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I was erroneously selecting codes from different resources
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
~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in _submit(self)
231def_submit(self):
232 parameters =self.get_model_state()
--> 233 builder = self._create_builder(parameters)
234235withself.hold_trait_notifications():
~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in _create_builder(self, parameters)
273274def_create_builder(self, parameters) -> ProcessBuilderNamespace:
--> 275 builder = QeAppWorkChain.get_builder_from_protocol(
276 structure=self.input_structure,
277 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)
213for name, entry_point in plugin_entries.items():
214if name in properties:
--> 215 plugin_builder = entry_point["get_builder"](
216 codes[name]["codes"],
217 builder.structure,
~/apps/quantum-espresso/src/aiidalab_qe/plugins/pdos/workchain.py in get_builder(codes, structure, parameters, **kwargs)
56 dos_code = codes.get("dos")["code"]
57 projwfc_code = codes.get("projwfc")["code"]
---> 58 check_codes(pw_code, dos_code, projwfc_code)
59 protocol = parameters["workchain"]["protocol"]
60
~/apps/quantum-espresso/src/aiidalab_qe/plugins/pdos/workchain.py in check_codes(pw_code, dos_code, projwfc_code)
30!=131 ):
---> 32 raise ValueError(
33"All selected codes must be installed on the same computer. This is because the "34"PDOS calculations rely on large files that are not retrieved by AiiDA."ValueError: All selected codes must be installed on the same computer. This is because the PDOS calculations rely on large files that are not retrieved by AiiDA.
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.
The text was updated successfully, but these errors were encountered:
I was erroneously selecting codes from different resources
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.
The text was updated successfully, but these errors were encountered: