Task 38672449
| Name | test_31-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND6856_0 |
| Workunit | 31614589 |
| Created | 25 Oct 2026, 23:27:40 UTC |
| Sent | 25 Oct 2026, 23:27:48 UTC |
| Report deadline | 30 Oct 2026, 23:27:48 UTC |
| Received | 26 Oct 2026, 1:00:22 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 654625 |
| Run time | 2 min 16 sec |
| CPU time | 8 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 21,553.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 156.39 MB |
| Peak swap size | 6.65 GB |
| Peak disk usage | 1.57 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:57:57 (4532): wrapper (7.9.26016): starting
00:57:57 (4532): 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
00:57:58 (4532): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:57:58 (4532): 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 'D:\Applications\BOINC\slots\0\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 'D:\Applications\BOINC\slots\0\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 "D:\Applications\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\Applications\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\Applications\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\Applications\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\Applications\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "D:\Applications\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "D:\Applications\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "D:\Applications\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\Applications\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\Applications\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
00:58:39 (4532): C:/Windows/system32/cmd.exe exited; CPU time 8.000000
00:58:39 (4532): app exit status: 0x16
00:58:39 (4532): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 750415 bytes.
Dumping objects ->
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{3835548} normal block at 0x0000025EC33E71A0, 48 bytes long.
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{3835506} normal block at 0x0000025EC50D8810, 64 bytes long.
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{284} normal block at 0x0000025EC33E7710, 16 bytes long.
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{283} normal block at 0x0000025EC33E7D50, 16 bytes long.
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{282} normal block at 0x0000025EC33E7DF0, 16 bytes long.
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{281} normal block at 0x0000025EC33E7850, 16 bytes long.
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{280} normal block at 0x0000025EC33E1870, 32 bytes long.
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{263} normal block at 0x0000025EC33E8480, 16 bytes long.
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{262} normal block at 0x0000025EC33E7AD0, 16 bytes long.
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{261} normal block at 0x0000025EC33E1570, 32 bytes long.
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{260} normal block at 0x0000025EC33E8340, 16 bytes long.
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{95} normal block at 0x0000025EC33E1C30, 32 bytes long.
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{94} normal block at 0x0000025EC33DFCD0, 16 bytes long.
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{93} normal block at 0x0000025EC33D22C0, 40 bytes long.
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{70} normal block at 0x0000025EC33DFFA0, 16 bytes long.
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{69} normal block at 0x0000025EC33DF7D0, 16 bytes long.
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{68} normal block at 0x0000025EC33DF190, 16 bytes long.
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{67} normal block at 0x0000025EC33DF370, 16 bytes long.
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{66} normal block at 0x0000025EC33DFA00, 16 bytes long.
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{64} normal block at 0x0000025EC33DFE60, 16 bytes long.
Data: <p Ÿ?÷ > 70 04 9F 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025EC33DF8C0, 16 bytes long.
Data: < À ?÷ > 18 C0 9D 3F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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