Task 38581530

Name HIF2A_A36_A09_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND0265_0
Workunit 31546050
Created 12 Dec 2025, 10:51:17 UTC
Sent 12 Dec 2025, 10:51:48 UTC
Report deadline 17 Dec 2025, 10:51:48 UTC
Received 13 Dec 2025, 19:09:00 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 646147
Run time 8 min 38 sec
CPU time 16 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,602.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 54.67 MB
Peak swap size 41.21 MB
Peak disk usage 2.77 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
���ϵͳ�޷����� (null)��
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
03:01:39 (3064): wrapper (7.9.26016): starting
03:01:39 (3064): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A36_A09_0.pdb
QB_A36_A09_0.xml
QB_A36_A09_equil.pdb
QB_A36_A09.inpcrd
QB_A36_A09_input.yaml
QB_A36_A09_mdlambda.pdb
QB_A36_A09_min.pdb
QB_A36_A09_npt.pdb
QB_A36_A09.pdb
QB_A36_A09.prmtop
QB_A36_A09_sys.xml
QB_A36_A09_therm.pdb
run.bat
run.sh
03:01:41 (3064): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:01:41 (3064): 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\28\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.
  Running command pip subprocess to install build dependencies
  Using pip 24.3.1 from C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip (python 3.11)
  Collecting setuptools
    Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
    Downloading setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB)
  Collecting setuptools-scm>=8
    Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
    Downloading setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
  Collecting packaging>=20 (from setuptools-scm>=8)
    Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
    Downloading packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
  Downloading setuptools-80.9.0-py3-none-any.whl (1.2 MB)
     ---------------------------------------- 1.2/1.2 MB 7.8 kB/s eta 0:00:00
  Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
  Downloading packaging-25.0-py3-none-any.whl (66 kB)
  ERROR: Exception:
  Traceback (most recent call last):
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_vendor\urllib3\response.py", line 438, in _error_catcher
      yield
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_vendor\urllib3\response.py", line 561, in read
      data = self._fp_read(amt) if not fp_closed else b""
             ^^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_vendor\urllib3\response.py", line 527, in _fp_read
      return self._fp.read(amt) if amt is not None else self._fp.read()
             ^^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_vendor\cachecontrol\filewrapper.py", line 98, in read
      data: bytes = self.__fp.read(amt)
                    ^^^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\http\client.py", line 473, in read
      s = self.fp.read(amt)
          ^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\socket.py", line 718, in readinto
      return self._sock.recv_into(b)
             ^^^^^^^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\ssl.py", line 1314, in recv_into
      return self.read(nbytes, buffer)
             ^^^^^^^^^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\ssl.py", line 1166, in read
      return self._sslobj.read(len, buffer)
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  TimeoutError: The read operation timed out

  During handling of the above exception, another exception occurred:

  Traceback (most recent call last):
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_internal\cli\base_command.py", line 105, in _run_wrapper
      status = _inner_run()
               ^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_internal\cli\base_command.py", line 96, in _inner_run
      return self.run(options, args)
             ^^^^^^^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_internal\cli\req_command.py", line 67, in wrapper
      return func(self, options, args)
             ^^^^^^^^^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_internal\commands\install.py", line 379, in run
      requirement_set = resolver.resolve(
                        ^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\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\28\Lib\site-packages\pip\_internal\operations\prepare.py", line 554, in prepare_linked_requirements_more
      self._complete_partial_requirements(
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_internal\operations\prepare.py", line 469, in _complete_partial_requirements
      for link, (filepath, _) in batch_download:
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_internal\network\download.py", line 184, in __call__
      for chunk in chunks:
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_internal\network\utils.py", line 65, in response_chunks
      for chunk in response.raw.stream(
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_vendor\urllib3\response.py", line 622, in stream
      data = self.read(amt=amt, decode_content=decode_content)
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_vendor\urllib3\response.py", line 560, in read
      with self._error_catcher():
    File "C:\ProgramData\BOINC\slots\28\Lib\contextlib.py", line 158, in __exit__
      self.gen.throw(typ, value, traceback)
    File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\_vendor\urllib3\response.py", line 443, in _error_catcher
      raise ReadTimeoutError(self._pool, None, "Read timed out.")
  pip._vendor.urllib3.exceptions.ReadTimeoutError: HTTPSConnectionPool(host='files.pythonhosted.org', port=443): Read timed out.
  error: subprocess-exited-with-error
  
  pip subprocess to install build dependencies did not run successfully.
  exit code: 2
  
  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\28\python.exe' 'C:\ProgramData\BOINC\slots\28\Lib\site-packages\pip\__pip-runner__.py' install --ignore-installed --no-user --prefix 'C:\ProgramData\BOINC\slots\28\pip-build-env-u5xpnjd5\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: 2

