Task 38667102

Name test_544-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND2259_0
Workunit 31609784
Created 25 Oct 2026, 6:20:35 UTC
Sent 25 Oct 2026, 6:20:39 UTC
Report deadline 30 Oct 2026, 6:20:39 UTC
Received 25 Oct 2026, 6:32:48 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 51 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 470.63 MB
Peak swap size 4.80 GB
Peak disk usage 1.47 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>
06:29:53 (6200): wrapper (7.9.26016): starting
06:29:53 (6200): 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
06:29:55 (6200): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:29:55 (6200): 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
06:31:34 (6200): C:/Windows/system32/cmd.exe exited; CPU time 51.937500
06:31:34 (6200): app exit status: 0x16
06:31:34 (6200): 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: 1322353 bytes.
Dumping objects ->
{3835181} normal block at 0x0000019532167FC0, 48 bytes long.
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{3835170} normal block at 0x0000019532168180, 48 bytes long.
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{3835159} normal block at 0x0000019532167A80, 48 bytes long.
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{3835148} normal block at 0x0000019532167930, 48 bytes long.
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{3835137} normal block at 0x0000019532168110, 48 bytes long.
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{3835106} normal block at 0x0000019533CFE290, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835093} normal block at 0x0000019532137450, 8 bytes long.
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{3833951} normal block at 0x0000019532136AF0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000019532143360, 260 bytes long.
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{292} normal block at 0x000001953213C660, 80 bytes long.
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{291} normal block at 0x0000019532144A30, 16 bytes long.
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{288} normal block at 0x0000019532144170, 16 bytes long.
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{286} normal block at 0x0000019532144990, 16 bytes long.
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{285} normal block at 0x0000019532144620, 16 bytes long.
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{284} normal block at 0x000001953213B310, 48 bytes long.
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{283} normal block at 0x0000019532144FD0, 16 bytes long.
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{282} normal block at 0x000001953213D100, 32 bytes long.
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{281} normal block at 0x0000019532144F80, 16 bytes long.
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{279} normal block at 0x0000019532144580, 16 bytes long.
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{278} normal block at 0x0000019532144F30, 16 bytes long.
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{277} normal block at 0x0000019532144D50, 16 bytes long.
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{276} normal block at 0x00000195321448F0, 16 bytes long.
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{275} normal block at 0x0000019532144C60, 16 bytes long.
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{274} normal block at 0x000001953213CF20, 32 bytes long.
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{273} normal block at 0x0000019532144530, 16 bytes long.
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{272} normal block at 0x000001953213C4E0, 320 bytes long.
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{271} normal block at 0x0000019532144760, 16 bytes long.
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{270} normal block at 0x00000195321444E0, 16 bytes long.
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{269} normal block at 0x000001953213CE60, 32 bytes long.
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{268} normal block at 0x00000195321446C0, 16 bytes long.
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{267} normal block at 0x000001953213CDA0, 32 bytes long.
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{266} normal block at 0x00000195321450C0, 16 bytes long.
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{265} normal block at 0x0000019532144EE0, 16 bytes long.
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{264} normal block at 0x0000019532144850, 16 bytes long.
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{263} normal block at 0x0000019532144490, 16 bytes long.
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{262} normal block at 0x0000019532144AD0, 16 bytes long.
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{257} normal block at 0x0000019532144940, 16 bytes long.
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{256} normal block at 0x00000195321448A0, 16 bytes long.
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{255} normal block at 0x000001953213CC80, 32 bytes long.
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{254} normal block at 0x00000195321443F0, 16 bytes long.
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{253} normal block at 0x0000019532145130, 992 bytes long.
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{89} normal block at 0x000001953213CB60, 32 bytes long.
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{88} normal block at 0x0000019532136AA0, 16 bytes long.
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{87} normal block at 0x000001953213B2A0, 40 bytes long.
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{66} normal block at 0x0000019532136A00, 16 bytes long.
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{65} normal block at 0x00000195321369B0, 16 bytes long.
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{64} normal block at 0x00000195321373B0, 16 bytes long.
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{63} normal block at 0x0000019532137360, 16 bytes long.
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{62} normal block at 0x00000195321366E0, 16 bytes long.
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{61} normal block at 0x00000195321365F0, 16 bytes long.
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{60} normal block at 0x0000019532136B40, 16 bytes long.
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{59} normal block at 0x0000019532136C30, 16 bytes long.
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{58} normal block at 0x00000195321374F0, 16 bytes long.
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{57} normal block at 0x0000019532136960, 16 bytes long.
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Object dump complete.

</stderr_txt>
]]>


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