Task 38615443
| Name | hif2a_2_A39_A17_r0_5-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND5225_0 |
| Workunit | 31567744 |
| Created | 17 Apr 2026, 16:50:13 UTC |
| Sent | 17 Apr 2026, 17:20:22 UTC |
| Report deadline | 22 Apr 2026, 17:20:22 UTC |
| Received | 17 Apr 2026, 17:29:46 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 599714 |
| Run time | 2 min 36 sec |
| CPU time | 4 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 | 39.50 MB |
| Peak swap size | 27.29 MB |
| Peak disk usage | 3.65 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>
19:27:43 (2724): wrapper (7.9.26016): starting
19:27:43 (2724): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A17_0.pdb
QB_A39_A17_0.xml
QB_A39_A17.inpcrd
QB_A39_A17_input.yaml
QB_A39_A17.pdb
QB_A39_A17.prmtop
QB_A39_A17_sys.xml
run.bat
run.sh
19:27:45 (2724): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:27:45 (2724): 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 dostêpu
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 dostêpu
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-qxamqmq1\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
19:28:02 (2724): C:/Windows/system32/cmd.exe exited; CPU time 4.187500
19:28:02 (2724): app exit status: 0x16
19:28:02 (2724): 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: 482603 bytes.
Dumping objects ->
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{3835215} normal block at 0x000001C0C9F65310, 48 bytes long.
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{3835204} normal block at 0x000001C0C9F65A10, 48 bytes long.
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{3835193} normal block at 0x000001C0C9F658C0, 48 bytes long.
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{3835151} normal block at 0x000001C0C9FBDCE0, 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) : {3835148} normal block at 0x000001C0C9F5DBF0, 8 bytes long.
Data: < ìÉÀ > 00 00 EC C9 C0 01 00 00
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Object dump complete.
</stderr_txt>
]]>
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