Task 38668578

Name test_770-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND7807_0
Workunit 31611065
Created 25 Oct 2026, 12:10:07 UTC
Sent 25 Oct 2026, 12:10:12 UTC
Report deadline 30 Oct 2026, 12:10:12 UTC
Received 25 Oct 2026, 12:19:15 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 16 sec
CPU time 47 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 528.89 MB
Peak swap size 9.38 GB
Peak disk usage 2.34 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>
13:16:19 (20160): wrapper (7.9.26016): starting
13:16:19 (20160): 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
13:16:21 (20160): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:16:21 (20160): 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\0\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\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\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\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\0\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\0\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\0\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
13:17:41 (20160): C:/Windows/system32/cmd.exe exited; CPU time 47.531250
13:17:41 (20160): app exit status: 0x16
13:17:41 (20160): 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: 1159379 bytes.
Dumping objects ->
{3835372} normal block at 0x000001A107775740, 48 bytes long.
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{3835361} normal block at 0x000001A107775E40, 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 0x000001A107775DD0, 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 0x000001A107775820, 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 0x000001A107775CF0, 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 0x000001A10952AFB0, 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 0x000001A10776E640, 8 bytes long.
 Data: <  &#210;     > 00 00 D2 07 A1 01 00 00 
{3833953} normal block at 0x000001A10776DCE0, 8 bytes long.
 Data: <&#160;&#135;W	    > A0 87 57 09 A1 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001A10776FDF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A1077654A0, 80 bytes long.
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{292} normal block at 0x000001A1077751C0, 16 bytes long.
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{291} normal block at 0x000001A107774C70, 16 bytes long.
 Data: <&#208;Uw             > D0 55 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A10776EDA0, 32 bytes long.
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{289} normal block at 0x000001A107774860, 16 bytes long.
 Data: <&#168;Uw             > A8 55 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A107774450, 16 bytes long.
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{287} normal block at 0x000001A1077749F0, 16 bytes long.
 Data: <XUw             > 58 55 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A107775080, 16 bytes long.
 Data: <0Uw             > 30 55 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A107775BA0, 48 bytes long.
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{284} normal block at 0x000001A107774540, 16 bytes long.
 Data: <8&#218;v             > 38 DA 76 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A10776F5E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001A107775030, 16 bytes long.
 Data: < &#218;v             > 10 DA 76 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A107774810, 16 bytes long.
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{279} normal block at 0x000001A107774400, 16 bytes long.
 Data: <&#192;&#217;v             > C0 D9 76 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A1077749A0, 16 bytes long.
 Data: < &#217;v             > 98 D9 76 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A107774900, 16 bytes long.
 Data: <p&#217;v             > 70 D9 76 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A1077743B0, 16 bytes long.
 Data: <H&#217;v             > 48 D9 76 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A10776EFE0, 32 bytes long.
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{274} normal block at 0x000001A107774D60, 16 bytes long.
 Data: < &#217;v             > 20 D9 76 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A10776D920, 320 bytes long.
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{272} normal block at 0x000001A107775210, 16 bytes long.
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{271} normal block at 0x000001A107774F40, 16 bytes long.
 Data: <&#232;Tw             > E8 54 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A10776F520, 32 bytes long.
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{269} normal block at 0x000001A107774FE0, 16 bytes long.
 Data: <&#192;Tw             > C0 54 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A10776F580, 32 bytes long.
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{267} normal block at 0x000001A107774950, 16 bytes long.
 Data: < Tw             > 08 54 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A107774CC0, 16 bytes long.
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{265} normal block at 0x000001A107774D10, 16 bytes long.
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{264} normal block at 0x000001A1077744A0, 16 bytes long.
 Data: < Sw             > 90 53 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A107774F90, 16 bytes long.
 Data: <hSw             > 68 53 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A107774EF0, 16 bytes long.
 Data: <@Sw             > 40 53 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A107774360, 16 bytes long.
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{259} normal block at 0x000001A10775D230, 40 bytes long.
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{258} normal block at 0x000001A1077747C0, 16 bytes long.
 Data: < Sw             > 20 53 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A107774770, 16 bytes long.
 Data: <&#248;Rw             > F8 52 77 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A10776F400, 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 0x000001A107774310, 16 bytes long.
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{254} normal block at 0x000001A1077752D0, 992 bytes long.
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{90} normal block at 0x000001A10776F1C0, 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 0x000001A10776E870, 16 bytes long.
 Data: <@&#198;u             > 40 C6 75 07 A1 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001A10775C640, 40 bytes long.
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{67} normal block at 0x000001A10776E820, 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 0x000001A10776E410, 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 0x000001A10776E370, 16 bytes long.
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{64} normal block at 0x000001A10776E690, 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 0x000001A10776E280, 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 0x000001A10776E500, 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 0x000001A10776E0A0, 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 0x000001A10776E5F0, 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 0x000001A10776E730, 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 0x000001A10776E4B0, 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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