Task 38581255

Name PFKFB3_A33_A37_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-0-5-RND3285_0
Workunit 31545781
Created 12 Dec 2025, 10:41:08 UTC
Sent 12 Dec 2025, 10:41:10 UTC
Report deadline 17 Dec 2025, 10:41:10 UTC
Received 12 Dec 2025, 11:17:35 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 632325
Run time 2 min 11 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 44,864.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 54.13 MB
Peak swap size 40.80 MB
Peak disk usage 2.82 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
19:14:34 (40636): wrapper (7.9.26016): starting
19:14:34 (40636): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A33_A37_0.pdb
QB_A33_A37_0.xml
QB_A33_A37_equil.pdb
QB_A33_A37.inpcrd
QB_A33_A37_input.yaml
QB_A33_A37_mdlambda.pdb
QB_A33_A37_min.pdb
QB_A33_A37_npt.pdb
QB_A33_A37.pdb
QB_A33_A37.prmtop
QB_A33_A37_sys.xml
QB_A33_A37_therm.pdb
run.bat
run.sh
19:14:37 (40636): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:14:37 (40636): 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 'E:\BOINC\shujv\slots\17\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: Exception:
Traceback (most recent call last):
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_vendor\urllib3\response.py", line 438, in _error_catcher
    yield
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_vendor\urllib3\response.py", line 561, in read
    data = self._fp_read(amt) if not fp_closed else b""
           ^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\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 "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_vendor\cachecontrol\filewrapper.py", line 98, in read
    data: bytes = self.__fp.read(amt)
                  ^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\http\client.py", line 473, in read
    s = self.fp.read(amt)
        ^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\socket.py", line 718, in readinto
    return self._sock.recv_into(b)
           ^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\ssl.py", line 1314, in recv_into
    return self.read(nbytes, buffer)
           ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\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 "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\cli\base_command.py", line 105, in _run_wrapper
    status = _inner_run()
             ^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\cli\base_command.py", line 96, in _inner_run
    return self.run(options, args)
           ^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\cli\req_command.py", line 67, in wrapper
    return func(self, options, args)
           ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\commands\install.py", line 379, in run
    requirement_set = resolver.resolve(
                      ^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\resolution\resolvelib\resolver.py", line 95, in resolve
    result = self._result = resolver.resolve(
                            ^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 546, in resolve
    state = resolution.resolve(requirements, max_rounds=max_rounds)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 397, in resolve
    self._add_to_criteria(self.state.criteria, r, parent=None)
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 173, in _add_to_criteria
    if not criterion.candidates:
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_vendor\resolvelib\structs.py", line 156, in __bool__
    return bool(self._sequence)
           ^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 174, in __bool__
    return any(self)
           ^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\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 "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 53, in _iter_built
    candidate = func()
                ^^^^^^
  File "E:\BOINC\shujv\slots\17\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 "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\resolution\resolvelib\factory.py", line 233, in _make_base_candidate_from_link
    self._link_candidate_cache[link] = LinkCandidate(
                                       ^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 304, in __init__
    super().__init__(
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 159, in __init__
    self.dist = self._prepare()
                ^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 236, in _prepare
    dist = self._prepare_distribution()
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\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 "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\operations\prepare.py", line 527, in prepare_linked_requirement
    return self._prepare_linked_requirement(req, parallel_builds)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\operations\prepare.py", line 598, in _prepare_linked_requirement
    local_file = unpack_url(
                 ^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\operations\prepare.py", line 170, in unpack_url
    file = get_http_url(
           ^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\operations\prepare.py", line 111, in get_http_url
    from_path, content_type = download(link, temp_dir.path)
                              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\network\download.py", line 148, in __call__
    for chunk in chunks:
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\cli\progress_bars.py", line 55, in _rich_progress_bar
    for chunk in iterable:
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_internal\network\utils.py", line 65, in response_chunks
    for chunk in response.raw.stream(
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_vendor\urllib3\response.py", line 622, in stream
    data = self.read(amt=amt, decode_content=decode_content)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\BOINC\shujv\slots\17\Lib\site-packages\pip\_vendor\urllib3\response.py", line 560, in read
    with self._error_catcher():
  File "E:\BOINC\shujv\slots\17\Lib\contextlib.py", line 158, in __exit__
    self.gen.throw(typ, value, traceback)
  File "E:\BOINC\shujv\slots\17\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.
python.exe: can't open file 'E:\\BOINC\\shujv\\slots\\17\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
19:15:44 (40636): C:/Windows/system32/cmd.exe exited; CPU time 2.156250
19:15:44 (40636): app exit status: 0x16
19:15:44 (40636): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 906127 bytes.
Dumping objects ->
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Object dump complete.

</stderr_txt>
]]>


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