def registry_tester():
# Call a wf
result, pid = run(nested_tester, _return_pid=True)
assert pid == result['pid']
assert pid == result['node_pk']
# Call a Process
StackTester.run()
return {
'pid': Int(ProcessStack.get_active_process_id()),
'node_pk': Int(ProcessStack.get_active_process_calc_node().pk)
}
def registry_tester():
# Call a wf
future = async (nested_tester)
out = future.result()
assert future.pid == out['pid']
assert future.pid == out['node_pk']
# Call a Process
StackTester.run()
return {
'pid': Int(ProcessStack.get_active_process_id()),
'node_pk': Int(ProcessStack.get_active_process_calc_node().pk)
}
def calc_energies(codename, pseudo_family):
print("Calculating energies, my pk is '{}'".format(
ProcessStack.get_active_process_id()))
futures = {}
for element, scale in [("Si", 5.41)]:
structure = create_diamond_fcc(Str(element), Float(1.))
structure = rescale(structure, Float(scale))
print("Running {} scf calculation.".format(element))
futures[element] = async(run_scf, structure, codename, pseudo_family)
print("Waiting for calculations to finish.")
outs = {element: Float(future.result()['output_parameters'].dict.energy)
for element, future in futures.iteritems()}
print("Calculations finished.")
return outs
def nested_tester():
return {
'pid': Int(ProcessStack.get_active_process_id()),
'node_pk': Int(ProcessStack.get_active_process_calc_node().pk)
}
def _run(self):
assert ProcessStack.get_active_process_id() == self.pid
assert ProcessStack.get_active_process_calc_node() is self.calc
nested_tester()