Task 38628500

Name cdk8_A31_A23_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND4368_3
Workunit 31577436
Created 24 Apr 2026, 19:19:53 UTC
Sent 24 Apr 2026, 19:20:03 UTC
Report deadline 29 Apr 2026, 19:20:03 UTC
Received 24 Apr 2026, 19:23:28 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652220
Run time 1 min 21 sec
CPU time 10 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 4,511.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 338.49 MB
Peak swap size 7.67 GB
Peak disk usage 1.52 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
System operacyjny nie mo�e uruchomi� (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
21:21:07 (29656): wrapper (7.9.26016): starting
21:21:07 (29656): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A23.inpcrd
QB_A31_A23_input.yaml
QB_A31_A23.pdb
QB_A31_A23.prmtop
QB_A31_A23_sys.xml
run.bat
run.sh
21:21:08 (29656): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:21:08 (29656): 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\9\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\9\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\9\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
    self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
    self.simulation.loadState(self.basename + "_0.xml")
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\openmm\app\simulation.py", line 359, in loadState
    with open(file, 'r') as f:
         ^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A31_A23_0.xml'
21:21:32 (29656): C:/Windows/system32/cmd.exe exited; CPU time 10.281250
21:21:32 (29656): app exit status: 0x16
21:21:32 (29656): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 642495 bytes.
Dumping objects ->
{3835276} normal block at 0x0000015AD48A9830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000015AD48A9980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000015AD48A98A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x0000015AD48AA1D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000015AD48A9D70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x0000015AD665ABC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000015AD48DEC00, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835187} normal block at 0x0000015AD487E5F0, 8 bytes long.
 Data: <  &#242;&#212;Z   > 00 00 F2 D4 5A 01 00 00 
{3834573} normal block at 0x0000015AD48DF0E0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000015AD487E050, 8 bytes long.
 Data: < &#222;&#134;&#212;Z   > 10 DE 86 D4 5A 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000015AD4871710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000015AD4872E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000015AD4887170, 16 bytes long.
 Data: <&#248;u &#212;Z           > F8 75 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000015AD4886310, 16 bytes long.
 Data: <&#208;u &#212;Z           > D0 75 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000015AD4880C80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000015AD4887120, 16 bytes long.
 Data: <&#168;u &#212;Z           > A8 75 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015AD48870D0, 16 bytes long.
 Data: < u &#212;Z           > 80 75 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015AD4886900, 16 bytes long.
 Data: <Xu &#212;Z           > 58 75 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015AD48864F0, 16 bytes long.
 Data: <0u &#212;Z           > 30 75 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015AD4882110, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000015AD4886C70, 16 bytes long.
 Data: <X &#135;&#212;Z           > 58 0E 87 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015AD4880680, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000015AD48864A0, 16 bytes long.
 Data: <0 &#135;&#212;Z           > 30 0E 87 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015AD4886F90, 16 bytes long.
 Data: <  &#135;&#212;Z           > 08 0E 87 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015AD4887080, 16 bytes long.
 Data: <&#224; &#135;&#212;Z           > E0 0D 87 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015AD48868B0, 16 bytes long.
 Data: <&#184; &#135;&#212;Z           > B8 0D 87 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015AD4886450, 16 bytes long.
 Data: <  &#135;&#212;Z           > 90 0D 87 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015AD48863B0, 16 bytes long.
 Data: <h &#135;&#212;Z           > 68 0D 87 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015AD48810A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000015AD4886AE0, 16 bytes long.
 Data: <@ &#135;&#212;Z           > 40 0D 87 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015AD4870D40, 320 bytes long.
 Data: <&#224;j &#212;Z   &#160;  &#212;Z   > E0 6A 88 D4 5A 01 00 00 A0 10 88 D4 5A 01 00 00 
{279} normal block at 0x0000015AD4886720, 16 bytes long.
 Data: < u &#212;Z           > 10 75 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015AD4886EA0, 16 bytes long.
 Data: <&#232;t &#212;Z           > E8 74 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015AD4881040, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000015AD4886950, 16 bytes long.
 Data: <&#192;t &#212;Z           > C0 74 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015AD4880DA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000015AD4886BD0, 16 bytes long.
 Data: < t &#212;Z           > 08 74 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015AD4886810, 16 bytes long.
 Data: <&#224;s &#212;Z           > E0 73 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015AD48865E0, 16 bytes long.
 Data: <&#184;s &#212;Z           > B8 73 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015AD4886770, 16 bytes long.
 Data: < s &#212;Z           > 90 73 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015AD4886DB0, 16 bytes long.
 Data: <hs &#212;Z           > 68 73 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015AD4886360, 16 bytes long.
 Data: <@s &#212;Z           > 40 73 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015AD4886860, 16 bytes long.
 Data: <`" &#212;Z           > 60 22 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015AD4882260, 40 bytes long.
 Data: <`h &#212;Z   &#192;&#171;e&#214;Z   > 60 68 88 D4 5A 01 00 00 C0 AB 65 D6 5A 01 00 00 
{265} normal block at 0x0000015AD4886E50, 16 bytes long.
 Data: < s &#212;Z           > 20 73 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015AD4886680, 16 bytes long.
 Data: <&#248;r &#212;Z           > F8 72 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015AD4880F80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000015AD4887030, 16 bytes long.
 Data: <&#208;r &#212;Z           > D0 72 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015AD48872D0, 992 bytes long.
 Data: <0p &#212;Z      &#212;Z   > 30 70 88 D4 5A 01 00 00 80 0F 88 D4 5A 01 00 00 
{97} normal block at 0x0000015AD4880560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000015AD487E000, 16 bytes long.
 Data: < % &#212;Z           > 00 25 88 D4 5A 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000015AD4882500, 40 bytes long.
 Data: < &#224;&#135;&#212;Z   `  &#212;Z   > 00 E0 87 D4 5A 01 00 00 60 05 88 D4 5A 01 00 00 
{74} normal block at 0x0000015AD487E5A0, 16 bytes long.
 Data: < &#234;l&#173;&#247;           > 80 EA 6C AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000015AD487E780, 16 bytes long.
 Data: <@&#233;l&#173;&#247;           > 40 E9 6C AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000015AD487E730, 16 bytes long.
 Data: <&#248;Wi&#173;&#247;           > F8 57 69 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000015AD487E280, 16 bytes long.
 Data: <&#216;Wi&#173;&#247;           > D8 57 69 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000015AD487DDD0, 16 bytes long.
 Data: <P i&#173;&#247;           > 50 04 69 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015AD487DF60, 16 bytes long.
 Data: <0 i&#173;&#247;           > 30 04 69 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015AD487E6E0, 16 bytes long.
 Data: <&#224; i&#173;&#247;           > E0 02 69 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015AD487E140, 16 bytes long.
 Data: <  i&#173;&#247;           > 10 04 69 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015AD487DF10, 16 bytes long.
 Data: <p i&#173;&#247;           > 70 04 69 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015AD487E690, 16 bytes long.
 Data: < &#192;g&#173;&#247;           > 18 C0 67 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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