search

openforcefield / qca-dataset-submission

Data generation and submission scripts for the QCArchive ecosystem.
Other
32 stars 6 forks source link

OpenFF Sulfur Hessian Training Coverage Supplement v1.0 #384

Closed ntBre closed 2 months ago

ntBre commented 2 months ago

This is a single-point dataset for computing Hessians at the final structures from #378.

New Submission Checklist

openff-dangerbot commented 2 months ago

QCSubmit Validation Report

submissions/2024-09-18-OpenFF-Sulfur-Hessian-Training-Coverage-Supplement-v1.0/dataset.json.bz2
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type DataSet
Elements O ,S ,C ,Cl ,P ,N ,F ,Br ,H
Valid Cmiles :fire:
Connected Dihedrals :fire:
No Linear Torsions :fire:
No Molecular Complexes :fire:
Valid Constraints :fire:
Complete Metatdata :fire:

QC Specification Report

submissions/2024-09-18-OpenFF-Sulfur-Hessian-Training-Coverage-Supplement-v1.0/dataset.json.bz2/default
Specification Name default
Method B3LYP-D3BJ
Basis DZVP
Wavefunction Protocol none
Implicit Solvent
Keywords {}
Validated :fire:
Valid SCF Properties :fire:
Full Basis Coverage :fire:
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.4 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 2 months ago

QCSubmit Validation Report

submissions/2024-09-18-OpenFF-Sulfur-Hessian-Training-Coverage-Supplement-v1.0/dataset.json.bz2
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type DataSet
Elements Cl ,S ,C ,P ,H ,N ,O ,F ,Br
Valid Cmiles :fire:
Connected Dihedrals :fire:
No Linear Torsions :fire:
No Molecular Complexes :fire:
Valid Constraints :fire:
Complete Metatdata :fire:

QC Specification Report

submissions/2024-09-18-OpenFF-Sulfur-Hessian-Training-Coverage-Supplement-v1.0/dataset.json.bz2/default
Specification Name default
Method B3LYP-D3BJ
Basis DZVP
Wavefunction Protocol none
Implicit Solvent
Keywords {}
Validated :fire:
Valid SCF Properties :fire:
Full Basis Coverage :fire:
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.4 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
j-wags commented 2 months ago

This was failing to be processed in our machinery (log excerpt below). Same with #383. I think there's a problem with the dataset names not matching somewhere - Maybe try fixing and move back to error cycling?

...
Processing PR #385
Setting computetag to 'pyddx'
Processing dataset 'submissions/2024-09-18-OpenFF-NAGL2-ESP-Timing-Benchmark-v1.1/dataset.json.bz2'
Processing PR #384
Setting computetag to 'openff'
Processing PR #383
Setting computetag to 'openff'
Processing dataset 'submissions/2024-09-13-OpenFF-Sulfur-Optimization-Benchmarking-Coverage-Supplement-v1.0/dataset.json.bz2'
    main()
  File "/home/runner/work/qca-dataset-submission/qca-dataset-submission/./management/lifecycle.py", line 1000, in main
    submission.execute_state(board=board,
  File "/home/runner/work/qca-dataset-submission/qca-dataset-submission/./management/lifecycle.py", line 171, in execute_state
    return self.execute_errorcycle(pr_card, pr_state,
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/runner/work/qca-dataset-submission/qca-dataset-submission/./management/lifecycle.py", line 265, in execute_errorcycle
    results.append(ds.execute_errorcycle(reset_errors=reset_errors,
                   ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/runner/work/qca-dataset-submission/qca-dataset-submission/./management/lifecycle.py", line 487, in execute_errorcycle
    ds = client.get_dataset(dataset_type, dataset_name)
         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/runner/micromamba/envs/error-cycle/lib/python3.11/site-packages/qcportal/client.py", line 233, in get_dataset
    ds = self.make_request("post", f"api/v1/datasets/query", Dict[str, Any], body=body)
         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/runner/micromamba/envs/error-cycle/lib/python3.11/site-packages/qcportal/client_base.py", line 416, in make_request
    r = self._request(
        ^^^^^^^^^^^^^^
  File "/home/runner/micromamba/envs/error-cycle/lib/python3.11/site-packages/qcportal/client_base.py", line 381, in _request
    raise PortalRequestError(f"Request failed: {details['msg']}", r.status_code, details)
qcportal.client_base.PortalRequestError: Request failed: Could not find optimization dataset with name 'OpenFF Sulfur Optimization Benchmarking Coverage Supplement v1.0' (HTTP status 400)
openff-dangerbot commented 2 months ago

Lifecycle - QCSubmit Submission Report : SUCCESS
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-23 19:42 UTC

Response from public QCArchive:

None
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 2 months ago

Current status - Error Cycling

Consider manually moving this.

