Load an example KkrimpCalculation node
$ calc = load_node(...)
$ calc
<CalcJobNode: uuid: a8811c72-1992-4a5f-97fa-c416e2ad03f6 (pk: 495) (aiida.calculations:kkr.kkrimp)>
and run the find_parent_structure function results in the following error
$ find_parent_structure(calc)
Warning: find_parent_structure takes quite long (already searched 200 ancestors). Stop after 1000
Warning: find_parent_structure takes quite long (already searched 400 ancestors). Stop after 1000
Warning: find_parent_structure takes quite long (already searched 600 ancestors). Stop after 1000
Warning: find_parent_structure takes quite long (already searched 800 ancestors). Stop after 1000
Warning: find_parent_structure takes quite long (already searched 1000 ancestors). Stop after 1000
---------------------------------------------------------------------------
ValueError Traceback (most recent call last)
Cell In[25], line 1
----> 1 find_parent_structure(calc)
File /opt/aiida-kkr/aiida_kkr/tools/__init__.py:36, in find_parent_structure(calc_or_remote, return_voro)
26 """
27 Traverse the provenance graph upwards to find the input structure
28 from a KkrCalculation or VoronoiCalculation node or their remote_folder
(...)
32 :return struc: parent StructureData node
33 """
34 from .find_parent import find_parent_structure
---> 36 struc, voro_calc = find_parent_structure(calc_or_remote)
38 if return_voro:
39 return struc, voro_calc
File /opt/aiida-kkr/aiida_kkr/tools/find_parent.py:90, in find_parent_structure(parent_folder)
88 return struc, parent_folder_tmp
89 else:
---> 90 raise ValueError('structure not found')
ValueError: structure not found
Load an example KkrimpCalculation node
and run the
find_parent_structure functionresults in the following error