Task 38615130
| Name | hif2a_2_A28_A15_r0_3-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND6066_0 |
| Workunit | 31567432 |
| Created | 17 Apr 2026, 16:46:41 UTC |
| Sent | 17 Apr 2026, 16:47:27 UTC |
| Report deadline | 22 Apr 2026, 16:47:27 UTC |
| Received | 17 Apr 2026, 16:57:51 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 31 sec |
| CPU time | 3 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 | 53.61 MB |
| Peak swap size | 37.53 MB |
| Peak disk usage | 1.43 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>
18:55:34 (5432): wrapper (7.9.26016): starting
18:55:34 (5432): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A15_0.pdb
QB_A28_A15_0.xml
QB_A28_A15.inpcrd
QB_A28_A15_input.yaml
QB_A28_A15.pdb
QB_A28_A15.prmtop
QB_A28_A15_sys.xml
run.bat
run.sh
18:55:37 (5432): Library/usr/bin/tar.exe exited; CPU time 0.031250
18:55:37 (5432): 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-3ukjjt_z\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
18:55:56 (5432): C:/Windows/system32/cmd.exe exited; CPU time 3.218750
18:55:56 (5432): app exit status: 0x16
18:55:56 (5432): 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: 506511 bytes.
Dumping objects ->
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{3835151} normal block at 0x00000247C5BADF50, 140 bytes long.
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Object dump complete.
</stderr_txt>
]]>
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