from pyiron_base import PythonTemplateJob
class ToyJob(PythonTemplateJob):
def __init__(self, project, job_name):
super(ToyJob, self).__init__(project, job_name)
self.input['input_energy'] = 100
# This function is executed
def run_static(self):
with self.project_hdf5.open("output/generic") as h5out:
h5out["energy_tot"] = self.input["input_energy"]
self.status.finished = True
from pyiron_base import Project
pr = Project('test')
pr.remove_jobs_silently(recursive=True)
job = pr.create_job(job_type=ToyJob, job_name="toy")
print(job.input)
job.run()
job['output/generic/energy_tot']
Parameter Value Comment 0 input_energy 100 The job toy was saved and received the ID: 470
100
pr.pack(destination_path='archive_folder',compress=True)
pr.job_table()
id | status | chemicalformula | job | subjob | projectpath | project | timestart | timestop | totalcputime | computer | hamilton | hamversion | parentid | masterid | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 470 | finished | None | toy | /toy | /home/muhammad/ | workspace/gitRepo/pyiron_base/notebooks/test/ | 2021-01-11 11:53:56.199496 | None | None | pyiron@cmleo14#1 | GenericJob | 0.4 | None | None |