Input > %hist
WAITING 2024-09-12T10:45:08+02:00 blk_struct = Structure from file 'pd27.poscar'
WAITING 2024-09-12T11:01:48+02:00 calc = Calculator vasp == 6.4.3 ((ismear: 1), (sigma: 0.2) [eV], (isif: 2), (ibrion: 2), (prec: 'Normal'), (kpts: [3, 3, 3]), (xc: 'pbe'), (ediff: 1e-6) [eV], (ediffg: -0.005) [eV / angstrom], (algo: 'Fast'), (encut: 300) [eV], (ispin: 2), (nsw: 500), (potim: 2.0), (lwave: false), (lcharg: false), (nelmin: 8)), task: local minimum
Input > prop = Property energy, forces ((structure: blk_struct), (calculator: calc))
Input > prop := Property energy, forces ((structure: blk_struct), (calculator: calc)) on 38 cores for 2 [hours]
Traceback (most recent call last):
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/utilities/errors.py", line 302, in wrapper
return func(*args, **kwargs)
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/interpreter/session_manager.py", line 116, in get_model_value
return getattr(self.session.get_model(*args, uuid=self.uuid, **kwargs), 'value', '')
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/interpreter/session.py", line 135, in get_model
self.process_models(model_str, model_path)
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/interpreter/session.py", line 217, in process_models
model, uuid = self._process_model(uuid, *args)
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/interpreter/session.py", line 560, in _process_model
model = tx_get_model(model_src, deferred_mode=True,
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/textx/metamodel.py", line 699, in model_from_str
p(model, self)
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/metamodel/workflow.py", line 107, in qadapter_processor
assert textx_isinstance(res.parent, metamodel['Variable'])
AssertionError
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/utilities/errors.py", line 302, in wrapper
return func(*args, **kwargs)
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/interpreter/session_manager.py", line 153, in process_input
output = self.get_model_value(model_str=input_str)
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/utilities/errors.py", line 337, in wrapper
raise RuntimeError('non-handled exception') from err
RuntimeError: non-handled exception
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/utilities/errors.py", line 302, in wrapper
return func(*args, **kwargs)
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/cli/run_session.py", line 93, in main
mgr.main_loop()
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/interpreter/session_manager.py", line 132, in main_loop
if self.process_input(input_str):
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/utilities/errors.py", line 337, in wrapper
raise RuntimeError('non-handled exception') from err
RuntimeError: non-handled exception
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "jupyter-base-2024-05-14/bin/texts", line 8, in <module>
sys.exit(texts())
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/cli/__init__.py", line 28, in texts
clargs.func(clargs)
File "jupyter-base-2024-05-14/lib64/python3.9/site-packages/virtmat/language/utilities/errors.py", line 337, in wrapper
raise RuntimeError('non-handled exception') from err
RuntimeError: non-handled exception