Task 38579767
| Name | JNK1_A25_A38_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND8243_0 |
| Workunit | 31545082 |
| Created | 11 Dec 2025, 13:19:36 UTC |
| Sent | 11 Dec 2025, 13:19:39 UTC |
| Report deadline | 16 Dec 2025, 13:19:39 UTC |
| Received | 11 Dec 2025, 13:44:19 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 609638 |
| Run time | 14 min 18 sec |
| CPU time | 4 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,116.25 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 | 41.65 MB |
| Peak disk usage | 2.81 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
操作系统无法运行 (null)。
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
21:29:56 (19544): wrapper (7.9.26016): starting
21:29:56 (19544): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A38_0.pdb
QB_A25_A38_0.xml
QB_A25_A38_equil.pdb
QB_A25_A38.inpcrd
QB_A25_A38_input.yaml
QB_A25_A38_mdlambda.pdb
QB_A25_A38_min.pdb
QB_A25_A38_npt.pdb
QB_A25_A38_out_merged_nowater.pdb
QB_A25_A38.pdb
QB_A25_A38.prmtop
QB_A25_A38_sys.xml
QB_A25_A38_therm.pdb
run.bat
run.sh
21:30:01 (19544): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:30:01 (19544): 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:\ProgramData\BOINC\slots\4\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 git version
git version 2.47.0.windows.1
Running command git clone --filter=blob:none https://github.com/Acellera/atm.git 'E:\ProgramData\BOINC\slots\4\pip-req-build-cukb2y5j'
Cloning into 'E:\ProgramData\BOINC\slots\4\pip-req-build-cukb2y5j'...
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Running command git rev-parse HEAD
fb3bd66350c574830c3fc01598222448ed865c00
Running command git rev-parse HEAD
fb3bd66350c574830c3fc01598222448ed865c00
Running command pip subprocess to install build dependencies
Using pip 24.3.1 from E:\ProgramData\BOINC\slots\4\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)
ERROR: Exception:
Traceback (most recent call last):
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\urllib3\response.py", line 438, in _error_catcher
yield
File "E:\ProgramData\BOINC\slots\4\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:\ProgramData\BOINC\slots\4\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:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\cachecontrol\filewrapper.py", line 98, in read
data: bytes = self.__fp.read(amt)
^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\http\client.py", line 473, in read
s = self.fp.read(amt)
^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\socket.py", line 718, in readinto
return self._sock.recv_into(b)
^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\ssl.py", line 1314, in recv_into
return self.read(nbytes, buffer)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\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:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\cli\base_command.py", line 105, in _run_wrapper
status = _inner_run()
^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\cli\base_command.py", line 96, in _inner_run
return self.run(options, args)
^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\cli\req_command.py", line 67, in wrapper
return func(self, options, args)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\commands\install.py", line 379, in run
requirement_set = resolver.resolve(
^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\resolver.py", line 95, in resolve
result = self._result = resolver.resolve(
^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 546, in resolve
state = resolution.resolve(requirements, max_rounds=max_rounds)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 397, in resolve
self._add_to_criteria(self.state.criteria, r, parent=None)
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 173, in _add_to_criteria
if not criterion.candidates:
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\resolvelib\structs.py", line 156, in __bool__
return bool(self._sequence)
^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 174, in __bool__
return any(self)
^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\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:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 53, in _iter_built
candidate = func()
^^^^^^
File "E:\ProgramData\BOINC\slots\4\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:\ProgramData\BOINC\slots\4\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:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 304, in __init__
super().__init__(
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 159, in __init__
self.dist = self._prepare()
^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 236, in _prepare
dist = self._prepare_distribution()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\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:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\operations\prepare.py", line 521, in prepare_linked_requirement
metadata_dist = self._fetch_metadata_only(req)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\operations\prepare.py", line 373, in _fetch_metadata_only
return self._fetch_metadata_using_link_data_attr(
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\operations\prepare.py", line 393, in _fetch_metadata_using_link_data_attr
metadata_file = get_http_url(
^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\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:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\network\download.py", line 148, in __call__
for chunk in chunks:
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_internal\network\utils.py", line 65, in response_chunks
for chunk in response.raw.stream(
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\urllib3\response.py", line 622, in stream
data = self.read(amt=amt, decode_content=decode_content)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\_vendor\urllib3\response.py", line 560, in read
with self._error_catcher():
File "E:\ProgramData\BOINC\slots\4\Lib\contextlib.py", line 158, in __exit__
self.gen.throw(typ, value, traceback)
File "E:\ProgramData\BOINC\slots\4\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: 'E:\ProgramData\BOINC\slots\4\python.exe' 'E:\ProgramData\BOINC\slots\4\Lib\site-packages\pip\__pip-runner__.py' install --ignore-installed --no-user --prefix 'E:\ProgramData\BOINC\slots\4\pip-build-env-m5mx58gl\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 'E:\\ProgramData\\BOINC\\slots\\4\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
21:42:31 (19544): C:/Windows/system32/cmd.exe exited; CPU time 4.656250
21:42:31 (19544): app exit status: 0x16
21:42:31 (19544): 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: 8470763 bytes.
Dumping objects ->
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{54} normal block at 0x00000179932261D0, 16 bytes long.
Data: < %a > E0 02 25 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000017993226860, 16 bytes long.
Data: < %a > 10 04 25 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x00000179932264A0, 16 bytes long.
Data: <p %a > 70 04 25 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{51} normal block at 0x0000017993226C70, 16 bytes long.
Data: < #a > 18 C0 23 61 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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