Task 38665594

Name test_676-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND7182_0
Workunit 31608678
Created 25 Oct 2026, 1:15:48 UTC
Sent 25 Oct 2026, 1:35:19 UTC
Report deadline 30 Oct 2026, 1:35:19 UTC
Received 25 Oct 2026, 1:45:41 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 9 sec
CPU time 21 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 444.27 MB
Peak swap size 4.79 GB
Peak disk usage 2.80 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>
01:42:42 (21560): wrapper (7.9.26016): starting
01:42:42 (21560): 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
01:42:44 (21560): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:42:44 (21560): 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
01:43:45 (21560): C:/Windows/system32/cmd.exe exited; CPU time 21.703125
01:43:45 (21560): app exit status: 0x16
01:43:45 (21560): 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: 954667 bytes.
Dumping objects ->
{3835181} normal block at 0x000002322BA56E20, 48 bytes long.
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{3835170} normal block at 0x000002322BA56BF0, 48 bytes long.
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{3835159} normal block at 0x000002322BA56D40, 48 bytes long.
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{3835148} normal block at 0x000002322BA57670, 48 bytes long.
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{3835137} normal block at 0x000002322BA56B80, 48 bytes long.
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{3835106} normal block at 0x000002322D564630, 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 0x000002322BA27C80, 8 bytes long.
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{3833951} normal block at 0x000002322BA27AF0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002322BA322A0, 260 bytes long.
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{292} normal block at 0x000002322BA1D360, 80 bytes long.
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{291} normal block at 0x000002322BA33470, 16 bytes long.
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{290} normal block at 0x000002322BA333D0, 16 bytes long.
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{289} normal block at 0x000002322BA2D850, 32 bytes long.
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{287} normal block at 0x000002322BA33EC0, 16 bytes long.
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{286} normal block at 0x000002322BA33330, 16 bytes long.
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{285} normal block at 0x000002322BA33E70, 16 bytes long.
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{284} normal block at 0x000002322BA2C5E0, 48 bytes long.
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{283} normal block at 0x000002322BA33830, 16 bytes long.
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{282} normal block at 0x000002322BA2D6D0, 32 bytes long.
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{281} normal block at 0x000002322BA33DD0, 16 bytes long.
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{279} normal block at 0x000002322BA341E0, 16 bytes long.
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{278} normal block at 0x000002322BA34190, 16 bytes long.
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{277} normal block at 0x000002322BA34000, 16 bytes long.
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{276} normal block at 0x000002322BA33AB0, 16 bytes long.
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{275} normal block at 0x000002322BA33D80, 16 bytes long.
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{274} normal block at 0x000002322BA2D730, 32 bytes long.
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{273} normal block at 0x000002322BA33420, 16 bytes long.
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{272} normal block at 0x000002322BA33060, 320 bytes long.
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{271} normal block at 0x000002322BA33F60, 16 bytes long.
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{270} normal block at 0x000002322BA33D30, 16 bytes long.
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{269} normal block at 0x000002322BA2DF70, 32 bytes long.
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{268} normal block at 0x000002322BA34140, 16 bytes long.
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{267} normal block at 0x000002322BA2D7F0, 32 bytes long.
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{266} normal block at 0x000002322BA33C90, 16 bytes long.
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{265} normal block at 0x000002322BA33B00, 16 bytes long.
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{264} normal block at 0x000002322BA33920, 16 bytes long.
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{263} normal block at 0x000002322BA340F0, 16 bytes long.
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{261} normal block at 0x000002322BA33BF0, 16 bytes long.
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{259} normal block at 0x000002322BA335B0, 16 bytes long.
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{258} normal block at 0x000002322BA2C6C0, 40 bytes long.
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{257} normal block at 0x000002322BA33F10, 16 bytes long.
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{256} normal block at 0x000002322BA332E0, 16 bytes long.
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{255} normal block at 0x000002322BA2E3F0, 32 bytes long.
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{254} normal block at 0x000002322BA34050, 16 bytes long.
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{253} normal block at 0x000002322BA342A0, 992 bytes long.
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{89} normal block at 0x000002322BA2E570, 32 bytes long.
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{88} normal block at 0x000002322BA282C0, 16 bytes long.
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{87} normal block at 0x000002322BA2C570, 40 bytes long.
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{66} normal block at 0x000002322BA27E60, 16 bytes long.
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{65} normal block at 0x000002322BA27690, 16 bytes long.
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{64} normal block at 0x000002322BA279B0, 16 bytes long.
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{63} normal block at 0x000002322BA275F0, 16 bytes long.
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{62} normal block at 0x000002322BA28090, 16 bytes long.
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{61} normal block at 0x000002322BA27DC0, 16 bytes long.
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{60} normal block at 0x000002322BA27730, 16 bytes long.
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{59} normal block at 0x000002322BA28220, 16 bytes long.
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{58} normal block at 0x000002322BA28360, 16 bytes long.
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{57} normal block at 0x000002322BA278C0, 16 bytes long.
 Data: < &#192;dx&#246;           > 18 C0 64 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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