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This issue was created with the app's automated bug reporting feature.
Attached to this issue is the full traceback as well as an environment
fingerprint that contains information about the operating system as well as all
installed libraries.
Additional comments (optional):
Example: I submitted a band structure calculation for Silica.
Attachments
Traceback
~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in _create_builder(self, parameters)
251252def_create_builder(self, parameters) -> ProcessBuilderNamespace:
--> 253 builder = QeAppWorkChain.get_builder_from_protocol(
254 structure=self.input_structure,
255 parameters=deepcopy(parameters), #TODO why deepcopy again?
~/apps/quantum-espresso/src/aiidalab_qe/workflows/__init__.py in get_builder_from_protocol(cls, structure, parameters, **kwargs)
203for name, entry_point in plugin_entries.items():
204if name in properties:
--> 205 plugin_builder = entry_point["get_builder"](
206 codes[name]["codes"],
207 builder.structure,
~/apps/quantum-espresso/src/aiidalab_qe/plugins/pdos/workchain.py in get_builder(codes, structure, parameters, **kwargs)
102 )
103# include nbands_factor (Same as in BandsWorkChain)
--> 104 pdos["nbands_factor"] = orm.Float(
105 PwBandsWorkChain.get_protocol_inputs()["nbands_factor"]
106 )
/opt/conda/lib/python3.9/site-packages/aiida/engine/processes/builder.py in __setitem__(self, item, value)
150151def__setitem__(self, item, value):
--> 152 self.__setattr__(item, value)
153154def__delitem__(self, item):
/opt/conda/lib/python3.9/site-packages/aiida/engine/processes/builder.py in __setattr__(self, attr, value)
112exceptKeyErroras exception:
113ifnotself._port_namespace.dynamic:
--> 114 raise AttributeError(f'Unknown builder parameter: {attr}') from exception
115 port =None116else:
AttributeError: Unknown builder parameter: nbands_factor
By submitting this issue I confirm that I am aware that this information can
potentially be used to determine what kind of calculation was performed at the
time of error.
@AndresOrtegaGuerrero thanks for the info regarding having to upgrade the QE plugin. Perhaps we should think of a notification at the top of the app if it detects that the plugin needs an update. Will think about it...
Automated report
This issue was created with the app's automated bug reporting feature.
Attached to this issue is the full traceback as well as an environment
fingerprint that contains information about the operating system as well as all
installed libraries.
Additional comments (optional):
Example: I submitted a band structure calculation for Silica.
Attachments
Traceback
Environment fingerprint
By submitting this issue I confirm that I am aware that this information can
potentially be used to determine what kind of calculation was performed at the
time of error.
Got this on submission. I'm guessing this issue was introduced in #965. @AndresOrtegaGuerrero?
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