Task 38615820

Name hif2a_2_A09_A10_r0_3-QUICO_ATM_OpenFF_NAGL_hif2a_2-1-6-RND1679_0
Workunit 31568053
Created 17 Apr 2026, 17:29:38 UTC
Sent 17 Apr 2026, 17:56:37 UTC
Report deadline 22 Apr 2026, 17:56:37 UTC
Received 17 Apr 2026, 18:07:19 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 599714
Run time 3 min 10 sec
CPU time 7 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 115,554.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.71 MB
Peak swap size 35.63 MB
Peak disk usage 1.54 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>
20:05:01 (34008): wrapper (7.9.26016): starting
20:05:01 (34008): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A10_0.pdb
QB_A09_A10_0.xml
QB_A09_A10.inpcrd
QB_A09_A10_input.yaml
QB_A09_A10.pdb
QB_A09_A10.prmtop
QB_A09_A10_sys.xml
run.bat
run.sh
20:05:03 (34008): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:05:03 (34008): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ERROR: Could not install packages due to an OSError.
Consider using the `--user` option or check the permissions.
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\commands\install.py", line 379, in run
    requirement_set = resolver.resolve(
                      ^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\resolution\resolvelib\resolver.py", line 179, in resolve
    self.factory.preparer.prepare_linked_requirements_more(reqs)
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\operations\prepare.py", line 554, in prepare_linked_requirements_more
    self._complete_partial_requirements(
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\operations\prepare.py", line 489, in _complete_partial_requirements
    self._prepare_linked_requirement(req, parallel_builds)
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\operations\prepare.py", line 615, in _prepare_linked_requirement
    local_file = File(file_path, content_type=None)
                 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "<string>", line 5, in __init__
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\operations\prepare.py", line 91, in __post_init__
    self.content_type = mimetypes.guess_type(self.path)[0]
                        ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\11\Lib\mimetypes.py", line 312, in guess_type
    init()
  File "C:\ProgramData\BOINC\slots\11\Lib\mimetypes.py", line 374, in init
    db.read_windows_registry()
  File "C:\ProgramData\BOINC\slots\11\Lib\mimetypes.py", line 259, in read_windows_registry
    _mimetypes_read_windows_registry(add_type)
PermissionError: [WinError 5] Odmowa dost&#234;pu
  Running command pip subprocess to install build dependencies
  Using pip 24.3.1 from C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip (python 3.11)
  Collecting setuptools
    Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/9d/76/f789f7a86709c6b087c5a2f52f911838cad707cc613162401badc665acfe/setuptools-82.0.1-py3-none-any.whl.metadata
    Using cached setuptools-82.0.1-py3-none-any.whl.metadata (6.5 kB)
  Collecting setuptools-scm>=8
    Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/5c/e1/342c4434df56aa537f6ce7647eefee521d96fbb828b08acd709865767652/setuptools_scm-10.0.5-py3-none-any.whl.metadata
    Using cached setuptools_scm-10.0.5-py3-none-any.whl.metadata (6.5 kB)
  Collecting vcs-versioning>=1.0.0.dev0 (from setuptools-scm>=8)
    Obtaining dependency information for vcs-versioning>=1.0.0.dev0 from https://files.pythonhosted.org/packages/e6/60/73603fbcdbe5e803855bcce4414f94eaeed449083bd8183e67161af78188/vcs_versioning-1.1.1-py3-none-any.whl.metadata
    Using cached vcs_versioning-1.1.1-py3-none-any.whl.metadata (1.6 kB)
  Collecting packaging>=20 (from setuptools-scm>=8)
    Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/7a/c2/920ef838e2f0028c8262f16101ec09ebd5969864e5a64c4c05fad0617c56/packaging-26.1-py3-none-any.whl.metadata
    Using cached packaging-26.1-py3-none-any.whl.metadata (3.5 kB)
  Using cached setuptools-82.0.1-py3-none-any.whl (1.0 MB)
  Using cached setuptools_scm-10.0.5-py3-none-any.whl (21 kB)
  Using cached packaging-26.1-py3-none-any.whl (95 kB)
  Using cached vcs_versioning-1.1.1-py3-none-any.whl (79 kB)
  ERROR: Could not install packages due to an OSError.
  Consider using the `--user` option or check the permissions.
  Traceback (most recent call last):
    File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\commands\install.py", line 379, in run
      requirement_set = resolver.resolve(
                        ^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\resolution\resolvelib\resolver.py", line 179, in resolve
      self.factory.preparer.prepare_linked_requirements_more(reqs)
    File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\operations\prepare.py", line 554, in prepare_linked_requirements_more
      self._complete_partial_requirements(
    File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\operations\prepare.py", line 489, in _complete_partial_requirements
      self._prepare_linked_requirement(req, parallel_builds)
    File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\operations\prepare.py", line 615, in _prepare_linked_requirement
      local_file = File(file_path, content_type=None)
                   ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    File "<string>", line 5, in __init__
    File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\_internal\operations\prepare.py", line 91, in __post_init__
      self.content_type = mimetypes.guess_type(self.path)[0]
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\11\Lib\mimetypes.py", line 312, in guess_type
      init()
    File "C:\ProgramData\BOINC\slots\11\Lib\mimetypes.py", line 374, in init
      db.read_windows_registry()
    File "C:\ProgramData\BOINC\slots\11\Lib\mimetypes.py", line 259, in read_windows_registry
      _mimetypes_read_windows_registry(add_type)
  PermissionError: [WinError 5] Odmowa dost&#234;pu
  error: subprocess-exited-with-error
  
  pip subprocess to install build dependencies did not run successfully.
  exit code: 1
  
  See above for output.
  
  note: This error originates from a subprocess, and is likely not a problem with pip.
  full command: 'C:\ProgramData\BOINC\slots\11\python.exe' 'C:\ProgramData\BOINC\slots\11\Lib\site-packages\pip\__pip-runner__.py' install --ignore-installed --no-user --prefix 'C:\ProgramData\BOINC\slots\11\pip-build-env-yjo0hdn1\overlay' --no-warn-script-location --disable-pip-version-check --target '' -v --no-binary :none: --only-binary :none: -i https://pypi.org/simple -- setuptools 'setuptools-scm>=8'
  cwd: [inherit]
error: subprocess-exited-with-error

pip subprocess to install build dependencies did not run successfully.
exit code: 1

See above for output.

note: This error originates from a subprocess, and is likely not a problem with pip.
python.exe: can't open file 'C:\\ProgramData\\BOINC\\slots\\11\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
20:05:52 (34008): C:/Windows/system32/cmd.exe exited; CPU time 7.218750
20:05:52 (34008): app exit status: 0x16
20:05:52 (34008): 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: 1080115 bytes.
Dumping objects ->
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{3835204} normal block at 0x0000026D46275960, 48 bytes long.
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{3835162} normal block at 0x0000026D47FE4DB0, 64 bytes long.
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{3835151} normal block at 0x0000026D462CD5A0, 140 bytes long.
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{276} normal block at 0x0000026D46276AA0, 16 bytes long.
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Object dump complete.

</stderr_txt>
]]>


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