Task 38638285
| Name | tnks2_A21_A15_r0_1-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND6263_1 |
| Workunit | 31585311 |
| Created | 30 Apr 2026, 4:03:05 UTC |
| Sent | 30 Apr 2026, 4:03:17 UTC |
| Report deadline | 5 May 2026, 4:03:17 UTC |
| Received | 30 Apr 2026, 4:09:16 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 644263 |
| Run time | 3 min 42 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 13,830.53 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 57.80 MB |
| Peak swap size | 41.15 MB |
| Peak disk usage | 4.06 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:06:51 (14768): wrapper (7.9.26016): starting
06:06:51 (14768): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A15_0.pdb
QB_A21_A15_0.xml
QB_A21_A15.inpcrd
QB_A21_A15_input.yaml
QB_A21_A15.pdb
QB_A21_A15.prmtop
QB_A21_A15_sys.xml
run.bat
run.sh
06:06:54 (14768): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:06:54 (14768): 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\4\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.
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\4\Lib\site-packages\pip\_internal\commands\install.py", line 379, in run
requirement_set = resolver.resolve(
^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\resolver.py", line 95, in resolve
result = self._result = resolver.resolve(
^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 546, in resolve
state = resolution.resolve(requirements, max_rounds=max_rounds)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 397, in resolve
self._add_to_criteria(self.state.criteria, r, parent=None)
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 173, in _add_to_criteria
if not criterion.candidates:
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\resolvelib\structs.py", line 156, in __bool__
return bool(self._sequence)
^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 174, in __bool__
return any(self)
^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 162, in <genexpr>
return (c for c in iterator if id(c) not in self._incompatible_ids)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 53, in _iter_built
candidate = func()
^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\factory.py", line 187, in _make_candidate_from_link
base: Optional[BaseCandidate] = self._make_base_candidate_from_link(
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\factory.py", line 233, in _make_base_candidate_from_link
self._link_candidate_cache[link] = LinkCandidate(
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 304, in __init__
super().__init__(
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 159, in __init__
self.dist = self._prepare()
^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 236, in _prepare
dist = self._prepare_distribution()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 315, in _prepare_distribution
return preparer.prepare_linked_requirement(self._ireq, parallel_builds=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\operations\prepare.py", line 527, in prepare_linked_requirement
return self._prepare_linked_requirement(req, parallel_builds)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\operations\prepare.py", line 642, in _prepare_linked_requirement
dist = _get_prepared_distribution(
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\operations\prepare.py", line 75, in _get_prepared_distribution
return abstract_dist.get_metadata_distribution()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\distributions\wheel.py", line 34, in get_metadata_distribution
return get_wheel_distribution(wheel, canonicalize_name(self.req.name))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\metadata\__init__.py", line 106, in get_wheel_distribution
return select_backend().Distribution.from_wheel(wheel, canonical_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\metadata\importlib\_dists.py", line 136, in from_wheel
with wheel.as_zipfile() as zf:
^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\metadata\base.py", line 679, in as_zipfile
return zipfile.ZipFile(self.location, allowZip64=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\zipfile.py", line 1295, in __init__
self.fp = io.open(file, filemode)
^^^^^^^^^^^^^^^^^^^^^^^
PermissionError: [Errno 13] Permission denied: 'C:\\users\\fckmr\\appdata\\local\\pip\\cache\\wheels\\58\\5b\\70\\f9eec45086c9213a0e9027369279d34c29f0ce10b39d9b9d3f\\atom_openmm-8.4.0-py3-none-any.whl'
python.exe: can't open file 'C:\\ProgramData\\BOINC\\slots\\4\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
06:07:08 (14768): C:/Windows/system32/cmd.exe exited; CPU time 1.312500
06:07:08 (14768): app exit status: 0x16
06:07:08 (14768): 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: 535605 bytes.
Dumping objects ->
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{3835790} normal block at 0x0000023524F95410, 48 bytes long.
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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) : {3835735} normal block at 0x0000023524F8D790, 8 bytes long.
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Object dump complete.
</stderr_txt>
]]>
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