def parse(self, retrieved_temporary_folder=None):
"""Parse a retrieved job calculation.
This is called once it's finished waiting for the calculation to be finished and the data has been retrieved.
"""
import shutil
from aiida.engine.daemon import execmanager
try:
exit_code = execmanager.parse_results(self, retrieved_temporary_folder)
finally:
# Delete the temporary folder
try:
shutil.rmtree(retrieved_temporary_folder)
except OSError as exception:
if exception.errno != 2:
raise
# Finally link up the outputs and we're done
for entry in self.node.get_outgoing():
self.out(entry.link_label, entry.node)
return exit_code
nlcgcalc = CalculationFactory('sirius.py.nlcg')
calc = nlcgcalc(inputs)
with SandboxFolder() as sandbox_folder:
calc_info, script_filename = calc.presubmit(sandbox_folder)
calc_info.uuid = calc.node.uuid
# calc_info = calc.prepare_for_submission(folder=None)
from aiida.engine.daemon import execmanager
with computer.get_transport() as transport:
calc_info, script_filename = execmanager.upload_calculation(
calc.node, transport, calc_info, script_filename=script_filename)
# dummy submit
job_id = -1
calc.node.set_job_id(job_id)
# copy stdout to workdir instead of running the actual calculation
remote_workdir = calc.node.attributes['remote_workdir']
copyfile('sirius.py.nlcg.out',
os.path.join(remote_workdir, 'sirius.py.nlcg.out'))
calc.node.set_state(CalcJobState.RETRIEVING)
execmanager.retrieve_calculation(calc.node,
transport,
retrieved_temporary_folder=None)
calc.node.set_state(CalcJobState.PARSING)
execmanager.parse_results(calc)
for out in calc.outputs:
calc.outputs[out].store()
calc.kill()
