Task 38658909
| Name | test_1109-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND9056_0 |
| Workunit | 31602471 |
| Created | 24 Oct 2026, 13:07:42 UTC |
| Sent | 24 Oct 2026, 14:16:05 UTC |
| Report deadline | 29 Oct 2026, 14:16:05 UTC |
| Received | 24 Oct 2026, 14:30:40 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 632214 |
| Run time | 2 min 46 sec |
| CPU time | 26 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 596.34 MB |
| Peak swap size | 6.44 GB |
| Peak disk usage | 2.78 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
07:28:17 (20208): wrapper (7.9.26016): starting
07:28:17 (20208): 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
07:28:19 (20208): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:28:19 (20208): 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\7\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\7\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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 251, in _openmm_worker_makecontext
self.simulation = Simulation(self.topology, self.system, self.integrator, self.platform, self.platform_properties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error initializing CUDA: CUDA_ERROR_NO_DEVICE (100) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
07:29:01 (20208): C:/Windows/system32/cmd.exe exited; CPU time 26.328125
07:29:01 (20208): app exit status: 0x16
07:29:01 (20208): 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: 873309 bytes.
Dumping objects ->
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{3835187} normal block at 0x000001D425760BC0, 48 bytes long.
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{3835176} normal block at 0x000001D425761480, 48 bytes long.
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{3835165} normal block at 0x000001D4257615D0, 48 bytes long.
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{3835154} normal block at 0x000001D425760ED0, 48 bytes long.
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{3835123} normal block at 0x000001D425852F60, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835110} normal block at 0x000001D423B176A0, 8 bytes long.
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{3833951} normal block at 0x000001D423B17650, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001D423B219C0, 260 bytes long.
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{283} normal block at 0x000001D423B23770, 16 bytes long.
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{282} normal block at 0x000001D423B1C930, 32 bytes long.
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{281} normal block at 0x000001D423B22C80, 16 bytes long.
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{279} normal block at 0x000001D423B23310, 16 bytes long.
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{278} normal block at 0x000001D423B23900, 16 bytes long.
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{277} normal block at 0x000001D423B232C0, 16 bytes long.
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{276} normal block at 0x000001D423B22B90, 16 bytes long.
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{275} normal block at 0x000001D423B236D0, 16 bytes long.
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{274} normal block at 0x000001D423B1BDF0, 32 bytes long.
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{273} normal block at 0x000001D423B23040, 16 bytes long.
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{272} normal block at 0x000001D423B05E20, 320 bytes long.
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{269} normal block at 0x000001D423B1BD90, 32 bytes long.
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{268} normal block at 0x000001D423B22C30, 16 bytes long.
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{263} normal block at 0x000001D423B230E0, 16 bytes long.
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{262} normal block at 0x000001D423B22D70, 16 bytes long.
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{259} normal block at 0x000001D423B235E0, 16 bytes long.
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{258} normal block at 0x000001D423B1DD10, 40 bytes long.
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{257} normal block at 0x000001D423B238B0, 16 bytes long.
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{256} normal block at 0x000001D423B23220, 16 bytes long.
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{255} normal block at 0x000001D423B1C570, 32 bytes long.
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{254} normal block at 0x000001D423B23180, 16 bytes long.
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{253} normal block at 0x000001D423B24A20, 992 bytes long.
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{89} normal block at 0x000001D423B1C6F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001D423B17560, 16 bytes long.
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{87} normal block at 0x000001D423B1DF40, 40 bytes long.
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{66} normal block at 0x000001D423B17380, 16 bytes long.
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{65} normal block at 0x000001D423B17330, 16 bytes long.
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{64} normal block at 0x000001D423B171F0, 16 bytes long.
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{63} normal block at 0x000001D423B17A10, 16 bytes long.
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{62} normal block at 0x000001D423B17E70, 16 bytes long.
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{61} normal block at 0x000001D423B172E0, 16 bytes long.
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{60} normal block at 0x000001D423B17510, 16 bytes long.
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{59} normal block at 0x000001D423B17E20, 16 bytes long.
Data: < I ö > 10 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001D423B17150, 16 bytes long.
Data: <p I ö > 70 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D423B17100, 16 bytes long.
Data: < ÀG ö > 18 C0 47 01 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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