async_re.py", line 333, in scheduleJobs
self._sync_checkpointing(checkpoint_frequency, current_samples, new_samples)
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\async_re.py", line 369, in _sync_checkpointing
self.openmm_replicas[i].save_checkpoint()
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommreplica.py", line 90, in save_checkpoint
self.worker.simulation.saveState(ckptfile)
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\app\simulation.py", line 342, in saveState
xml = mm.XmlSerializer.serialize(state)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\openmm.py", line 19607, in serialize
return XmlSerializer._serializeState(object)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\openmm.py", line 19585, in _serializeState
return _openmm.XmlSerializer__serializeState(object)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
21:11:33 (39260): C:/Windows/system32/cmd.exe exited; CPU time 125.265625
21:11:33 (39260): app exit status: 0x16
21:11:33 (39260): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 4795029 bytes.
Dumping objects ->
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Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
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Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
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Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
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Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
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Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835977} normal block at 0x00000295A82BE9B0, 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) : {3835974} normal block at 0x00000295A825E340, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {322} normal block at 0x00000295A8262780, 260 bytes long.
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{300} normal block at 0x00000295A82674F0, 16 bytes long.
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{298} normal block at 0x00000295A8267680, 16 bytes long.
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{297} normal block at 0x00000295A82616B0, 32 bytes long.
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{296} normal block at 0x00000295A82674A0, 16 bytes long.
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{293} normal block at 0x00000295A8266FF0, 16 bytes long.
Data: <° %¨• > B0 9D 25 A8 95 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000295A8266E10, 16 bytes long.
Data: < %¨• > 88 9D 25 A8 95 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000295A82670E0, 16 bytes long.
Data: <` %¨• > 60 9D 25 A8 95 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000295A8266910, 16 bytes long.
Data: <8 %¨• > 38 9D 25 A8 95 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000295A8260C90, 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 0x00000295A8267540, 16 bytes long.
Data: < %¨• > 10 9D 25 A8 95 02 00 00 00 00 00 00 00 00 00 00
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Data: < y&¨• > 08 79 26 A8 95 02 00 00 00 00 00 00 00 00 00 00
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{283} normal block at 0x00000295A8266870, 16 bytes long.
Data: <àx&¨• > E0 78 26 A8 95 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000295A8261290, 32 bytes long.
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{281} normal block at 0x00000295A8266F50, 16 bytes long.
Data: <(x&¨• > 28 78 26 A8 95 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000295A8266F00, 16 bytes long.
Data: < x&¨• > 00 78 26 A8 95 02 00 00 00 00 00 00 00 00 00 00
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{278} normal block at 0x00000295A8267400, 16 bytes long.
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{276} normal block at 0x00000295A8266DC0, 16 bytes long.
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{270} normal block at 0x00000295A82619B0, 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 0x00000295A8266960, 16 bytes long.
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{268} normal block at 0x00000295A82676F0, 992 bytes long.
Data: <`i&¨• ° &¨• > 60 69 26 A8 95 02 00 00 B0 19 26 A8 95 02 00 00
{104} normal block at 0x00000295A8260FF0, 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 0x00000295A825E200, 16 bytes long.
Data: < &¨• > 80 08 26 A8 95 02 00 00 00 00 00 00 00 00 00 00
{102} normal block at 0x00000295A8260880, 40 bytes long.
Data: < â%¨• ð &¨• > 00 E2 25 A8 95 02 00 00 F0 0F 26 A8 95 02 00 00
{81} normal block at 0x00000295A825E6B0, 16 bytes long.
Data: < ê  ÷ > 80 EA 0C A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000295A825E660, 16 bytes long.
Data: <@é  ÷ > 40 E9 0C A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000295A825E3E0, 16 bytes long.
Data: <øW  ÷ > F8 57 09 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000295A825E110, 16 bytes long.
Data: <ØW  ÷ > D8 57 09 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000295A825EA20, 16 bytes long.
Data: <P  ÷ > 50 04 09 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000295A825EED0, 16 bytes long.
Data: <0  ÷ > 30 04 09 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000295A825E2A0, 16 bytes long.
Data: <à  ÷ > E0 02 09 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000295A825E160, 16 bytes long.
Data: <  ÷ > 10 04 09 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000295A825E250, 16 bytes long.
Data: <p  ÷ > 70 04 09 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000295A825E930, 16 bytes long.
Data: < À  ÷ > 18 C0 07 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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