def create_job(self, job_type, job_name):
"""
Create one of the following jobs:
- 'ExampleJob': example job just generating random number
- 'SerialMaster': series of jobs run in serial
- 'ParallelMaster': series of jobs run in parallel
- 'ScriptJob': Python script or jupyter notebook job container
- 'ListMaster': list of jobs
Args:
job_type (str): job type can be ['ExampleJob', 'SerialMaster', 'ParallelMaster', 'ScriptJob', 'ListMaster']
job_name (str): name of the job
Returns:
GenericJob: job object depending on the job_type selected
"""
job_name = job_name.replace(".", "_")
job = JobType(
job_type,
project=ProjectHDFio(project=self.copy(), file_name=job_name),
job_name=job_name,
job_class_dict=self.job_type.job_class_dict,
)
if self.user is not None:
job.user = self.user
return job
def create_job(self, job_type, job_name):
"""
Create one of the following jobs:
- 'StructureContainer’:
- ‘StructurePipeline’:
- ‘AtomisticExampleJob’: example job just generating random number
- ‘ExampleJob’: example job just generating random number
- ‘Lammps’:
- ‘KMC’:
- ‘Sphinx’:
- ‘Vasp’:
- ‘GenericMaster’:
- ‘SerialMaster’: series of jobs run in serial
- ‘AtomisticSerialMaster’:
- ‘ParallelMaster’: series of jobs run in parallel
- ‘KmcMaster’:
- ‘ThermoLambdaMaster’:
- ‘RandomSeedMaster’:
- ‘MeamFit’:
- ‘Murnaghan’:
- ‘MinimizeMurnaghan’:
- ‘ElasticMatrix’:
- ‘ConvergenceVolume’:
- ‘ConvergenceEncutParallel’:
- ‘ConvergenceKpointParallel’:
- ’PhonopyMaster’:
- ‘DefectFormationEnergy’:
- ‘LammpsASE’:
- ‘PipelineMaster’:
- ’TransformationPath’:
- ‘ThermoIntEamQh’:
- ‘ThermoIntDftEam’:
- ‘ScriptJob’: Python script or jupyter notebook job container
- ‘ListMaster': list of jobs
Args:
job_type (str): job type can be ['StructureContainer’, ‘StructurePipeline’, ‘AtomisticExampleJob’,
‘ExampleJob’, ‘Lammps’, ‘KMC’, ‘Sphinx’, ‘Vasp’, ‘GenericMaster’,
‘SerialMaster’, ‘AtomisticSerialMaster’, ‘ParallelMaster’, ‘KmcMaster’,
‘ThermoLambdaMaster’, ‘RandomSeedMaster’, ‘MeamFit’, ‘Murnaghan’,
‘MinimizeMurnaghan’, ‘ElasticMatrix’, ‘ConvergenceVolume’,
‘ConvergenceEncutParallel’, ‘ConvergenceKpointParallel’, ’PhonopyMaster’,
‘DefectFormationEnergy’, ‘LammpsASE’, ‘PipelineMaster’,
’TransformationPath’, ‘ThermoIntEamQh’, ‘ThermoIntDftEam’, ‘ScriptJob’,
‘ListMaster']
job_name (str): name of the job
Returns:
GenericJob: job object depending on the job_type selected
"""
job = JobType(
job_type,
project=ProjectHDFio(project=self.copy(), file_name=job_name),
job_name=job_name,
job_class_dict=self.job_type.job_class_dict,
)
if self.user is not None:
job.user = self.user
return job