Task 38658985

Name test_1142-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND1399_0
Workunit 31602543
Created 24 Oct 2026, 13:12:08 UTC
Sent 24 Oct 2026, 14:23:30 UTC
Report deadline 29 Oct 2026, 14:23:30 UTC
Received 24 Oct 2026, 14:36:47 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 47 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 350.54 MB
Peak swap size 6.18 GB
Peak disk usage 3.58 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>
07:34:53 (43476): wrapper (7.9.26016): starting
07:34:53 (43476): 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
07:34:54 (43476): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:34:54 (43476): 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
07:35:37 (43476): C:/Windows/system32/cmd.exe exited; CPU time 26.203125
07:35:37 (43476): app exit status: 0x16
07:35:37 (43476): 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: 860299 bytes.
Dumping objects ->
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{3835187} normal block at 0x0000015DEF941480, 48 bytes long.
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{3835176} normal block at 0x0000015DEF940AE0, 48 bytes long.
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{3835165} normal block at 0x0000015DEF940BC0, 48 bytes long.
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{3835154} normal block at 0x0000015DEF941100, 48 bytes long.
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{3835123} normal block at 0x0000015DEF9EBE80, 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 0x0000015DEDD56410, 8 bytes long.
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{3833951} normal block at 0x0000015DEDD56550, 8 bytes long.
 Data: <0|&#164;&#239;]   > 30 7C A4 EF 5D 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000015DEDD60780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015DEDD45FA0, 80 bytes long.
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{291} normal block at 0x0000015DEDD622B0, 16 bytes long.
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{290} normal block at 0x0000015DEDD61AE0, 16 bytes long.
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{289} normal block at 0x0000015DEDD5BB50, 32 bytes long.
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{288} normal block at 0x0000015DEDD61A90, 16 bytes long.
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{286} normal block at 0x0000015DEDD62670, 16 bytes long.
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{285} normal block at 0x0000015DEDD61EA0, 16 bytes long.
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{284} normal block at 0x0000015DEDD5D1E0, 48 bytes long.
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{283} normal block at 0x0000015DEDD62620, 16 bytes long.
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{282} normal block at 0x0000015DEDD5B2B0, 32 bytes long.
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{281} normal block at 0x0000015DEDD62440, 16 bytes long.
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{279} normal block at 0x0000015DEDD625D0, 16 bytes long.
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{278} normal block at 0x0000015DEDD62260, 16 bytes long.
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{277} normal block at 0x0000015DEDD61BD0, 16 bytes long.
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{276} normal block at 0x0000015DEDD62210, 16 bytes long.
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{275} normal block at 0x0000015DEDD61B80, 16 bytes long.
 Data: <H^&#212;&#237;]           > 48 5E D4 ED 5D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015DEDD5B250, 32 bytes long.
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{273} normal block at 0x0000015DEDD61B30, 16 bytes long.
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{272} normal block at 0x0000015DEDD45E20, 320 bytes long.
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{271} normal block at 0x0000015DEDD621C0, 16 bytes long.
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{270} normal block at 0x0000015DEDD61A40, 16 bytes long.
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{269} normal block at 0x0000015DEDD5BD30, 32 bytes long.
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{268} normal block at 0x0000015DEDD62170, 16 bytes long.
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{266} normal block at 0x0000015DEDD619A0, 16 bytes long.
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{265} normal block at 0x0000015DEDD61950, 16 bytes long.
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{264} normal block at 0x0000015DEDD623F0, 16 bytes long.
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{263} normal block at 0x0000015DEDD619F0, 16 bytes long.
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{262} normal block at 0x0000015DEDD62120, 16 bytes long.
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{261} normal block at 0x0000015DEDD62580, 16 bytes long.
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{259} normal block at 0x0000015DEDD620D0, 16 bytes long.
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{258} normal block at 0x0000015DEDD5D090, 40 bytes long.
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{257} normal block at 0x0000015DEDD62080, 16 bytes long.
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{256} normal block at 0x0000015DEDD61900, 16 bytes long.
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{255} normal block at 0x0000015DEDD5BC10, 32 bytes long.
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{254} normal block at 0x0000015DEDD618B0, 16 bytes long.
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{253} normal block at 0x0000015DEDD63BE0, 992 bytes long.
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{89} normal block at 0x0000015DEDD5B130, 32 bytes long.
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{88} normal block at 0x0000015DEDD56820, 16 bytes long.
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{87} normal block at 0x0000015DEDD5D410, 40 bytes long.
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{66} normal block at 0x0000015DEDD563C0, 16 bytes long.
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{65} normal block at 0x0000015DEDD56140, 16 bytes long.
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{64} normal block at 0x0000015DEDD56CD0, 16 bytes long.
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{63} normal block at 0x0000015DEDD565F0, 16 bytes long.
 Data: <&#216;WI &#246;           > D8 57 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015DEDD56280, 16 bytes long.
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{61} normal block at 0x0000015DEDD56BE0, 16 bytes long.
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{60} normal block at 0x0000015DEDD569B0, 16 bytes long.
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{59} normal block at 0x0000015DEDD56EB0, 16 bytes long.
 Data: <  I &#246;           > 10 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015DEDD560F0, 16 bytes long.
 Data: <p I &#246;           > 70 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015DEDD567D0, 16 bytes long.
 Data: < &#192;G &#246;           > 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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