Task 38669080

Name test_279-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1569_1
Workunit 31611463
Created 25 Oct 2026, 13:34:34 UTC
Sent 25 Oct 2026, 13:34:41 UTC
Report deadline 30 Oct 2026, 13:34:41 UTC
Received 25 Oct 2026, 13:44:36 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 9 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 412.86 MB
Peak swap size 9.26 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>
14:41:19 (13232): wrapper (7.9.26016): starting
14:41:19 (13232): 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
14:41:21 (13232): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:41:21 (13232): 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\12\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\12\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\12\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\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\12\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\12\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\12\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\12\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
14:42:43 (13232): C:/Windows/system32/cmd.exe exited; CPU time 56.562500
14:42:43 (13232): app exit status: 0x16
14:42:43 (13232): 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: 1140473 bytes.
Dumping objects ->
{3835372} normal block at 0x000001D8633F5CF0, 48 bytes long.
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{3835361} normal block at 0x000001D8633F5DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x000001D8633F5BA0, 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 0x000001D8633F5B30, 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 0x000001D8633F5D60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835297} normal block at 0x000001D865147A30, 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 0x000001D8633EE6E0, 8 bytes long.
 Data: <  9c&#216;   > 00 00 39 63 D8 01 00 00 
{3833953} normal block at 0x000001D8633EE870, 8 bytes long.
 Data: <&#160;&#135; e&#216;   > A0 87 19 65 D8 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001D8633F06B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D8633E5410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001D8633F4B30, 16 bytes long.
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{291} normal block at 0x000001D8633F5030, 16 bytes long.
 Data: <&#208;U?c&#216;           > D0 55 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D8633EF5E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001D8633F48B0, 16 bytes long.
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{288} normal block at 0x000001D8633F5120, 16 bytes long.
 Data: < U?c&#216;           > 80 55 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D8633F49F0, 16 bytes long.
 Data: <XU?c&#216;           > 58 55 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D8633F5170, 16 bytes long.
 Data: <0U?c&#216;           > 30 55 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D8633F5C80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001D8633F4630, 16 bytes long.
 Data: <8&#218;>c&#216;           > 38 DA 3E 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D8633EEDA0, 32 bytes long.
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{282} normal block at 0x000001D8633F4860, 16 bytes long.
 Data: < &#218;>c&#216;           > 10 DA 3E 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D8633F4F90, 16 bytes long.
 Data: <&#232;&#217;>c&#216;           > E8 D9 3E 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D8633F4DB0, 16 bytes long.
 Data: <&#192;&#217;>c&#216;           > C0 D9 3E 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D8633F4A40, 16 bytes long.
 Data: < &#217;>c&#216;           > 98 D9 3E 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D8633F51C0, 16 bytes long.
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{276} normal block at 0x000001D8633F5080, 16 bytes long.
 Data: <H&#217;>c&#216;           > 48 D9 3E 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D8633EEF80, 32 bytes long.
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{274} normal block at 0x000001D8633F4AE0, 16 bytes long.
 Data: < &#217;>c&#216;           > 20 D9 3E 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D8633ED920, 320 bytes long.
 Data: <&#224;J?c&#216;    &#239;>c&#216;   > E0 4A 3F 63 D8 01 00 00 80 EF 3E 63 D8 01 00 00 
{272} normal block at 0x000001D8633F4CC0, 16 bytes long.
 Data: < U?c&#216;           > 10 55 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D8633F5260, 16 bytes long.
 Data: <&#232;T?c&#216;           > E8 54 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D8633EEE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001D8633F4BD0, 16 bytes long.
 Data: <&#192;T?c&#216;           > C0 54 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D8633EF520, 32 bytes long.
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{267} normal block at 0x000001D8633F47C0, 16 bytes long.
 Data: < T?c&#216;           > 08 54 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D8633F4900, 16 bytes long.
 Data: <&#224;S?c&#216;           > E0 53 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D8633F4F40, 16 bytes long.
 Data: <&#184;S?c&#216;           > B8 53 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D8633F4400, 16 bytes long.
 Data: < S?c&#216;           > 90 53 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D8633F4EA0, 16 bytes long.
 Data: <hS?c&#216;           > 68 53 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D8633F4EF0, 16 bytes long.
 Data: <@S?c&#216;           > 40 53 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D8633F4FE0, 16 bytes long.
 Data: <0&#210;=c&#216;           > 30 D2 3D 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D8633DD230, 40 bytes long.
 Data: <&#224;O?c&#216;   0z e&#216;   > E0 4F 3F 63 D8 01 00 00 30 7A 14 65 D8 01 00 00 
{258} normal block at 0x000001D8633F5210, 16 bytes long.
 Data: < S?c&#216;           > 20 53 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D8633F44F0, 16 bytes long.
 Data: <&#248;R?c&#216;           > F8 52 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D8633EED40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001D8633F4E50, 16 bytes long.
 Data: <&#208;R?c&#216;           > D0 52 3F 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D8633F52D0, 992 bytes long.
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{90} normal block at 0x000001D8633EF460, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001D8633EDD80, 16 bytes long.
 Data: <@&#198;=c&#216;           > 40 C6 3D 63 D8 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001D8633DC640, 40 bytes long.
 Data: < &#221;>c&#216;   `&#244;>c&#216;   > 80 DD 3E 63 D8 01 00 00 60 F4 3E 63 D8 01 00 00 
{67} normal block at 0x000001D8633EE0A0, 16 bytes long.
 Data: < &#234;k&#210;&#247;           > 80 EA 6B D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D8633EE4B0, 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 0x000001D8633EE190, 16 bytes long.
 Data: <&#248;Wh&#210;&#247;           > F8 57 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D8633EE320, 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 0x000001D8633EE8C0, 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 0x000001D8633EE2D0, 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 0x000001D8633EE3C0, 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 0x000001D8633EE910, 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 0x000001D8633EE820, 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 0x000001D8633EE050, 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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