class TestExampleJob(unittest.TestCase):
def setUp(self):
self.count = 12
self.file_location = os.path.dirname(os.path.abspath(__file__))
self.project = Project(os.path.join(self.file_location, 'random_testing_non_modal'))
self.project.remove_jobs(recursive=True)
self.project.set_logging_level('INFO')
@classmethod
def tearDownClass(cls):
# print('tear down')
file_location = os.path.dirname(os.path.abspath(__file__))
project = Project(os.path.join(file_location, 'random_testing_non_modal'))
project.remove_jobs()
project.remove(enable=True)
def test_non_modal_run(self):
ham_non_modal = self.project.create_job(self.project.job_type.ExampleJob, "job_non_modal")
ham_non_modal.input['count'] = self.count
ham_non_modal.server.run_mode.non_modal = True
ham_non_modal.run()
self.assertFalse(ham_non_modal.status.finished)
self.project.wait_for_job(ham_non_modal, interval_in_s=5, max_iterations=50)
self.assertTrue(ham_non_modal.status.finished)
lines = self.project['job_non_modal/input.inp']
input_lst = ["alat 3.2 #lattice constant (would be in a more realistic example in the structure file)\n",
"alpha 0.1 #noise amplitude\n",
"a_0 3 #equilibrium lattice constant\n",
"a_1 0\n",
"a_2 1. #2nd order in energy (corresponds to bulk modulus)\n",
"a_3 0. #3rd order\n",
"a_4 0. #4th order\n",
"count " + str(self.count) + " #number of calls (dummy)\n",
"write_restart True\n",
"read_restart False\n"]
self.assertEqual(input_lst, lines)
lines = self.project['job_non_modal/restart.out']
restart_lst = ["count " + str(self.count) + " \n"]
self.assertEqual(restart_lst, lines)
energy_lst = ham_non_modal.get("output/generic/energy_tot")
self.assertEqual(len(energy_lst), self.count)
lines = self.project['job_non_modal/output.log']
output_lst = ["exampleExecutable logFile \n",
"alat 3.2 \n",
"count " + str(self.count) + " \n"]
self.assertEqual(output_lst, lines[0:3])
energy_output_lst = np.array([float(line.split(' ')[1]) for line in lines[3:]])
for e_1, e_2 in zip(energy_lst, energy_output_lst):
self.assertTrue(1 > e_1 > 0)
self.assertEqual(e_1, e_2)
ham_non_modal.remove()
def tearDownClass(cls):
cls.execution_path = os.path.dirname(os.path.abspath(__file__))
project = Project(os.path.join(cls.execution_path, "table"))
project.remove_jobs(recursive=True)
project.remove(enable=True)
def tearDownClass(cls):
project = Project('testing_murnaghan_non_modal')
project.remove_jobs(recursive=True)
project.remove(enable=True, enforce=True)
def tearDownClass(cls):
# print('tear down')
file_location = os.path.dirname(os.path.abspath(__file__))
project = Project(os.path.join(file_location, 'random_testing_non_modal'))
project.remove_jobs()
project.remove(enable=True)
def tearDownClass(cls):
cls.file_location = os.path.dirname(os.path.abspath(__file__))
project = Project(
os.path.join(cls.file_location, "vasp_import_testing"))
project.remove_jobs(recursive=True)
project.remove(enable=True)
def tearDownClass(cls):
file_location = os.path.dirname(os.path.abspath(__file__))
project = Project(
os.path.join(file_location, 'testing_murnaghan_non_modal'))
project.remove_jobs(recursive=True)
project.remove(enable=True, enforce=True)