Task 38660880

Name test_1182-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND1416_1
Workunit 31602603
Created 24 Oct 2026, 14:52:30 UTC
Sent 24 Oct 2026, 17:25:01 UTC
Report deadline 29 Oct 2026, 17:25:01 UTC
Received 24 Oct 2026, 17:38:17 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652570
Run time 2 min 19 sec
CPU time 9 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 359.14 MB
Peak swap size 4.70 GB
Peak disk usage 1.42 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>
18:35:29 (21840): wrapper (7.9.26016): starting
18:35:29 (21840): 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
18:35:31 (21840): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:35:31 (21840): 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
18:36:12 (21840): C:/Windows/system32/cmd.exe exited; CPU time 9.531250
18:36:12 (21840): app exit status: 0x16
18:36:12 (21840): 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: 660761 bytes.
Dumping objects ->
{3835181} normal block at 0x000002068D9F6350, 48 bytes long.
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{3835170} normal block at 0x000002068D9F5E10, 48 bytes long.
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{3835159} normal block at 0x000002068D9F5DA0, 48 bytes long.
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{3835148} normal block at 0x000002068D9F5FD0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000002068D9F6430, 48 bytes long.
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{3835106} normal block at 0x000002068F52BFE0, 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 0x000002068D9C6D70, 8 bytes long.
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{3833951} normal block at 0x000002068D9C6A50, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002068D9D12F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002068D9CC660, 80 bytes long.
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{291} normal block at 0x000002068D9D2830, 16 bytes long.
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{290} normal block at 0x000002068D9D2AB0, 16 bytes long.
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{289} normal block at 0x000002068D9CD280, 32 bytes long.
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{288} normal block at 0x000002068D9D2A60, 16 bytes long.
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{287} normal block at 0x000002068D9D23D0, 16 bytes long.
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{286} normal block at 0x000002068D9D2BA0, 16 bytes long.
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{285} normal block at 0x000002068D9D2100, 16 bytes long.
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{284} normal block at 0x000002068D9CB5B0, 48 bytes long.
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{283} normal block at 0x000002068D9D2B00, 16 bytes long.
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{282} normal block at 0x000002068D9CCCE0, 32 bytes long.
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{281} normal block at 0x000002068D9D2FB0, 16 bytes long.
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{279} normal block at 0x000002068D9D2740, 16 bytes long.
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{278} normal block at 0x000002068D9D2F60, 16 bytes long.
 Data: < &#197;&#156;             > 80 C5 9C 8D 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002068D9D27E0, 16 bytes long.
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{276} normal block at 0x000002068D9D2A10, 16 bytes long.
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{275} normal block at 0x000002068D9D2B50, 16 bytes long.
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{274} normal block at 0x000002068D9CC980, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002068D9D21F0, 16 bytes long.
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{272} normal block at 0x000002068D9CC4E0, 320 bytes long.
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{271} normal block at 0x000002068D9D22E0, 16 bytes long.
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{270} normal block at 0x000002068D9D2E70, 16 bytes long.
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{269} normal block at 0x000002068D9CCEC0, 32 bytes long.
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{268} normal block at 0x000002068D9D2290, 16 bytes long.
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{267} normal block at 0x000002068D9CCD40, 32 bytes long.
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{266} normal block at 0x000002068D9D29C0, 16 bytes long.
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{265} normal block at 0x000002068D9D2150, 16 bytes long.
 Data: <&#208;5              > D0 35 9D 8D 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002068D9D2DD0, 16 bytes long.
 Data: <&#168;5              > A8 35 9D 8D 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002068D9D2470, 16 bytes long.
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{262} normal block at 0x000002068D9D3000, 16 bytes long.
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{261} normal block at 0x000002068D9D2920, 16 bytes long.
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{259} normal block at 0x000002068D9D26F0, 16 bytes long.
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{258} normal block at 0x000002068D9CB4D0, 40 bytes long.
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{257} normal block at 0x000002068D9D2560, 16 bytes long.
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{256} normal block at 0x000002068D9D2EC0, 16 bytes long.
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{255} normal block at 0x000002068D9CD100, 32 bytes long.
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{254} normal block at 0x000002068D9D2790, 16 bytes long.
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{253} normal block at 0x000002068D9D34C0, 992 bytes long.
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{89} normal block at 0x000002068D9CD3A0, 32 bytes long.
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{88} normal block at 0x000002068D9C7450, 16 bytes long.
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{87} normal block at 0x000002068D9CB700, 40 bytes long.
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{66} normal block at 0x000002068D9C7130, 16 bytes long.
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{65} normal block at 0x000002068D9C6910, 16 bytes long.
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{64} normal block at 0x000002068D9C7220, 16 bytes long.
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{63} normal block at 0x000002068D9C67D0, 16 bytes long.
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{62} normal block at 0x000002068D9C74F0, 16 bytes long.
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{61} normal block at 0x000002068D9C70E0, 16 bytes long.
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{60} normal block at 0x000002068D9C6A00, 16 bytes long.
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{59} normal block at 0x000002068D9C6B90, 16 bytes long.
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{58} normal block at 0x000002068D9C7400, 16 bytes long.
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{57} normal block at 0x000002068D9C65A0, 16 bytes long.
 Data: < &#192;g]&#247;           > 18 C0 67 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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