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Interactive: Set status to aborted when job failed #1604

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merged 1 commit into from
Aug 19, 2024

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Example:

from pyiron_atomistics import Project

pr = Project("test")
job = pr.create.job.Lammps("lmp")
job.structure = pr.create.structure.ase.bulk("Al", cubic=True)
job.potential = '2005--Mendelev-M-I--Al-Fe--LAMMPS--ipr1'
with job.interactive_open() as job_int:
    job_int.structure = pr.create.structure.ase.bulk("Au", cubic=True)
    job_int.run()

The job fails because Au is not included in the Al potential and it correctly raises an ValueError. Still if we check the status of the job afterwards it is listed as finished:

pr.job_table()

This is now fixed so the job is correctly reported as aborted.

This was initially reported by @HaithamGaafer .

@jan-janssen jan-janssen merged commit d1a247c into main Aug 19, 2024
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@jan-janssen jan-janssen deleted the interactive_aborted branch August 19, 2024 08:47
jan-janssen added a commit that referenced this pull request Aug 30, 2024
This corrects the issue introduced in #1604
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