pyiron_base.jobs.job.interactive module

InteractiveBase class extends the Generic Job class with all the functionality to run the job object interactivley.

class pyiron_base.jobs.job.interactive.InteractiveBase(project, job_name)

Bases: GenericJob

InteractiveBase class extends the Generic Job class with all the functionality to run the job object interactively. From this class all interactive Hamiltonians are derived. Therefore it should contain the properties/routines common to all interactive jobs. The functions in this module should be as generic as possible.

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’, ‘ParallelMaster’, ‘ScriptJob’,

‘ListMaster’]

Examples

In the default ‘modal’ mode calculation jobs can only be executed ones:

>>> job.run()

Still if you want to execute multiple similar calculations, you can execute them in interactive mode:

>>> with job.interactive_open() as job_int:
>>>     # Do something with job_int
>>>     job_int.run()
from_hdf(hdf=None, group_name=None)

Restore the InteractiveBase object in the HDF5 File

Parameters:

  • hdf (ProjectHDFio) – HDF5 group object - optional

  • group_name (str) – HDF5 subgroup name - optional

interactive_close()

Stop interactive execution and sync interactive output cache.

Sets the job status to finished, run() cannot be called after this.

interactive_flush(path='interactive', include_last_step=False)
Parameters:

  • path

  • include_last_step

Returns:

property interactive_flush_frequency
interactive_is_activated()

Returns:

interactive_open()

Set the run mode to interactive.

This is the same as setting server.run_mode.interactive.

Must be called before run() is called.

interactive_store_in_cache(key, value)
Parameters:

  • key

  • value

Returns:

property interactive_write_frequency
run_if_interactive()

For jobs which executables are available as Python library, those can also be executed with a library call instead of calling an external executable. This is usually faster than a single core python job.

run_if_interactive_non_modal()

For jobs which executables are available as Python library, those can also be executed with a library call instead of calling an external executable. This is usually faster than a single core python job.

to_hdf(hdf=None, group_name=None)

Store the InteractiveBase object in the HDF5 File

Parameters:

  • hdf (ProjectHDFio) – HDF5 group object - optional

  • group_name (str) – HDF5 subgroup name - optional

validate_ready_to_run()

This should work but doesn’t…