Task 38672444

Name test_437-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND2056_0
Workunit 31614584
Created 25 Oct 2026, 23:26:56 UTC
Sent 25 Oct 2026, 23:27:05 UTC
Report deadline 30 Oct 2026, 23:27:05 UTC
Received 25 Oct 2026, 23:36:25 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652307
Run time 3 min 15 sec
CPU time 56 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,409.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 489.14 MB
Peak swap size 9.34 GB
Peak disk usage 2.69 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
(null) nelze spustit.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:33:27 (18484): wrapper (7.9.26016): starting
00:33:27 (18484): 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
00:33:29 (18484): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:33:29 (18484): 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\16\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\16\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\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\16\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\16\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\16\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\16\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\16\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
00:34:50 (18484): C:/Windows/system32/cmd.exe exited; CPU time 56.593750
00:34:50 (18484): app exit status: 0x16
00:34:50 (18484): 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: 1145405 bytes.
Dumping objects ->
{3835372} normal block at 0x000001C68B775970, 48 bytes long.
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{3835361} normal block at 0x000001C68B775C80, 48 bytes long.
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{3835350} normal block at 0x000001C68B775E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835339} normal block at 0x000001C68B775B30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835328} normal block at 0x000001C68B775820, 48 bytes long.
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{3835297} normal block at 0x000001C68D5563B0, 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) : {3835284} normal block at 0x000001C68B76E870, 8 bytes long.
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{3833953} normal block at 0x000001C68B76DD80, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001C68B770930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C68B7654A0, 80 bytes long.
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{292} normal block at 0x000001C68B774720, 16 bytes long.
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{291} normal block at 0x000001C68B774BD0, 16 bytes long.
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{290} normal block at 0x000001C68B76F820, 32 bytes long.
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{289} normal block at 0x000001C68B774F40, 16 bytes long.
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{288} normal block at 0x000001C68B775120, 16 bytes long.
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{287} normal block at 0x000001C68B774360, 16 bytes long.
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{286} normal block at 0x000001C68B7749A0, 16 bytes long.
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{285} normal block at 0x000001C68B775900, 48 bytes long.
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{284} normal block at 0x000001C68B774680, 16 bytes long.
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{283} normal block at 0x000001C68B76F2E0, 32 bytes long.
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{282} normal block at 0x000001C68B774630, 16 bytes long.
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{280} normal block at 0x000001C68B775080, 16 bytes long.
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{279} normal block at 0x000001C68B7746D0, 16 bytes long.
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{278} normal block at 0x000001C68B774AE0, 16 bytes long.
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{277} normal block at 0x000001C68B774950, 16 bytes long.
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{276} normal block at 0x000001C68B774900, 16 bytes long.
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{275} normal block at 0x000001C68B76F460, 32 bytes long.
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{274} normal block at 0x000001C68B774540, 16 bytes long.
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{273} normal block at 0x000001C68B76D920, 320 bytes long.
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{272} normal block at 0x000001C68B774B30, 16 bytes long.
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{271} normal block at 0x000001C68B7747C0, 16 bytes long.
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{270} normal block at 0x000001C68B76EF80, 32 bytes long.
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{269} normal block at 0x000001C68B775030, 16 bytes long.
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{268} normal block at 0x000001C68B76FA60, 32 bytes long.
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{267} normal block at 0x000001C68B774450, 16 bytes long.
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{266} normal block at 0x000001C68B774A90, 16 bytes long.
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{265} normal block at 0x000001C68B7745E0, 16 bytes long.
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{264} normal block at 0x000001C68B774E00, 16 bytes long.
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{263} normal block at 0x000001C68B774310, 16 bytes long.
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{262} normal block at 0x000001C68B774FE0, 16 bytes long.
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{260} normal block at 0x000001C68B774CC0, 16 bytes long.
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{259} normal block at 0x000001C68B75D230, 40 bytes long.
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{258} normal block at 0x000001C68B774590, 16 bytes long.
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{257} normal block at 0x000001C68B7748B0, 16 bytes long.
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{256} normal block at 0x000001C68B76EBC0, 32 bytes long.
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{255} normal block at 0x000001C68B774860, 16 bytes long.
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{254} normal block at 0x000001C68B7752D0, 992 bytes long.
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{90} normal block at 0x000001C68B76F880, 32 bytes long.
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{89} normal block at 0x000001C68B76EA50, 16 bytes long.
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{88} normal block at 0x000001C68B75C640, 40 bytes long.
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{67} normal block at 0x000001C68B76E730, 16 bytes long.
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{66} normal block at 0x000001C68B76E7D0, 16 bytes long.
 Data: <@&#233;k&#210;&#247;           > 40 E9 6B D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C68B76E5F0, 16 bytes long.
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{64} normal block at 0x000001C68B76E5A0, 16 bytes long.
 Data: <&#216;Wh&#210;&#247;           > D8 57 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C68B76EA00, 16 bytes long.
 Data: <P h&#210;&#247;           > 50 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C68B76E550, 16 bytes long.
 Data: <0 h&#210;&#247;           > 30 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C68B76E190, 16 bytes long.
 Data: <&#224; h&#210;&#247;           > E0 02 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C68B76E9B0, 16 bytes long.
 Data: <  h&#210;&#247;           > 10 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C68B76E280, 16 bytes long.
 Data: <p h&#210;&#247;           > 70 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C68B76DFB0, 16 bytes long.
 Data: < &#192;f&#210;&#247;           > 18 C0 66 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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