Task 38615852
| Name | p38_2_A31_A33_r0_1-QUICO_ATM_OpenFF_NAGL_p38_2-0-6-RND2506_1 |
| Workunit | 31567979 |
| Created | 17 Apr 2026, 17:36:34 UTC |
| Sent | 17 Apr 2026, 17:41:15 UTC |
| Report deadline | 22 Apr 2026, 17:41:15 UTC |
| Received | 17 Apr 2026, 17:50:22 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 38 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 | 39.52 MB |
| Peak swap size | 27.23 MB |
| Peak disk usage | 2.03 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>
19:48:39 (19760): wrapper (7.9.26016): starting
19:48:39 (19760): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A33_0.pdb
QB_A31_A33_0.xml
QB_A31_A33.inpcrd
QB_A31_A33_input.yaml
QB_A31_A33.pdb
QB_A31_A33.prmtop
QB_A31_A33_sys.xml
run.bat
run.sh
19:48:43 (19760): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:48:43 (19760): 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-xonudacq\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
19:49:01 (19760): C:/Windows/system32/cmd.exe exited; CPU time 3.687500
19:49:01 (19760): app exit status: 0x16
19:49:01 (19760): 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: 493393 bytes.
Dumping objects ->
{3835237} normal block at 0x000001E5081700C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000001E5063772C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835215} normal block at 0x000001E506377330, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835204} normal block at 0x000001E506377100, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x000001E506377090, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835162} normal block at 0x000001E5081B9540, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835151} normal block at 0x000001E5063CF320, 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 0x000001E50636F840, 8 bytes long.
Data: < ò å > 00 00 F2 07 E5 01 00 00
{3834549} normal block at 0x000001E5063CFCE0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001E506370060, 8 bytes long.
Data: <pç å > 70 E7 0C 08 E5 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E506363A10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E506364680, 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 0x000001E506378390, 16 bytes long.
Data: < ‹7 å > 88 8B 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E506378340, 16 bytes long.
Data: <`‹7 å > 60 8B 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E506371AC0, 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 0x000001E506378480, 16 bytes long.
Data: <8‹7 å > 38 8B 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E5063782F0, 16 bytes long.
Data: < ‹7 å > 10 8B 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E5063779E0, 16 bytes long.
Data: <èŠ7 å > E8 8A 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E5063786B0, 16 bytes long.
Data: <ÀŠ7 å > C0 8A 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E506377410, 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 0x000001E506378250, 16 bytes long.
Data: < ·5 å > 98 B7 35 06 E5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E506371B20, 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 0x000001E506378160, 16 bytes long.
Data: <p·5 å > 70 B7 35 06 E5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E506378110, 16 bytes long.
Data: <H·5 å > 48 B7 35 06 E5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E506378020, 16 bytes long.
Data: < ·5 å > 20 B7 35 06 E5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E506377940, 16 bytes long.
Data: <ø¶5 å > F8 B6 35 06 E5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E506377F80, 16 bytes long.
Data: <ж5 å > D0 B6 35 06 E5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E506378200, 16 bytes long.
Data: <¨¶5 å > A8 B6 35 06 E5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E506372840, 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 0x000001E506377F30, 16 bytes long.
Data: < ¶5 å > 80 B6 35 06 E5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E50635B680, 320 bytes long.
Data: <0 7 å @(7 å > 30 7F 37 06 E5 01 00 00 40 28 37 06 E5 01 00 00
{274} normal block at 0x000001E506377E40, 16 bytes long.
Data: < Š7 å > A0 8A 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E5063781B0, 16 bytes long.
Data: <xŠ7 å > 78 8A 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E5063725A0, 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 0x000001E506377D50, 16 bytes long.
Data: <PŠ7 å > 50 8A 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E506372660, 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 0x000001E5063778F0, 16 bytes long.
Data: < ‰7 å > 98 89 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E506377AD0, 16 bytes long.
Data: <p‰7 å > 70 89 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E506377FD0, 16 bytes long.
Data: <H‰7 å > 48 89 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E506377990, 16 bytes long.
Data: < ‰7 å > 20 89 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E506377DF0, 16 bytes long.
Data: <ø 7 å > F8 88 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E5063780C0, 16 bytes long.
Data: <Ð 7 å > D0 88 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E506377BC0, 16 bytes long.
Data: <@v7 å > 40 76 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E506377640, 40 bytes long.
Data: <À{7 å @• å > C0 7B 37 06 E5 01 00 00 40 95 1B 08 E5 01 00 00
{260} normal block at 0x000001E506377D00, 16 bytes long.
Data: <° 7 å > B0 88 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E506377A30, 16 bytes long.
Data: < 7 å > 88 88 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E506371B80, 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 0x000001E506377EE0, 16 bytes long.
Data: <` 7 å > 60 88 37 06 E5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E506378860, 992 bytes long.
Data: <à~7 å 7 å > E0 7E 37 06 E5 01 00 00 80 1B 37 06 E5 01 00 00
{92} normal block at 0x000001E506372000, 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 0x000001E50636FD40, 16 bytes long.
Data: < 6 å > 00 17 36 06 E5 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001E506361700, 40 bytes long.
Data: <@ý6 å 7 å > 40 FD 36 06 E5 01 00 00 00 20 37 06 E5 01 00 00
{69} normal block at 0x000001E50636FFC0, 16 bytes long.
Data: < êv^ö > 80 EA 76 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E506370010, 16 bytes long.
Data: <@év^ö > 40 E9 76 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E50636F7F0, 16 bytes long.
Data: <øWs^ö > F8 57 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E50636F250, 16 bytes long.
Data: <ØWs^ö > D8 57 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E50636F8E0, 16 bytes long.
Data: <P s^ö > 50 04 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E50636F7A0, 16 bytes long.
Data: <0 s^ö > 30 04 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E50636FE80, 16 bytes long.
Data: <à s^ö > E0 02 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E50636F750, 16 bytes long.
Data: < s^ö > 10 04 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E50636F700, 16 bytes long.
Data: <p s^ö > 70 04 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E50636F430, 16 bytes long.
Data: < Àq^ö > 18 C0 71 5E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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