Task 38628133
| Name | cdk8_A11_A26_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-1-6-RND2612_0 |
| Workunit | 31577838 |
| Created | 24 Apr 2026, 16:11:51 UTC |
| Sent | 24 Apr 2026, 16:12:03 UTC |
| Report deadline | 29 Apr 2026, 16:12:03 UTC |
| Received | 24 Apr 2026, 18:14:14 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 647492 |
| Run time | 4 min 23 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 | 39.74 MB |
| Peak swap size | 29.72 MB |
| Peak disk usage | 2.86 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>
20:10:07 (39952): wrapper (7.9.26016): starting
20:10:07 (39952): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A26_0.pdb
QB_A11_A26_0.xml
QB_A11_A26.inpcrd
QB_A11_A26_input.yaml
QB_A11_A26.pdb
QB_A11_A26.prmtop
QB_A11_A26_sys.xml
run.bat
run.sh
20:10:23 (39952): Library/usr/bin/tar.exe exited; CPU time 0.812500
20:10:23 (39952): 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
20:12:56 (39952): C:/Windows/system32/cmd.exe exited; CPU time 4.375000
20:12:56 (39952): app exit status: 0x16
20:12:56 (39952): 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: 2768543 bytes.
Dumping objects ->
{3835247} normal block at 0x0000015ABA54ECA0, 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 0x0000015ABA54F4F0, 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 0x0000015ABA54F640, 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 0x0000015ABA54F3A0, 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 0x0000015AB8767320, 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 0x0000015ABA598850, 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 0x0000015AB875DAF0, 8 bytes long.
Data: < q¸Z > 00 00 71 B8 5A 01 00 00
{3833957} normal block at 0x0000015AB875D960, 8 bytes long.
Data: < Út¸Z > 90 DA 74 B8 5A 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000015AB8751280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000015AB8751B00, 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 0x0000015AB8767800, 16 bytes long.
Data: <¨ v¸Z > A8 05 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015AB8768200, 16 bytes long.
Data: < v¸Z > 80 05 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000015AB87610A0, 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 0x0000015AB87681B0, 16 bytes long.
Data: <X v¸Z > 58 05 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015AB8767BC0, 16 bytes long.
Data: <0 v¸Z > 30 05 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015AB8768160, 16 bytes long.
Data: < v¸Z > 08 05 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015AB8768610, 16 bytes long.
Data: <à v¸Z > E0 04 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015AB87676A0, 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 0x0000015AB8767990, 16 bytes long.
Data: < ýt¸Z > 08 FD 74 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015AB8760E60, 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 0x0000015AB87684D0, 16 bytes long.
Data: <àüt¸Z > E0 FC 74 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015AB87685C0, 16 bytes long.
Data: <¸üt¸Z > B8 FC 74 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015AB8768110, 16 bytes long.
Data: < üt¸Z > 90 FC 74 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015AB87677B0, 16 bytes long.
Data: <hüt¸Z > 68 FC 74 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000015AB8767940, 16 bytes long.
Data: <@üt¸Z > 40 FC 74 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015AB87682F0, 16 bytes long.
Data: < üt¸Z > 18 FC 74 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015AB8761880, 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 0x0000015AB8767C60, 16 bytes long.
Data: <ðût¸Z > F0 FB 74 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015AB874FBF0, 320 bytes long.
Data: <`|v¸Z v¸Z > 60 7C 76 B8 5A 01 00 00 80 18 76 B8 5A 01 00 00
{274} normal block at 0x0000015AB8768570, 16 bytes long.
Data: <À v¸Z > C0 04 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015AB87682A0, 16 bytes long.
Data: < v¸Z > 98 04 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015AB8760FE0, 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 0x0000015AB8767C10, 16 bytes long.
Data: <p v¸Z > 70 04 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015AB8760F80, 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 0x0000015AB8767DF0, 16 bytes long.
Data: <¸ v¸Z > B8 03 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015AB8767E90, 16 bytes long.
Data: < v¸Z > 90 03 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015AB8767CB0, 16 bytes long.
Data: <h v¸Z > 68 03 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015AB87678A0, 16 bytes long.
Data: <@ v¸Z > 40 03 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015AB8767FD0, 16 bytes long.
Data: < v¸Z > 18 03 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015AB8768390, 16 bytes long.
Data: <ð v¸Z > F0 02 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015AB87678F0, 16 bytes long.
Data: <ptv¸Z > 70 74 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015AB8767470, 40 bytes long.
Data: <ðxv¸Z P YºZ > F0 78 76 B8 5A 01 00 00 50 88 59 BA 5A 01 00 00
{260} normal block at 0x0000015AB8767D00, 16 bytes long.
Data: <Ð v¸Z > D0 02 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015AB8768070, 16 bytes long.
Data: <¨ v¸Z > A8 02 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000015AB8761700, 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 0x0000015AB87683E0, 16 bytes long.
Data: < v¸Z > 80 02 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000015AB8760280, 992 bytes long.
Data: <àƒv¸Z v¸Z > E0 83 76 B8 5A 01 00 00 00 17 76 B8 5A 01 00 00
{92} normal block at 0x0000015AB8760BC0, 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 0x0000015AB875DF00, 16 bytes long.
Data: < sv¸Z > 90 73 76 B8 5A 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000015AB8767390, 40 bytes long.
Data: < ßu¸Z À v¸Z > 00 DF 75 B8 5A 01 00 00 C0 0B 76 B8 5A 01 00 00
{69} normal block at 0x0000015AB875D870, 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 0x0000015AB875DB40, 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 0x0000015AB875D9B0, 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 0x0000015AB875D910, 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 0x0000015AB875D820, 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 0x0000015AB875DEB0, 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 0x0000015AB875D7D0, 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 0x0000015AB875DA50, 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 0x0000015AB875D640, 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 0x0000015AB875DC30, 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>
]]>
©2026 Universitat Pompeu Fabra