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('Li', 'F')
Got 17 hits
Submitted WorkChain 519 for LiF/225/cF8
root@aiida-new:~/mpds-aiida# verdi process report 519
2020-02-11 19:50:20 [217 | WARNING]: Skipping phonon frequency calculation
2020-02-11 19:50:20 [218 | REPORT]: [519|MPDSCrystalWorkchain|on_except]: Traceback (most recent call last):
File "/usr/local/lib/python3.7/dist-packages/plumpy/process_states.py", line 220, in execute
result = self.run_fn(*self.args, **self.kwargs)
File "/usr/local/lib/python3.7/dist-packages/aiida/engine/processes/workchains/workchain.py", line 181, in _do_step
finished, stepper_result = self._stepper.step()
File "/usr/local/lib/python3.7/dist-packages/plumpy/workchains.py", line 283, in step
finished, result = self._child_stepper.step()
File "/usr/local/lib/python3.7/dist-packages/plumpy/workchains.py", line 234, in step
return True, self._fn(self._workchain)
File "/usr/local/lib/python3.7/dist-packages/mpds_aiida/workflows/crystal.py", line 164, in calculate_elastic_constants
self.ctx.inputs.crystal.structure = self.ctx.optimise.outputs.output_structure
File "/usr/local/lib/python3.7/dist-packages/aiida/orm/utils/managers.py", line 85, in __getattr__
return self._get_node_by_link_label(label=name)
File "/usr/local/lib/python3.7/dist-packages/aiida/orm/utils/managers.py", line 66, in _get_node_by_link_label
return self._node.get_outgoing(link_type=self._link_type).get_node_by_label(label)
File "/usr/local/lib/python3.7/dist-packages/aiida/orm/utils/links.py", line 308, in get_node_by_label
raise exceptions.NotExistent('no neighbor with the label {} found'.format(label))
aiida.common.exceptions.NotExistent: no neighbor with the label output_structure found
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Happened while:
The text was updated successfully, but these errors were encountered: