aiidalab / aiidalab/aiidalab-qe
Find a way to warn the user of the need of being in the same computer before crashing the app
- Dominant language
- Python
- Stars
- 33
- Forks
- 25
- Avg merge
- 6h 7m
- Merged PRs (30d)
- 8
Description
## 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
```python-traceback
/opt/conda/lib/python3.9/site-packages/aiidalab_qe/app/submission/model.py in _create_builder(self, parameters)
230
231 def _create_builder(self, parameters) -> ProcessBuilderNamespace:
--> 232 builder = QeAppWorkChain.get_builder_from_protocol(
233 structure=self.input_structure,
234 parameters=deepcopy(parameters), # TODO why deepcopy again?
/opt/conda/lib/python3.9/site-packages/aiidalab_qe/workflows/__init__.py in get_builder_from_protocol(cls, structure, parameters, **kwargs)
218 for name, entry_point in plugin_entries.items():
219 if name in properties:
--> 220 plugin_builder = entry_point["get_builder"](
221 codes[name]["codes"],
222 builder.structure,
~/.local/lib/python3.9/site-packages/aiidalab_qe_wannier90/workchain.py in get_builder(codes, structure, parameters, **kwargs)
31 if plot_wannier_functions:
32 all_codes['python'] = codes.get('python')['code']
---> 33 check_codes(all_codes)
34 protocol = parameters['workchain']['protocol']
35 protocol_map = {
~/.local/lib/python3.9/site-packages/aiidalab_qe_wannier90/workchain.py in check_codes(codes)
6 """Check that the codes are installed on the same computer."""
7 if (len({code.computer.pk for code in codes.values()})!= 1):
----> 8 raise ValueError(
9 'All selected codes must be installed on the same computer. This is because the '
10 '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 calculations rely on large files that are not retrieved by AiiDA.
```
Environment fingerprint
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aOU=
**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.**
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