Task 38660635

Name test_726-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND1953_1
Workunit 31604014
Created 24 Oct 2026, 14:29:46 UTC
Sent 24 Oct 2026, 14:34:16 UTC
Report deadline 29 Oct 2026, 14:34:16 UTC
Received 24 Oct 2026, 14:47:44 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 632214
Run time 3 min 31 sec
CPU time 53 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 481.54 MB
Peak swap size 6.32 GB
Peak disk usage 3.76 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>
07:44:39 (21812): wrapper (7.9.26016): starting
07:44:39 (21812): 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
07:44:41 (21812): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:44:41 (21812): 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
07:46:07 (21812): C:/Windows/system32/cmd.exe exited; CPU time 53.109375
07:46:07 (21812): app exit status: 0x16
07:46:07 (21812): 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: 1546693 bytes.
Dumping objects ->
{3835198} normal block at 0x00000206F81214F0, 48 bytes long.
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{3835187} normal block at 0x00000206F8121480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x00000206F8121330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835165} normal block at 0x00000206F81208B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000206F8120A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835123} normal block at 0x00000206F81CC580, 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 0x00000206F66C6DA0, 8 bytes long.
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{3833951} normal block at 0x00000206F66C6E40, 8 bytes long.
 Data: <PE &#248;    > 50 45 12 F8 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000206F66D0710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000206F66B5FA0, 80 bytes long.
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{291} normal block at 0x00000206F66D1980, 16 bytes long.
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{290} normal block at 0x00000206F66D2290, 16 bytes long.
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{289} normal block at 0x00000206F66CB3C0, 32 bytes long.
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{288} normal block at 0x00000206F66D1DE0, 16 bytes long.
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{287} normal block at 0x00000206F66D1A70, 16 bytes long.
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{286} normal block at 0x00000206F66D2510, 16 bytes long.
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{285} normal block at 0x00000206F66D1890, 16 bytes long.
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{284} normal block at 0x00000206F66CCFB0, 48 bytes long.
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{283} normal block at 0x00000206F66D1B10, 16 bytes long.
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{282} normal block at 0x00000206F66CBC60, 32 bytes long.
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{281} normal block at 0x00000206F66D2150, 16 bytes long.
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{279} normal block at 0x00000206F66D1CA0, 16 bytes long.
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{278} normal block at 0x00000206F66D1D40, 16 bytes long.
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{277} normal block at 0x00000206F66D2100, 16 bytes long.
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{276} normal block at 0x00000206F66D2240, 16 bytes long.
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{275} normal block at 0x00000206F66D1930, 16 bytes long.
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{274} normal block at 0x00000206F66CAE20, 32 bytes long.
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{273} normal block at 0x00000206F66D1840, 16 bytes long.
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{272} normal block at 0x00000206F66B5E20, 320 bytes long.
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{271} normal block at 0x00000206F66D19D0, 16 bytes long.
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{270} normal block at 0x00000206F66D20B0, 16 bytes long.
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{269} normal block at 0x00000206F66CB480, 32 bytes long.
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{268} normal block at 0x00000206F66D2060, 16 bytes long.
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{267} normal block at 0x00000206F66CB840, 32 bytes long.
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{266} normal block at 0x00000206F66D1ED0, 16 bytes long.
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{265} normal block at 0x00000206F66D17F0, 16 bytes long.
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{264} normal block at 0x00000206F66D26F0, 16 bytes long.
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{263} normal block at 0x00000206F66D2420, 16 bytes long.
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{262} normal block at 0x00000206F66D1D90, 16 bytes long.
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{261} normal block at 0x00000206F66D1F70, 16 bytes long.
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{259} normal block at 0x00000206F66D17A0, 16 bytes long.
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{258} normal block at 0x00000206F66CD020, 40 bytes long.
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{257} normal block at 0x00000206F66D1E30, 16 bytes long.
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{256} normal block at 0x00000206F66D1E80, 16 bytes long.
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{255} normal block at 0x00000206F66CB780, 32 bytes long.
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{254} normal block at 0x00000206F66D2470, 16 bytes long.
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{253} normal block at 0x00000206F66D3B70, 992 bytes long.
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{89} normal block at 0x00000206F66CB1E0, 32 bytes long.
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{88} normal block at 0x00000206F66C6670, 16 bytes long.
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{87} normal block at 0x00000206F66CD250, 40 bytes long.
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{66} normal block at 0x00000206F66C6D00, 16 bytes long.
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{65} normal block at 0x00000206F66C6620, 16 bytes long.
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{64} normal block at 0x00000206F66C6300, 16 bytes long.
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{63} normal block at 0x00000206F66C68F0, 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 0x00000206F66C64E0, 16 bytes long.
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{61} normal block at 0x00000206F66C6030, 16 bytes long.
 Data: <0 I &#246;           > 30 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000206F66C62B0, 16 bytes long.
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{59} normal block at 0x00000206F66C6F80, 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 0x00000206F66C68A0, 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 0x00000206F66C6260, 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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