aiidalab / aiidalab/aiidalab-qe

Submission calculation failure

Abierto
#1,418 3 comentarios 0 reacciones 0 asignados Ver en GitHub
bug
Lenguaje dominante
Python
Estrellas
33
Forks
25
Merge medio
6 h 7 min
PR fusionados (30 d)
8

Descripción

```python
---------------------------------------------------------------------------
AttributeError Traceback (most recent call last)
~/apps/quantum-espresso/src/aiidalab_qe/common/wizard.py in confirm(self, _)
169
170 def confirm(self, _=None):
--> 171 self._model.confirm()
172
173 def _enable_confirm_button(self):

~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in confirm(self)
64 super().confirm()
65 if not self.has_process:
---> 66 self._submit()
67
68 def update(self):

~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in _submit(self)
183 def _submit(self):
184 parameters = self.get_model_state()
--> 185 builder = self._create_builder(parameters)
186
187 with self.hold_trait_notifications():

~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in _create_builder(self, parameters)
222
223 def _create_builder(self, parameters) -> ProcessBuilderNamespace:
--> 224 builder = QeAppWorkChain.get_builder_from_protocol(
225 structure=self.input_structure,
226 # Use shallow copy to avoid parameter mutation by the workflow

~/apps/quantum-espresso/src/aiidalab_qe/workflows/__init__.py in get_builder_from_protocol(cls, structure, parameters, **kwargs)
202 **kwargs,
203 )
--> 204 enable_pencil_decomposition(relax_builder.base.pw)
205 # pop the inputs that are excluded from the expose_inputs
206 relax_builder.pop("structure", None)

AttributeError: 'ProcessBuilder-f2babe15-613f-4f36-a075-9907b8cbea9' object has no attribute 'base'
```

When trying to submit a calculation in the main branch this bug appears,

The Quantum espresso version is 4.12.1

Guía de contribución

No hay ninguna guía de contribución indexada para este repositorio

Evaluación

Este issue todavía no se ha evaluado.

Recibe los nuevos issues en tu correo

Un resumen breve de issues de GitHub para principiantes.