openff-dangerbot commented 2 months ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-23 19:45 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 0 0 899 0 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-24 04:15 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 36 43 503 317 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpzx5ppsh9' ids : {138432671} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpzt499faa' ids : {138432545} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpzrk5ld5m' ids : {138433158} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpzhasnbog' ids : {138432590} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpzfasqxav' ids : {138433110} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpzc6hmhy2' ids : {138432727} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpyv0bojjy' ids : {138432599} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpysmz25zk' ids : {138433121} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpys9ngjfp' ids : {138432768} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpyj4cyt9x' ids : {138432626} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpyeafzc1l' ids : {138433037} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpyb92u4ks' ids : {138432624} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpyaqyzdh2' ids : {138432627} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpyanyg7k1' ids : {138433075} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpy80ekdd1' ids : {138433079} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpy7x96kz6' ids : {138432737} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpxwjnupm6' ids : {138433159} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpxu9ur0dk' ids : {138433114} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpxprgfu3g' ids : {138433128} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpxhdbxyvm' ids : {138433116} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpxgjt88me' ids : {138433140} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpxe9tjaab' ids : {138432700} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpxbxwnka9' ids : {138432778} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpx5yhv0v7' ids : {138432699} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpx4qwa2mn' ids : {138432613} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpwxzw_kjf' ids : {138433174} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpwx3m9n4v' ids : {138433137} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpwukrdeam' ids : {138433059} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpw9ecmaex' ids : {138433099} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app --- Too many errors; truncated here --- ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-24 12:03 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 67 12 817 3 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpu2734hfj' ids : {138433179} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmpowlujt2n' ids : {138433178} ------------------------------------- ------------------------------------- count : 1 OSError Error getting task result: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/compute_manager.py", line 366, in _acquire_complete_tasks ret[executor_label][task_id] = task.result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 451, in result return self.__get_result() File "/opt/conda/envs/qcfractal/lib/python3.10/concurrent/futures/_base.py", line 403, in __get_result raise self._exception File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 301, in handle_exec_update res = self._unwrap_remote_exception_wrapper(future) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/dataflow/dflow.py", line 573, in _unwrap_remote_exception_wrapper result.reraise() File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 122, in reraise reraise(t, v, v.__traceback__) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/six.py", line 719, in reraise raise value File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/parsl/app/errors.py", line 145, in wrapper return func(*args, **kwargs) File "/opt/conda/envs/qcfractal/lib/python3.10/site-packages/qcfractalcompute/apps/qcengine.py", line 41, in qcengine_conda_app with tempfile.NamedTemporaryFile("w") as f: File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 559, in NamedTemporaryFile file = _io.open(dir, mode, buffering=buffering, File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 556, in opener fd, name = _mkstemp_inner(dir, prefix, suffix, flags, output_type) File "/opt/conda/envs/qcfractal/lib/python3.10/tempfile.py", line 256, in _mkstemp_inner fd = _os.open(file, flags, 0o600) OSError: [Errno 28] No space left on device: '/tmp/tmp3ngsn3t_' ids : {138433180} ------------------------------------- ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-24 21:45 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 115 35 749 0 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-25 12:04 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 188 28 683 0 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-26 12:03 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 595 124 180 0 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-26 23:54 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 814 80 5 0 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-27 12:04 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 897 2 0 0 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-27 15:00 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 898 1 0 0 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-27 15:40 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 898 1 0 0 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Current status - Archived/Complete

Consider manually moving this.

openff-dangerbot commented 1 month ago

Lifecycle - Archived/Complete
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-27 16:07 UTC

Dataset Complete!

openff-dangerbot commented 1 month ago

Current status - Archived/Complete

Consider manually moving this.

openff-dangerbot commented 1 month ago

Lifecycle - Archived/Complete
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-27 20:08 UTC

Dataset Complete!

openff-dangerbot commented 1 month ago

Lifecycle - Error Cycling Report
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-27 23:45 UTC

All errored tasks will be restarted. Errored states prior to restart reported below.

ResultRecord current status

specification COMPLETE RUNNING WAITING ERROR CANCELLED INVALID DELETED
default 899 0 0 0 0 0 0

ResultRecord Error Tracebacks:

Tracebacks (click to expand) ``` ```
QCSubmit version information(click to expand) | | version | |:-------------------|:----------| | openff.qcsubmit | 0.53.0 | | openff.toolkit | 0.16.3 | | basis_set_exchange | 0.10 | | qcelemental | 0.28.0 | | rdkit | 2024.03.5 |
openff-dangerbot commented 1 month ago

Current status - Archived/Complete

Consider manually moving this.

openff-dangerbot commented 1 month ago

Lifecycle - Archived/Complete
Dataset Name OpenFF Sulfur Hessian Training Coverage Supplement v1.0
Dataset Type singlepoint
UTC Datetime 2024-09-27 23:45 UTC

Dataset Complete!