FileNotFoundError when importing with -Structure from file- using workflow executor
When the workflow executor is employed the default "evaluate none" policy will only interpret non-print statements, without evaluation.
This naturally affects the import of ay structure files as variables since the Structure from file
parameter is not evaluated.
After the model is interpreted with the workflow executor, these structure variables will have n.c.
values.
When the workflow is run (externally), the data for the structure variables is unavailable, thus causing termination of the evaluation with an error message. In particular, if the worflow is run using FireWorks' rlaunch
command, the following output is produced:
FileNotFoundError: [Errno 2] No such file or directory: 'GEOMETRY.cif'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
[...]
virtmat.language.utilities.errors.StructureInputError: error occured reading structure
Would this require some sort of special exception for Structure
parameters, so that external evaluation of the workflow can be achieved?