pyiron.base.master.list module

class pyiron.base.master.list.ListMaster(project, job_name)[source]

Bases: pyiron.base.master.generic.GenericMaster

The ListMaster is the most simple MetaJob derived from the GenericMaster. It behaves like a Python list object. Jobs can be append to the ListMaster just like elements are added to a list and then all jobs can be executed together. This also works for already executed jobs, unless they are already linked to a different MetaJob - meaning they already have a master ID assigned to them.

Parameters:
  • project (ProjectHDFio) – ProjectHDFio instance which points to the HDF5 file the job is stored in
  • job_name (str) – name of the job, which has to be unique within the project
.. attribute:: job_name

name of the job, which has to be unique within the project

.. attribute:: status
execution status of the job, can be one of the following [initialized, appended, created, submitted,
running, aborted, collect, suspended, refresh, busy, finished]
.. attribute:: job_id

unique id to identify the job in the pyiron database

.. attribute:: parent_id

job id of the predecessor job - the job which was executed before the current one in the current job series

.. attribute:: master_id

job id of the master job - a meta job which groups a series of jobs, which are executed either in parallel or in serial.

.. attribute:: child_ids

list of child job ids - only meta jobs have child jobs - jobs which list the meta job as their master

.. attribute:: project

Project instance the jobs is located in

.. attribute:: project_hdf5

ProjectHDFio instance which points to the HDF5 file the job is stored in

.. attribute:: job_info_str

short string to describe the job by it is job_name and job ID - mainly used for logging

.. attribute:: working_directory

working directory of the job is executed in - outside the HDF5 file

.. attribute:: path

path to the job as a combination of absolute file system path and path within the HDF5 file.

.. attribute:: version

Version of the hamiltonian, which is also the version of the executable unless a custom executable is used.

.. attribute:: executable

Executable used to run the job - usually the path to an external executable.

.. attribute:: library_activated

For job types which offer a Python library pyiron can use the python library instead of an external executable.

.. attribute:: server

Server object to handle the execution environment for the job.

.. attribute:: queue_id

the ID returned from the queuing system - it is most likely not the same as the job ID.

.. attribute:: logger

logger object to monitor the external execution and internal pyiron warnings.

.. attribute:: restart_file_list

list of files which are used to restart the calculation from these files.

.. attribute:: job_type
Job type object with all the available job types: [‘ExampleJob’, ‘SerialMaster’, ‘ParallelMaster’,
‘ScriptJob’, ‘ListMaster’]
.. attribute:: child_names

Dictionary matching the child ID to the child job name.

.. attribute:: submission_status

Monitors how many jobs have been submitted and how many have to be submitted in future.

append(job)[source]

Append a job to the ListMaster - just like you would append an element to a list.

Parameters:job (JobCore, GenericJob, int) – job to append
collect_output()[source]

Collect output is not implemented for ListMaster jobs

copy()[source]

Copy the ListMaster object which links to the job and its HDF5 file

Returns:New ListMaster object pointing to the same job
Return type:ListMaster
is_finished()[source]

Check if the ListMaster job is finished - by checking the job status and the submission status.

Returns:[True/False]
Return type:bool
iter_jobs(convert_to_object=True)[source]

Iterate over the jobs within the ListMaster

Parameters:convert_to_object (bool) – load the full GenericJob object (default) or just the HDF5 / JobCore object
Returns:Yield of GenericJob or JobCore
Return type:yield
refresh_submission_status()[source]

Refresh the submission status - if a job ID job_id is set then the submission status is loaded from the database.

reset_job_id(job_id=None)[source]

Reset the job id sets the job_id to None as well as all connected modules like JobStatus and SubmissionStatus.

run_if_interactive()[source]

run_if_interactive() is not implemented for ListMaster jobs

run_if_refresh()[source]

Internal helper function the run if refresh function is called when the job status is ‘refresh’. If the job was suspended previously, the job is going to be started again, to be continued.

run_static()[source]

The run static function is called by run to execute the simulation. For the ListMaster this means executing all the childs appened in parallel.

save()[source]

Save the object, by writing the content to the HDF5 file and storing an entry in the database.

Returns:Job ID stored in the database
Return type:(int)
set_input_to_read_only()[source]

This function enforces read-only mode for the input classes, but it has to be implement in the individual classes.

write_input()[source]

Write the input files - for the ListMaster this only contains the execution mode, which is ‘parallel’ by default.