Task 38614795

Name hif2a_2_A28_A04_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND6755_0
Workunit 31567154
Created 17 Apr 2026, 13:44:19 UTC
Sent 17 Apr 2026, 13:55:52 UTC
Report deadline 22 Apr 2026, 13:55:52 UTC
Received 17 Apr 2026, 14:00:18 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652091
Run time 2 min 59 sec
CPU time 13 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,457.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 194.73 MB
Peak swap size 4.52 GB
Peak disk usage 1.52 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:58:11 (1592): wrapper (7.9.26016): starting
14:58:11 (1592): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A04_0.pdb
QB_A28_A04_0.xml
QB_A28_A04.inpcrd
QB_A28_A04_input.yaml
QB_A28_A04.pdb
QB_A28_A04.prmtop
QB_A28_A04_sys.xml
run.bat
run.sh
14:58:12 (1592): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:58:12 (1592): 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\2\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\2\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\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\2\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\2\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\2\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\2\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\2\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
14:58:57 (1592): C:/Windows/system32/cmd.exe exited; CPU time 13.593750
14:58:57 (1592): app exit status: 0x16
14:58:57 (1592): 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: 816017 bytes.
Dumping objects ->
{3835183} normal block at 0x000002B63C3B6470, 48 bytes long.
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{3835172} normal block at 0x000002B63C3B5D70, 48 bytes long.
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{3835161} normal block at 0x000002B63C3B5DE0, 48 bytes long.
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{3835150} normal block at 0x000002B63C3B6550, 48 bytes long.
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{3835139} normal block at 0x000002B63C3B6A20, 48 bytes long.
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{3835108} normal block at 0x000002B63DECBCC0, 64 bytes long.
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..\api\boinc_api.cpp(309) : {3835095} normal block at 0x000002B63C387000, 8 bytes long.
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{3833953} normal block at 0x000002B63C3867E0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002B63C391500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B63C375CE0, 80 bytes long.
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{292} normal block at 0x000002B63C392630, 16 bytes long.
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{289} normal block at 0x000002B63C3924A0, 16 bytes long.
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{288} normal block at 0x000002B63C392900, 16 bytes long.
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{287} normal block at 0x000002B63C393300, 16 bytes long.
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{286} normal block at 0x000002B63C3932B0, 16 bytes long.
 Data: <p:9<&#182;           > 70 3A 39 3C B6 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B63C38B730, 48 bytes long.
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{284} normal block at 0x000002B63C3925E0, 16 bytes long.
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{283} normal block at 0x000002B63C38D130, 32 bytes long.
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{282} normal block at 0x000002B63C392A90, 16 bytes long.
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{280} normal block at 0x000002B63C392CC0, 16 bytes long.
 Data: <(\7<&#182;           > 28 5C 37 3C B6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B63C392540, 16 bytes long.
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{278} normal block at 0x000002B63C3926D0, 16 bytes long.
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{277} normal block at 0x000002B63C392590, 16 bytes long.
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{276} normal block at 0x000002B63C392680, 16 bytes long.
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{275} normal block at 0x000002B63C38D490, 32 bytes long.
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{274} normal block at 0x000002B63C393170, 16 bytes long.
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{273} normal block at 0x000002B63C375B60, 320 bytes long.
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{272} normal block at 0x000002B63C393260, 16 bytes long.
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{271} normal block at 0x000002B63C392C70, 16 bytes long.
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{270} normal block at 0x000002B63C38D430, 32 bytes long.
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{269} normal block at 0x000002B63C393120, 16 bytes long.
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{268} normal block at 0x000002B63C38D3D0, 32 bytes long.
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{267} normal block at 0x000002B63C3933A0, 16 bytes long.
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{266} normal block at 0x000002B63C3930D0, 16 bytes long.
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{265} normal block at 0x000002B63C392EA0, 16 bytes long.
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{264} normal block at 0x000002B63C393350, 16 bytes long.
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{263} normal block at 0x000002B63C392720, 16 bytes long.
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{262} normal block at 0x000002B63C392F40, 16 bytes long.
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{260} normal block at 0x000002B63C392D60, 16 bytes long.
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{259} normal block at 0x000002B63C38BA40, 40 bytes long.
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{258} normal block at 0x000002B63C392950, 16 bytes long.
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{257} normal block at 0x000002B63C3929A0, 16 bytes long.
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{256} normal block at 0x000002B63C38CE90, 32 bytes long.
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{255} normal block at 0x000002B63C3931C0, 16 bytes long.
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{254} normal block at 0x000002B63C393810, 992 bytes long.
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{90} normal block at 0x000002B63C38D8B0, 32 bytes long.
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{89} normal block at 0x000002B63C387230, 16 bytes long.
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{88} normal block at 0x000002B63C38B7A0, 40 bytes long.
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{67} normal block at 0x000002B63C3872D0, 16 bytes long.
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{66} normal block at 0x000002B63C386EC0, 16 bytes long.
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{65} normal block at 0x000002B63C386C40, 16 bytes long.
 Data: <&#248;W&#140;8&#246;           > F8 57 8C 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B63C3866A0, 16 bytes long.
 Data: <&#216;W&#140;8&#246;           > D8 57 8C 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B63C387410, 16 bytes long.
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{62} normal block at 0x000002B63C386B00, 16 bytes long.
 Data: <0 &#140;8&#246;           > 30 04 8C 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B63C386600, 16 bytes long.
 Data: <&#224; &#140;8&#246;           > E0 02 8C 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B63C3870F0, 16 bytes long.
 Data: <  &#140;8&#246;           > 10 04 8C 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002B63C386B50, 16 bytes long.
 Data: <p &#140;8&#246;           > 70 04 8C 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002B63C386650, 16 bytes long.
 Data: < &#192;&#138;8&#246;           > 18 C0 8A 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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