Task 38619192
| Name | p38_2_A27_A09_r0_2-QUICO_ATM_OpenFF_NAGL_p38_2-1-6-RND1920_1 |
| Workunit | 31569442 |
| Created | 18 Apr 2026, 19:34:46 UTC |
| Sent | 18 Apr 2026, 19:35:11 UTC |
| Report deadline | 23 Apr 2026, 19:35:11 UTC |
| Received | 18 Apr 2026, 19:40:30 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 599714 |
| Run time | 3 min 41 sec |
| CPU time | 9 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 | 52.93 MB |
| Peak swap size | 37.09 MB |
| Peak disk usage | 4.06 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>
21:37:43 (23944): wrapper (7.9.26016): starting
21:37:43 (23944): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A09_0.pdb
QB_A27_A09_0.xml
QB_A27_A09.inpcrd
QB_A27_A09_input.yaml
QB_A27_A09.pdb
QB_A27_A09.prmtop
QB_A27_A09_sys.xml
run.bat
run.sh
21:37:49 (23944): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:37:49 (23944): 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-xj4oyb6o\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
21:39:17 (23944): C:/Windows/system32/cmd.exe exited; CPU time 9.875000
21:39:17 (23944): app exit status: 0x16
21:39:17 (23944): 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: 1656763 bytes.
Dumping objects ->
{3835233} normal block at 0x000001CC5CBA6D60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000001CC5CBA6B30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x000001CC5CBA6A50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835200} normal block at 0x000001CC5CBA6DD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835189} normal block at 0x000001CC5CBA6890, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835158} normal block at 0x000001CC5EA69BB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835147} normal block at 0x000001CC5CBFD960, 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) : {3835144} normal block at 0x000001CC5CB9DB50, 8 bytes long.
Data: < ]Ì > 00 00 0A 5D CC 01 00 00
{3834545} normal block at 0x000001CC5CBFDB00, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x000001CC5CB9D790, 8 bytes long.
Data: < ¼\Ì > 90 A2 BC 5C CC 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001CC5CB91840, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CC5CB91D60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001CC5CBA5D80, 16 bytes long.
Data: <Hgº\Ì > 48 67 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CC5CBA5A60, 16 bytes long.
Data: < gº\Ì > 20 67 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CC5CBA04F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001CC5CBA5510, 16 bytes long.
Data: <øfº\Ì > F8 66 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CC5CBA5060, 16 bytes long.
Data: <Ðfº\Ì > D0 66 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CC5CBA5FB0, 16 bytes long.
Data: <¨fº\Ì > A8 66 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CC5CBA5EC0, 16 bytes long.
Data: < fº\Ì > 80 66 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CC5CBA6BA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001CC5CBA5D30, 16 bytes long.
Data: <Xæ¸\Ì > 58 E6 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CC5CB9FE90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001CC5CBA5420, 16 bytes long.
Data: <0æ¸\Ì > 30 E6 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CC5CBA5650, 16 bytes long.
Data: < æ¸\Ì > 08 E6 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CC5CBA58D0, 16 bytes long.
Data: <àå¸\Ì > E0 E5 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CC5CBA5C40, 16 bytes long.
Data: <¸å¸\Ì > B8 E5 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CC5CBA5470, 16 bytes long.
Data: < å¸\Ì > 90 E5 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CC5CBA52E0, 16 bytes long.
Data: <hå¸\Ì > 68 E5 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CC5CB9F830, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001CC5CBA51A0, 16 bytes long.
Data: <@å¸\Ì > 40 E5 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CC5CB8E540, 320 bytes long.
Data: < Qº\Ì 0ø¹\Ì > A0 51 BA 5C CC 01 00 00 30 F8 B9 5C CC 01 00 00
{272} normal block at 0x000001CC5CBA5AB0, 16 bytes long.
Data: <`fº\Ì > 60 66 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CC5CBA5600, 16 bytes long.
Data: <8fº\Ì > 38 66 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CC5CB9FD70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001CC5CBA5290, 16 bytes long.
Data: < fº\Ì > 10 66 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CC5CBA0070, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001CC5CBA54C0, 16 bytes long.
Data: <Xeº\Ì > 58 65 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CC5CBA5C90, 16 bytes long.
Data: <0eº\Ì > 30 65 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CC5CBA5380, 16 bytes long.
Data: < eº\Ì > 08 65 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CC5CBA55B0, 16 bytes long.
Data: <àdº\Ì > E0 64 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CC5CBA5E20, 16 bytes long.
Data: <¸dº\Ì > B8 64 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CC5CBA5F60, 16 bytes long.
Data: < dº\Ì > 90 64 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CC5CBA5240, 16 bytes long.
Data: <@и\Ì > 40 D0 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CC5CB8D040, 40 bytes long.
Data: <@Rº\Ì °›¦^Ì > 40 52 BA 5C CC 01 00 00 B0 9B A6 5E CC 01 00 00
{258} normal block at 0x000001CC5CBA5E70, 16 bytes long.
Data: <pdº\Ì > 70 64 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CC5CBA51F0, 16 bytes long.
Data: <Hdº\Ì > 48 64 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001CC5CBA0430, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001CC5CBA5920, 16 bytes long.
Data: < dº\Ì > 20 64 BA 5C CC 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001CC5CBA6420, 992 bytes long.
Data: < Yº\Ì 0 º\Ì > 20 59 BA 5C CC 01 00 00 30 04 BA 5C CC 01 00 00
{90} normal block at 0x000001CC5CBA01F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001CC5CB9DB00, 16 bytes long.
Data: <Pĸ\Ì > 50 C4 B8 5C CC 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001CC5CB8C450, 40 bytes long.
Data: < Û¹\Ì ð º\Ì > 00 DB B9 5C CC 01 00 00 F0 01 BA 5C CC 01 00 00
{67} normal block at 0x000001CC5CB9D470, 16 bytes long.
Data: < ê7C÷ > 80 EA 37 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CC5CB9E2D0, 16 bytes long.
Data: <@é7C÷ > 40 E9 37 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CC5CB9D510, 16 bytes long.
Data: <øW4C÷ > F8 57 34 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CC5CB9D600, 16 bytes long.
Data: <ØW4C÷ > D8 57 34 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CC5CB9E230, 16 bytes long.
Data: <P 4C÷ > 50 04 34 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CC5CB9E370, 16 bytes long.
Data: <0 4C÷ > 30 04 34 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CC5CB9DFB0, 16 bytes long.
Data: <à 4C÷ > E0 02 34 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CC5CB9DF60, 16 bytes long.
Data: < 4C÷ > 10 04 34 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CC5CB9DE70, 16 bytes long.
Data: <p 4C÷ > 70 04 34 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001CC5CB9DE20, 16 bytes long.
Data: < À2C÷ > 18 C0 32 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra