Task 38615570

Name p38_2_A27_A17_r0_2-QUICO_ATM_OpenFF_NAGL_p38_2-0-6-RND5791_0
Workunit 31567868
Created 17 Apr 2026, 16:52:04 UTC
Sent 17 Apr 2026, 17:32:37 UTC
Report deadline 22 Apr 2026, 17:32:37 UTC
Received 17 Apr 2026, 17:41:14 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 41 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 56.30 MB
Peak swap size 39.59 MB
Peak disk usage 1.52 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>
19:39:42 (4828): wrapper (7.9.26016): starting
19:39:42 (4828): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A17_0.pdb
QB_A27_A17_0.xml
QB_A27_A17.inpcrd
QB_A27_A17_input.yaml
QB_A27_A17.pdb
QB_A27_A17.prmtop
QB_A27_A17_sys.xml
run.bat
run.sh
19:39:44 (4828): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:39:44 (4828): 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 dost&#234;pu
  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 dost&#234;pu
  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-b712x64q\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
19:40:03 (4828): C:/Windows/system32/cmd.exe exited; CPU time 3.671875
19:40:03 (4828): app exit status: 0x16
19:40:03 (4828): 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: 487175 bytes.
Dumping objects ->
{3835237} normal block at 0x0000026C17EADE80, 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 0x0000026C162755B0, 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 0x0000026C16275540, 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 0x0000026C16275380, 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 0x0000026C16275A10, 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 0x0000026C17EF5FB0, 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 0x0000026C162CDDB0, 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 0x0000026C1626DA10, 8 bytes long.
 Data: <  ! l   > 00 00 21 16 6C 02 00 00 
{3834549} normal block at 0x0000026C162CE910, 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 0x0000026C1626DD80, 8 bytes long.
 Data: <&#224;&#217;% l   > E0 D9 25 16 6C 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026C16261190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026C16262070, 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 0x0000026C162761F0, 16 bytes long.
 Data: < r' l           > 08 72 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026C16276B00, 16 bytes long.
 Data: <&#224;q' l           > E0 71 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026C1626FC60, 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 0x0000026C16276E20, 16 bytes long.
 Data: <&#184;q' l           > B8 71 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026C162767E0, 16 bytes long.
 Data: < q' l           > 90 71 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026C16276D80, 16 bytes long.
 Data: <hq' l           > 68 71 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026C16276A10, 16 bytes long.
 Data: <@q' l           > 40 71 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026C16275770, 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 0x0000026C16276740, 16 bytes long.
 Data: <  & l           > 18 0A 26 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026C1626FC00, 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 0x0000026C16276560, 16 bytes long.
 Data: <&#240;	& l           > F0 09 26 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026C16276100, 16 bytes long.
 Data: <&#200;	& l           > C8 09 26 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026C162760B0, 16 bytes long.
 Data: <&#160;	& l           > A0 09 26 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026C162766F0, 16 bytes long.
 Data: <x	& l           > 78 09 26 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026C16276470, 16 bytes long.
 Data: <P	& l           > 50 09 26 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026C162764C0, 16 bytes long.
 Data: <(	& l           > 28 09 26 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026C16270740, 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 0x0000026C16276010, 16 bytes long.
 Data: < 	& l           > 00 09 26 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026C16260900, 320 bytes long.
 Data: < `' l   @ ' l   > 10 60 27 16 6C 02 00 00 40 07 27 16 6C 02 00 00 
{274} normal block at 0x0000026C162761A0, 16 bytes long.
 Data: < q' l           > 20 71 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026C162762E0, 16 bytes long.
 Data: <&#248;p' l           > F8 70 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026C162701A0, 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 0x0000026C16276290, 16 bytes long.
 Data: <&#208;p' l           > D0 70 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026C1626FBA0, 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 0x0000026C16275FC0, 16 bytes long.
 Data: < p' l           > 18 70 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026C16276AB0, 16 bytes long.
 Data: <&#240;o' l           > F0 6F 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026C162766A0, 16 bytes long.
 Data: <&#200;o' l           > C8 6F 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026C16276420, 16 bytes long.
 Data: <&#160;o' l           > A0 6F 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026C16276330, 16 bytes long.
 Data: <xo' l           > 78 6F 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026C16276650, 16 bytes long.
 Data: <Po' l           > 50 6F 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026C16276A60, 16 bytes long.
 Data: <&#240;S' l           > F0 53 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026C162753F0, 40 bytes long.
 Data: <`j' l   &#176;_&#239; l   > 60 6A 27 16 6C 02 00 00 B0 5F EF 17 6C 02 00 00 
{260} normal block at 0x0000026C16276060, 16 bytes long.
 Data: <0o' l           > 30 6F 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026C16276880, 16 bytes long.
 Data: < o' l           > 08 6F 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026C1626FEA0, 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 0x0000026C16276CE0, 16 bytes long.
 Data: <&#224;n' l           > E0 6E 27 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026C16276EE0, 992 bytes long.
 Data: <&#224;l' l   &#160;&#254;& l   > E0 6C 27 16 6C 02 00 00 A0 FE 26 16 6C 02 00 00 
{92} normal block at 0x0000026C162707A0, 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 0x0000026C1626D920, 16 bytes long.
 Data: < &#223;% l           > 10 DF 25 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000026C1625DF10, 40 bytes long.
 Data: < &#217;& l   &#160; ' l   > 20 D9 26 16 6C 02 00 00 A0 07 27 16 6C 02 00 00 
{69} normal block at 0x0000026C1626DB50, 16 bytes long.
 Data: < &#234;v^&#246;           > 80 EA 76 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026C1626E280, 16 bytes long.
 Data: <@&#233;v^&#246;           > 40 E9 76 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026C1626D8D0, 16 bytes long.
 Data: <&#248;Ws^&#246;           > F8 57 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026C1626E190, 16 bytes long.
 Data: <&#216;Ws^&#246;           > D8 57 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026C1626DB00, 16 bytes long.
 Data: <P s^&#246;           > 50 04 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026C1626D790, 16 bytes long.
 Data: <0 s^&#246;           > 30 04 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026C1626E320, 16 bytes long.
 Data: <&#224; s^&#246;           > E0 02 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026C1626DA60, 16 bytes long.
 Data: <  s^&#246;           > 10 04 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026C1626E000, 16 bytes long.
 Data: <p s^&#246;           > 70 04 73 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026C1626D830, 16 bytes long.
 Data: < &#192;q^&#246;           > 18 C0 71 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra