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Bug report: Application crashed with ValueError #1138

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cpignedoli opened this issue Feb 5, 2025 · 0 comments
Open

Bug report: Application crashed with ValueError #1138

cpignedoli opened this issue Feb 5, 2025 · 0 comments
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automated-report bug Something isn't working

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@cpignedoli
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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)
    231     def _submit(self):
    232         parameters = self.get_model_state()
--> 233         builder = self._create_builder(parameters)
    234 
    235         with self.hold_trait_notifications():

~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in _create_builder(self, parameters)
    273 
    274     def _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)
    213         for name, entry_point in plugin_entries.items():
    214             if 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         != 1
     31     ):
---> 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.
Environment fingerprint
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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.

@cpignedoli cpignedoli added automated-report bug Something isn't working labels Feb 5, 2025
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