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\\28\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
03:07:37 (3064): C:/Windows/system32/cmd.exe exited; CPU time 16.718750
03:07:37 (3064): app exit status: 0x16
03:07:37 (3064): 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: 5419453 bytes.
Dumping objects ->
{3835283} normal block at 0x000001C4E2011250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835272} normal block at 0x000001C4E20111E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x000001C4E2010C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835250} normal block at 0x000001C4E2010B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001C4E2010E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835208} normal block at 0x000001C4E20BFBF0, 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) : {3835195} normal block at 0x000001C4E002C630, 8 bytes long.
 Data: <        > 00 00 00 E0 C4 01 00 00 
{3834053} normal block at 0x000001C4E002BAA0, 8 bytes long.
 Data: <`       > 60 E9 01 E2 C4 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C4E0035F60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C4E001BBB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C4E0037C20, 16 bytes long.
 Data: <                > D8 82 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C4E00372C0, 16 bytes long.
 Data: <                > B0 82 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C4E00335B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C4E0037220, 16 bytes long.
 Data: <                > 88 82 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C4E0037810, 16 bytes long.
 Data: <`               > 60 82 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C4E00371D0, 16 bytes long.
 Data: <8               > 38 82 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C4E0037630, 16 bytes long.
 Data: <                > 10 82 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C4E0031610, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C4E0037B80, 16 bytes long.
 Data: <                > 08 1F 02 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C4E0032D70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C4E00377C0, 16 bytes long.
 Data: <                > E0 1E 02 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C4E0037180, 16 bytes long.
 Data: <                > B8 1E 02 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C4E0037A90, 16 bytes long.
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{281} normal block at 0x000001C4E0037130, 16 bytes long.
 Data: <h               > 68 1E 02 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C4E0037EA0, 16 bytes long.
 Data: <@               > 40 1E 02 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C4E0037B30, 16 bytes long.
 Data: <                > 18 1E 02 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C4E0033370, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C4E00370E0, 16 bytes long.
 Data: <                > F0 1D 02 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C4E0021DF0, 320 bytes long.
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{275} normal block at 0x000001C4E0037F40, 16 bytes long.
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{274} normal block at 0x000001C4E0037950, 16 bytes long.
 Data: <                > C8 81 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C4E0032D10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C4E0037CC0, 16 bytes long.
 Data: <                > A0 81 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C4E00330D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C4E0037A40, 16 bytes long.
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{269} normal block at 0x000001C4E0037720, 16 bytes long.
 Data: <                > C0 80 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C4E0037270, 16 bytes long.
 Data: <                > 98 80 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C4E0037400, 16 bytes long.
 Data: <p               > 70 80 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C4E0037E50, 16 bytes long.
 Data: <H               > 48 80 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C4E0037E00, 16 bytes long.
 Data: <                > 20 80 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C4E0037BD0, 16 bytes long.
 Data: <                > 00 13 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C4E0031300, 40 bytes long.
 Data: < {              > D0 7B 03 E0 C4 01 00 00 F0 FB 0B E2 C4 01 00 00 
{261} normal block at 0x000001C4E0037DB0, 16 bytes long.
 Data: <                > 00 80 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C4E0037310, 16 bytes long.
 Data: <                > D8 7F 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C4E0033310, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C4E0037AE0, 16 bytes long.
 Data: <                > B0 7F 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C4E0037FB0, 992 bytes long.
 Data: < z       3      > E0 7A 03 E0 C4 01 00 00 10 33 03 E0 C4 01 00 00 
{93} normal block at 0x000001C4E0033B50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C4E002C6D0, 16 bytes long.
 Data: <                > 90 12 03 E0 C4 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C4E0031290, 40 bytes long.
 Data: <        P;      > D0 C6 02 E0 C4 01 00 00 50 3B 03 E0 C4 01 00 00 
{68} normal block at 0x000001C4E002BF00, 16 bytes long.
 Data: <                > 80 EA 18 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C4E002C5E0, 16 bytes long.
 Data: <@               > 40 E9 18 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C4E002C950, 16 bytes long.
 Data: < W              > F8 57 15 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C4E002C090, 16 bytes long.
 Data: < W              > D8 57 15 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C4E002C360, 16 bytes long.
 Data: <P               > 50 04 15 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C4E002C7C0, 16 bytes long.
 Data: <0               > 30 04 15 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C4E002C900, 16 bytes long.
 Data: <                > E0 02 15 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C4E002C270, 16 bytes long.
 Data: <                > 10 04 15 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C4E002BD20, 16 bytes long.
 Data: <p               > 70 04 15 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C4E002C1D0, 16 bytes long.
 Data: <                > 18 C0 13 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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