Task 38688824

Name test_678-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2907_0
Workunit 31630134
Created 28 Oct 2026, 16:24:56 UTC
Sent 28 Oct 2026, 16:25:02 UTC
Report deadline 2 Nov 2026, 16:25:02 UTC
Received 28 Oct 2026, 16:34:32 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 7 sec
CPU time 48 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 407.15 MB
Peak swap size 9.25 GB
Peak disk usage 2.41 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
<sporadic_ac> nelze spustit.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:31:33 (9832): wrapper (7.9.26016): starting
17:31:33 (9832): 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
17:31:35 (9832): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:31:35 (9832): 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\6\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\6\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\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\6\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\6\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\6\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\6\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\6\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
17:32:54 (9832): C:/Windows/system32/cmd.exe exited; CPU time 48.359375
17:32:54 (9832): app exit status: 0x16
17:32:54 (9832): 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: 1155539 bytes.
Dumping objects ->
{3835372} normal block at 0x000002A41D725A50, 48 bytes long.
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{3835361} normal block at 0x000002A41D725970, 48 bytes long.
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{3835350} normal block at 0x000002A41D7257B0, 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 0x000002A41D725C10, 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 0x000002A41D725E40, 48 bytes long.
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{3835297} normal block at 0x000002A41F3E7430, 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 0x000002A41D71EA50, 8 bytes long.
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{3833953} normal block at 0x000002A41D71E5F0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002A41D7202F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A41D715770, 80 bytes long.
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{292} normal block at 0x000002A41D725210, 16 bytes long.
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{291} normal block at 0x000002A41D724BD0, 16 bytes long.
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{290} normal block at 0x000002A41D71F7C0, 32 bytes long.
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{289} normal block at 0x000002A41D724B30, 16 bytes long.
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{288} normal block at 0x000002A41D724EA0, 16 bytes long.
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{287} normal block at 0x000002A41D7250D0, 16 bytes long.
 Data: <XUr &#164;           > 58 55 72 1D A4 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A41D724A40, 16 bytes long.
 Data: <0Ur &#164;           > 30 55 72 1D A4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A41D725B30, 48 bytes long.
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{284} normal block at 0x000002A41D724F40, 16 bytes long.
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{283} normal block at 0x000002A41D71F220, 32 bytes long.
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{282} normal block at 0x000002A41D724AE0, 16 bytes long.
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{280} normal block at 0x000002A41D7251C0, 16 bytes long.
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{279} normal block at 0x000002A41D724E00, 16 bytes long.
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{278} normal block at 0x000002A41D7246D0, 16 bytes long.
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{277} normal block at 0x000002A41D7249A0, 16 bytes long.
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{276} normal block at 0x000002A41D724A90, 16 bytes long.
 Data: <H&#217;q &#164;           > 48 D9 71 1D A4 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A41D71F1C0, 32 bytes long.
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{274} normal block at 0x000002A41D724540, 16 bytes long.
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{273} normal block at 0x000002A41D71D920, 320 bytes long.
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{272} normal block at 0x000002A41D725080, 16 bytes long.
 Data: < Ur &#164;           > 10 55 72 1D A4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A41D724F90, 16 bytes long.
 Data: <&#232;Tr &#164;           > E8 54 72 1D A4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A41D71F640, 32 bytes long.
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{269} normal block at 0x000002A41D724630, 16 bytes long.
 Data: <&#192;Tr &#164;           > C0 54 72 1D A4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A41D71F340, 32 bytes long.
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{267} normal block at 0x000002A41D724450, 16 bytes long.
 Data: < Tr &#164;           > 08 54 72 1D A4 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A41D725170, 16 bytes long.
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{265} normal block at 0x000002A41D724400, 16 bytes long.
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{264} normal block at 0x000002A41D724360, 16 bytes long.
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{263} normal block at 0x000002A41D724B80, 16 bytes long.
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{262} normal block at 0x000002A41D724EF0, 16 bytes long.
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{260} normal block at 0x000002A41D7243B0, 16 bytes long.
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{259} normal block at 0x000002A41D70D230, 40 bytes long.
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{258} normal block at 0x000002A41D724DB0, 16 bytes long.
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{257} normal block at 0x000002A41D724900, 16 bytes long.
 Data: <&#248;Rr &#164;           > F8 52 72 1D A4 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A41D71F0A0, 32 bytes long.
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{255} normal block at 0x000002A41D724590, 16 bytes long.
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{254} normal block at 0x000002A41D7252D0, 992 bytes long.
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{90} normal block at 0x000002A41D71F100, 32 bytes long.
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{89} normal block at 0x000002A41D71DCE0, 16 bytes long.
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{88} normal block at 0x000002A41D70C640, 40 bytes long.
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{67} normal block at 0x000002A41D71E3C0, 16 bytes long.
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{66} normal block at 0x000002A41D71EA00, 16 bytes long.
 Data: <@&#233;?\&#246;           > 40 E9 3F 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A41D71E320, 16 bytes long.
 Data: <&#248;W<\&#246;           > F8 57 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A41D71E640, 16 bytes long.
 Data: <&#216;W<\&#246;           > D8 57 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A41D71E550, 16 bytes long.
 Data: <P <\&#246;           > 50 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A41D71E9B0, 16 bytes long.
 Data: <0 <\&#246;           > 30 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A41D71E230, 16 bytes long.
 Data: <&#224; <\&#246;           > E0 02 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A41D71E370, 16 bytes long.
 Data: <  <\&#246;           > 10 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A41D71E870, 16 bytes long.
 Data: <p <\&#246;           > 70 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A41D71E960, 16 bytes long.
 Data: < &#192;:\&#246;           > 18 C0 3A 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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