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wf=Workflow('simple_lammps_calculation')
structure=wf.create.atomistics.Bulk(cubic=True, name="Cu", label='structure')
lammps_job=wf.create.lammps.LammpsStaticNode(label='lammps_job')
lammps_job.inputs.structure=structurelammps_job.inputs.potential='1995--Angelo-J-E--Ni-Al-H--LAMMPS--ipr1'# potential does not contain Cu# out = wf.run()
potential starts
Issue: Running this script raises correctly an error. However, the error message is long. It would be great if we could directly give the error message thrown by the node without getting all the message from pyiron_workflows.
Agreed, and I think it should be possible without much headache.
The text was updated successfully, but these errors were encountered:
Should be as easy to raise Exception from None shouldn't it?
Maybe, but probably not. For instance, in this toy example the context still goes all the way up to the bar call, which I think is the sort of thing we're hoping to ditch since for the workflows this context digs through some very deep code.
From @JNmpi in pyiron/pyiron_contrib#855
Agreed, and I think it should be possible without much headache.
The text was updated successfully, but these errors were encountered: