Task 38627428
| Name | cdk8_A31_A09_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND0291_0 |
| Workunit | 31577412 |
| Created | 24 Apr 2026, 11:52:51 UTC |
| Sent | 24 Apr 2026, 12:07:18 UTC |
| Report deadline | 29 Apr 2026, 12:07:18 UTC |
| Received | 24 Apr 2026, 14:10:19 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 647492 |
| Run time | 2 min 54 sec |
| CPU time | 5 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,782.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 46.41 MB |
| Peak swap size | 32.67 MB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:07:51 (34380): wrapper (7.9.26016): starting
16:07:51 (34380): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A09_0.pdb
QB_A31_A09_0.xml
QB_A31_A09.inpcrd
QB_A31_A09_input.yaml
QB_A31_A09.pdb
QB_A31_A09.prmtop
QB_A31_A09_sys.xml
run.bat
run.sh
16:08:02 (34380): Library/usr/bin/tar.exe exited; CPU time 0.234375
16:08:02 (34380): 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\2\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\2\Lib\site-packages\pip\_internal\commands\install.py", line 379, in run
requirement_set = resolver.resolve(
^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\pip\_internal\resolution\resolvelib\resolver.py", line 95, in resolve
result = self._result = resolver.resolve(
^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\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\2\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\2\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 173, in _add_to_criteria
if not criterion.candidates:
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\pip\_vendor\resolvelib\structs.py", line 156, in __bool__
return bool(self._sequence)
^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 174, in __bool__
return any(self)
^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\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\2\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 53, in _iter_built
candidate = func()
^^^^^^
File "C:\ProgramData\BOINC\slots\2\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\2\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\2\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 304, in __init__
super().__init__(
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 159, in __init__
self.dist = self._prepare()
^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 236, in _prepare
dist = self._prepare_distribution()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\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\2\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\2\Lib\site-packages\pip\_internal\operations\prepare.py", line 642, in _prepare_linked_requirement
dist = _get_prepared_distribution(
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\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\2\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\2\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\2\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\2\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\2\Lib\zipfile.py", line 1295, in __init__
self.fp = io.open(file, filemode)
^^^^^^^^^^^^^^^^^^^^^^^
PermissionError: [Errno 13] Permission denied: 'C:\\users\\usuario\\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\\2\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
16:08:37 (34380): C:/Windows/system32/cmd.exe exited; CPU time 4.984375
16:08:37 (34380): app exit status: 0x16
16:08:37 (34380): 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: 800393 bytes.
Dumping objects ->
{3835247} normal block at 0x000002207EB99230, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x000002207EB99000, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x000002207EB99460, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835214} normal block at 0x000002207EB997E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x000002207CE24F90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835172} normal block at 0x000002207EBAAD80, 64 bytes long.
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) : {3835159} normal block at 0x000002207CE1D280, 8 bytes long.
Data: < +} > 00 00 2B 7D 20 02 00 00
{3833957} normal block at 0x000002207CE1DAA0, 8 bytes long.
Data: < IÀ~ > 90 49 C0 7E 20 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002207CE10740, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002207CE11A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002207CE26380, 16 bytes long.
Data: < jâ| > 88 6A E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002207CE25D90, 16 bytes long.
Data: <`jâ| > 60 6A E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002207CE20E60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002207CE264C0, 16 bytes long.
Data: <8jâ| > 38 6A E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002207CE25CA0, 16 bytes long.
Data: < jâ| > 10 6A E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002207CE26330, 16 bytes long.
Data: <èiâ| > E8 69 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002207CE25A20, 16 bytes long.
Data: <Àiâ| > C0 69 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002207CE254D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002207CE25F20, 16 bytes long.
Data: < ýà| > 08 FD E0 7C 20 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002207CE20EC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002207CE25ED0, 16 bytes long.
Data: <àüà| > E0 FC E0 7C 20 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002207CE259D0, 16 bytes long.
Data: <¸üà| > B8 FC E0 7C 20 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002207CE26560, 16 bytes long.
Data: < üà| > 90 FC E0 7C 20 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002207CE25980, 16 bytes long.
Data: <hüà| > 68 FC E0 7C 20 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002207CE26600, 16 bytes long.
Data: <@üà| > 40 FC E0 7C 20 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002207CE25E80, 16 bytes long.
Data: < üà| > 18 FC E0 7C 20 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002207CE20F20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002207CE257F0, 16 bytes long.
Data: <ðûà| > F0 FB E0 7C 20 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002207CE0FBF0, 320 bytes long.
Data: <ðWâ| â| > F0 57 E2 7C 20 02 00 00 20 0F E2 7C 20 02 00 00
{274} normal block at 0x000002207CE25B60, 16 bytes long.
Data: < iâ| > A0 69 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002207CE262E0, 16 bytes long.
Data: <xiâ| > 78 69 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002207CE211C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002207CE26290, 16 bytes long.
Data: <Piâ| > 50 69 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002207CE218E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002207CE265B0, 16 bytes long.
Data: < hâ| > 98 68 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002207CE257A0, 16 bytes long.
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{267} normal block at 0x000002207CE25E30, 16 bytes long.
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{266} normal block at 0x000002207CE26240, 16 bytes long.
Data: < hâ| > 20 68 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002207CE26100, 16 bytes long.
Data: <øgâ| > F8 67 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002207CE25DE0, 16 bytes long.
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{262} normal block at 0x000002207CE26470, 16 bytes long.
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{261} normal block at 0x000002207CE250E0, 40 bytes long.
Data: <pdâ| ­º~ > 70 64 E2 7C 20 02 00 00 80 AD BA 7E 20 02 00 00
{260} normal block at 0x000002207CE261F0, 16 bytes long.
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{259} normal block at 0x000002207CE25C50, 16 bytes long.
Data: < gâ| > 88 67 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002207CE20F80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002207CE260B0, 16 bytes long.
Data: <`gâ| > 60 67 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002207CE26760, 992 bytes long.
Data: <°`â| â| > B0 60 E2 7C 20 02 00 00 80 0F E2 7C 20 02 00 00
{92} normal block at 0x000002207CE20D40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002207CE1DFA0, 16 bytes long.
Data: <pPâ| > 70 50 E2 7C 20 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002207CE25070, 40 bytes long.
Data: < ßá| @ â| > A0 DF E1 7C 20 02 00 00 40 0D E2 7C 20 02 00 00
{69} normal block at 0x000002207CE1DBE0, 16 bytes long.
Data: < êÍKö > 80 EA CD 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002207CE1DB40, 16 bytes long.
Data: <@éÍKö > 40 E9 CD 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002207CE1D2D0, 16 bytes long.
Data: <øWÊKö > F8 57 CA 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002207CE1DC80, 16 bytes long.
Data: <ØWÊKö > D8 57 CA 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002207CE1E040, 16 bytes long.
Data: <P ÊKö > 50 04 CA 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002207CE1DFF0, 16 bytes long.
Data: <0 ÊKö > 30 04 CA 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002207CE1D7D0, 16 bytes long.
Data: <à ÊKö > E0 02 CA 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002207CE1DF50, 16 bytes long.
Data: < ÊKö > 10 04 CA 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002207CE1D1E0, 16 bytes long.
Data: <p ÊKö > 70 04 CA 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002207CE1D230, 16 bytes long.
Data: < ÀÈKö > 18 C0 C8 4B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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