Task 38666952

Name test_345-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND9543_0
Workunit 31609674
Created 25 Oct 2026, 5:37:43 UTC
Sent 25 Oct 2026, 5:38:21 UTC
Report deadline 30 Oct 2026, 5:38:21 UTC
Received 25 Oct 2026, 5:43:31 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652570
Run time 3 min 33 sec
CPU time 52 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,454.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 403.81 MB
Peak swap size 4.74 GB
Peak disk usage 3.02 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>
05:40:35 (8448): wrapper (7.9.26016): starting
05:40:35 (8448): 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
05:40:37 (8448): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:40:37 (8448): 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 'E:\ProgramData\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 'E:\ProgramData\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 "E:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\0\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 "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "E:\ProgramData\BOINC\slots\0\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 "E:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
    self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
                   ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\0\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_INVALID_VALUE (1) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
05:42:16 (8448): C:/Windows/system32/cmd.exe exited; CPU time 52.046875
05:42:16 (8448): app exit status: 0x16
05:42:16 (8448): 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: 1438071 bytes.
Dumping objects ->
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{3835159} normal block at 0x0000022D497983D0, 48 bytes long.
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{3835148} normal block at 0x0000022D49797C60, 48 bytes long.
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{3835137} normal block at 0x0000022D497982F0, 48 bytes long.
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{3835106} normal block at 0x0000022D4B22E4F0, 64 bytes long.
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..\api\boinc_api.cpp(309) : {3835093} normal block at 0x0000022D49767510, 8 bytes long.
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{3833951} normal block at 0x0000022D49767420, 8 bytes long.
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{286} normal block at 0x0000022D49774680, 16 bytes long.
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{285} normal block at 0x0000022D49775080, 16 bytes long.
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{284} normal block at 0x0000022D4976BAA0, 48 bytes long.
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{283} normal block at 0x0000022D49775030, 16 bytes long.
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{282} normal block at 0x0000022D4976D3D0, 32 bytes long.
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{281} normal block at 0x0000022D49774630, 16 bytes long.
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{279} normal block at 0x0000022D49774E50, 16 bytes long.
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{278} normal block at 0x0000022D49774D10, 16 bytes long.
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{277} normal block at 0x0000022D49774F90, 16 bytes long.
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{276} normal block at 0x0000022D49774950, 16 bytes long.
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{275} normal block at 0x0000022D49775170, 16 bytes long.
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{274} normal block at 0x0000022D4976D850, 32 bytes long.
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{273} normal block at 0x0000022D497747C0, 16 bytes long.
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{272} normal block at 0x0000022D49755BE0, 320 bytes long.
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{271} normal block at 0x0000022D497744A0, 16 bytes long.
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{270} normal block at 0x0000022D49774AE0, 16 bytes long.
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{269} normal block at 0x0000022D4976D1F0, 32 bytes long.
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{268} normal block at 0x0000022D49774B30, 16 bytes long.
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{267} normal block at 0x0000022D4976D310, 32 bytes long.
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{266} normal block at 0x0000022D49775350, 16 bytes long.
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{265} normal block at 0x0000022D49774540, 16 bytes long.
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{264} normal block at 0x0000022D49775300, 16 bytes long.
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{263} normal block at 0x0000022D49774A90, 16 bytes long.
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{262} normal block at 0x0000022D49774C20, 16 bytes long.
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{261} normal block at 0x0000022D49774E00, 16 bytes long.
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{259} normal block at 0x0000022D49775120, 16 bytes long.
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{258} normal block at 0x0000022D4976BB80, 40 bytes long.
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{257} normal block at 0x0000022D497749A0, 16 bytes long.
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{256} normal block at 0x0000022D49774590, 16 bytes long.
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{255} normal block at 0x0000022D4976D130, 32 bytes long.
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{254} normal block at 0x0000022D49774F40, 16 bytes long.
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{253} normal block at 0x0000022D49775460, 992 bytes long.
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{89} normal block at 0x0000022D4976D2B0, 32 bytes long.
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{88} normal block at 0x0000022D497672E0, 16 bytes long.
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{66} normal block at 0x0000022D49766E30, 16 bytes long.
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{65} normal block at 0x0000022D49767470, 16 bytes long.
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{64} normal block at 0x0000022D49766D90, 16 bytes long.
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{63} normal block at 0x0000022D497671F0, 16 bytes long.
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{62} normal block at 0x0000022D49766D40, 16 bytes long.
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{61} normal block at 0x0000022D497675B0, 16 bytes long.
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{60} normal block at 0x0000022D49767650, 16 bytes long.
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{59} normal block at 0x0000022D49766FC0, 16 bytes long.
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{58} normal block at 0x0000022D49766BB0, 16 bytes long.
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{57} normal block at 0x0000022D49766CF0, 16 bytes long.
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Object dump complete.

</stderr_txt>
]]>


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