Task 38580619
| Name | JNK1_A25_A38_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-0-5-RND3194_0 |
| Workunit | 31545352 |
| Created | 11 Dec 2025, 16:11:09 UTC |
| Sent | 11 Dec 2025, 16:11:11 UTC |
| Report deadline | 16 Dec 2025, 16:11:11 UTC |
| Received | 11 Dec 2025, 16:14:27 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 612458 |
| Run time | 1 min 24 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,032.81 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 51.09 MB |
| Peak swap size | 36.16 MB |
| Peak disk usage | 1.52 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
- exit code 195 (0xc3)</message>
<stderr_txt>
00:12:22 (44532): wrapper (7.9.26016): starting
00:12:22 (44532): 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
00:12:23 (44532): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:12:23 (44532): 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\0\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.
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000021851C13810>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /packages/c7/6c/428c10ea9d983bf224bccf8a4561591392e1aacfac8b8f869693b0261b56/atom_openmm-8.4.0.tar.gz
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000021851C1C190>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /packages/c7/6c/428c10ea9d983bf224bccf8a4561591392e1aacfac8b8f869693b0261b56/atom_openmm-8.4.0.tar.gz
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000021851C1C690>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /packages/c7/6c/428c10ea9d983bf224bccf8a4561591392e1aacfac8b8f869693b0261b56/atom_openmm-8.4.0.tar.gz
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000021851C1D150>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /packages/c7/6c/428c10ea9d983bf224bccf8a4561591392e1aacfac8b8f869693b0261b56/atom_openmm-8.4.0.tar.gz
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000021851C1DAD0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /packages/c7/6c/428c10ea9d983bf224bccf8a4561591392e1aacfac8b8f869693b0261b56/atom_openmm-8.4.0.tar.gz
ERROR: Could not install packages due to an OSError.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connection.py", line 174, in _new_conn
conn = connection.create_connection(
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\util\connection.py", line 72, in create_connection
for res in socket.getaddrinfo(host, port, family, socket.SOCK_STREAM):
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\socket.py", line 974, in getaddrinfo
for res in _socket.getaddrinfo(host, port, family, type, proto, flags):
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
socket.gaierror: [Errno 11001] getaddrinfo failed
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connectionpool.py", line 716, in urlopen
httplib_response = self._make_request(
^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connectionpool.py", line 404, in _make_request
self._validate_conn(conn)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connectionpool.py", line 1061, in _validate_conn
conn.connect()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connection.py", line 363, in connect
self.sock = conn = self._new_conn()
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connection.py", line 186, in _new_conn
raise NewConnectionError(
pip._vendor.urllib3.exceptions.NewConnectionError: <pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000021851C1E310>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\requests\adapters.py", line 667, in send
resp = conn.urlopen(
^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connectionpool.py", line 830, in urlopen
return self.urlopen(
^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connectionpool.py", line 830, in urlopen
return self.urlopen(
^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connectionpool.py", line 830, in urlopen
return self.urlopen(
^^^^^^^^^^^^^
[Previous line repeated 2 more times]
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\connectionpool.py", line 802, in urlopen
retries = retries.increment(
^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\urllib3\util\retry.py", line 594, in increment
raise MaxRetryError(_pool, url, error or ResponseError(cause))
pip._vendor.urllib3.exceptions.MaxRetryError: HTTPSConnectionPool(host='files.pythonhosted.org', port=443): Max retries exceeded with url: /packages/c7/6c/428c10ea9d983bf224bccf8a4561591392e1aacfac8b8f869693b0261b56/atom_openmm-8.4.0.tar.gz (Caused by NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000021851C1E310>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed'))
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\commands\install.py", line 379, in run
requirement_set = resolver.resolve(
^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\resolution\resolvelib\resolver.py", line 95, in resolve
result = self._result = resolver.resolve(
^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 546, in resolve
state = resolution.resolve(requirements, max_rounds=max_rounds)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 397, in resolve
self._add_to_criteria(self.state.criteria, r, parent=None)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\resolvelib\resolvers.py", line 173, in _add_to_criteria
if not criterion.candidates:
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\resolvelib\structs.py", line 156, in __bool__
return bool(self._sequence)
^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 174, in __bool__
return any(self)
^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\resolution\resolvelib\found_candidates.py", line 53, in _iter_built
candidate = func()
^^^^^^
File "C:\ProgramData\BOINC\slots\0\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\resolution\resolvelib\factory.py", line 233, in _make_base_candidate_from_link
self._link_candidate_cache[link] = LinkCandidate(
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 304, in __init__
super().__init__(
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 159, in __init__
self.dist = self._prepare()
^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\resolution\resolvelib\candidates.py", line 236, in _prepare
dist = self._prepare_distribution()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\operations\prepare.py", line 527, in prepare_linked_requirement
return self._prepare_linked_requirement(req, parallel_builds)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\operations\prepare.py", line 598, in _prepare_linked_requirement
local_file = unpack_url(
^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\operations\prepare.py", line 170, in unpack_url
file = get_http_url(
^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\operations\prepare.py", line 111, in get_http_url
from_path, content_type = download(link, temp_dir.path)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\network\download.py", line 135, in __call__
resp = _http_get_download(self._session, link)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\network\download.py", line 118, in _http_get_download
resp = session.get(target_url, headers=HEADERS, stream=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\requests\sessions.py", line 602, in get
return self.request("GET", url, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_internal\network\session.py", line 522, in request
return super().request(method, url, *args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\requests\sessions.py", line 589, in request
resp = self.send(prep, **send_kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\requests\sessions.py", line 703, in send
r = adapter.send(request, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\cachecontrol\adapter.py", line 76, in send
resp = super().send(request, stream, timeout, verify, cert, proxies)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip\_vendor\requests\adapters.py", line 700, in send
raise ConnectionError(e, request=request)
pip._vendor.requests.exceptions.ConnectionError: HTTPSConnectionPool(host='files.pythonhosted.org', port=443): Max retries exceeded with url: /packages/c7/6c/428c10ea9d983bf224bccf8a4561591392e1aacfac8b8f869693b0261b56/atom_openmm-8.4.0.tar.gz (Caused by NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000021851C1E310>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed'))
python.exe: can't open file 'C:\\ProgramData\\BOINC\\slots\\0\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
00:12:56 (44532): C:/Windows/system32/cmd.exe exited; CPU time 1.250000
00:12:56 (44532): app exit status: 0x16
00:12:56 (44532): 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: 517615 bytes.
Dumping objects ->
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Object dump complete.
</stderr_txt>
]]>
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