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|
:py:mod:`aiida.schedulers`
==========================
.. py:module:: aiida.schedulers
.. autodoc2-docstring:: aiida.schedulers
:allowtitles:
Package Contents
----------------
Classes
~~~~~~~
.. list-table::
:class: autosummary longtable
:align: left
* - :py:obj:`JobInfo <aiida.schedulers.datastructures.JobInfo>`
- .. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo
:summary:
* - :py:obj:`JobResource <aiida.schedulers.datastructures.JobResource>`
- .. autodoc2-docstring:: aiida.schedulers.datastructures.JobResource
:summary:
* - :py:obj:`JobState <aiida.schedulers.datastructures.JobState>`
- .. autodoc2-docstring:: aiida.schedulers.datastructures.JobState
:summary:
* - :py:obj:`JobTemplate <aiida.schedulers.datastructures.JobTemplate>`
- .. autodoc2-docstring:: aiida.schedulers.datastructures.JobTemplate
:summary:
* - :py:obj:`MachineInfo <aiida.schedulers.datastructures.MachineInfo>`
- .. autodoc2-docstring:: aiida.schedulers.datastructures.MachineInfo
:summary:
* - :py:obj:`NodeNumberJobResource <aiida.schedulers.datastructures.NodeNumberJobResource>`
- .. autodoc2-docstring:: aiida.schedulers.datastructures.NodeNumberJobResource
:summary:
* - :py:obj:`ParEnvJobResource <aiida.schedulers.datastructures.ParEnvJobResource>`
- .. autodoc2-docstring:: aiida.schedulers.datastructures.ParEnvJobResource
:summary:
* - :py:obj:`Scheduler <aiida.schedulers.scheduler.Scheduler>`
- .. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler
:summary:
* - :py:obj:`SchedulerError <aiida.schedulers.scheduler.SchedulerError>`
- .. autodoc2-docstring:: aiida.schedulers.scheduler.SchedulerError
:summary:
* - :py:obj:`SchedulerParsingError <aiida.schedulers.scheduler.SchedulerParsingError>`
- .. autodoc2-docstring:: aiida.schedulers.scheduler.SchedulerParsingError
:summary:
API
~~~
.. py:class:: JobInfo(dictionary=None)
:canonical: aiida.schedulers.datastructures.JobInfo
Bases: :py:obj:`aiida.common.extendeddicts.DefaultFieldsAttributeDict`
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo
.. rubric:: Initialization
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo.__init__
.. py:attribute:: _default_fields
:canonical: aiida.schedulers.datastructures.JobInfo._default_fields
:value: ('job_id', 'title', 'exit_status', 'terminating_signal', 'annotation', 'job_state', 'job_substate', ...
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo._default_fields
.. py:attribute:: _special_serializers
:canonical: aiida.schedulers.datastructures.JobInfo._special_serializers
:value: None
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo._special_serializers
.. py:method:: _serialize_job_state(job_state)
:canonical: aiida.schedulers.datastructures.JobInfo._serialize_job_state
:staticmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo._serialize_job_state
.. py:method:: _deserialize_job_state(job_state)
:canonical: aiida.schedulers.datastructures.JobInfo._deserialize_job_state
:staticmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo._deserialize_job_state
.. py:method:: _serialize_date(value)
:canonical: aiida.schedulers.datastructures.JobInfo._serialize_date
:staticmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo._serialize_date
.. py:method:: _deserialize_date(value)
:canonical: aiida.schedulers.datastructures.JobInfo._deserialize_date
:staticmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo._deserialize_date
.. py:method:: serialize_field(value, field_type)
:canonical: aiida.schedulers.datastructures.JobInfo.serialize_field
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo.serialize_field
.. py:method:: deserialize_field(value, field_type)
:canonical: aiida.schedulers.datastructures.JobInfo.deserialize_field
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo.deserialize_field
.. py:method:: serialize()
:canonical: aiida.schedulers.datastructures.JobInfo.serialize
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo.serialize
.. py:method:: get_dict()
:canonical: aiida.schedulers.datastructures.JobInfo.get_dict
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo.get_dict
.. py:method:: load_from_dict(data)
:canonical: aiida.schedulers.datastructures.JobInfo.load_from_dict
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo.load_from_dict
.. py:method:: load_from_serialized(data)
:canonical: aiida.schedulers.datastructures.JobInfo.load_from_serialized
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobInfo.load_from_serialized
.. py:class:: JobResource(dictionary=None)
:canonical: aiida.schedulers.datastructures.JobResource
Bases: :py:obj:`aiida.common.extendeddicts.DefaultFieldsAttributeDict`
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobResource
.. rubric:: Initialization
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobResource.__init__
.. py:attribute:: _default_fields
:canonical: aiida.schedulers.datastructures.JobResource._default_fields
:value: None
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobResource._default_fields
.. py:method:: validate_resources(**kwargs)
:canonical: aiida.schedulers.datastructures.JobResource.validate_resources
:abstractmethod:
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobResource.validate_resources
.. py:method:: get_valid_keys()
:canonical: aiida.schedulers.datastructures.JobResource.get_valid_keys
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobResource.get_valid_keys
.. py:method:: accepts_default_mpiprocs_per_machine()
:canonical: aiida.schedulers.datastructures.JobResource.accepts_default_mpiprocs_per_machine
:abstractmethod:
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobResource.accepts_default_mpiprocs_per_machine
.. py:method:: accepts_default_memory_per_machine()
:canonical: aiida.schedulers.datastructures.JobResource.accepts_default_memory_per_machine
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobResource.accepts_default_memory_per_machine
.. py:method:: get_tot_num_mpiprocs()
:canonical: aiida.schedulers.datastructures.JobResource.get_tot_num_mpiprocs
:abstractmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobResource.get_tot_num_mpiprocs
.. py:class:: JobState(*args, **kwds)
:canonical: aiida.schedulers.datastructures.JobState
Bases: :py:obj:`enum.Enum`
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobState
.. rubric:: Initialization
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobState.__init__
.. py:attribute:: UNDETERMINED
:canonical: aiida.schedulers.datastructures.JobState.UNDETERMINED
:value: 'undetermined'
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobState.UNDETERMINED
.. py:attribute:: QUEUED
:canonical: aiida.schedulers.datastructures.JobState.QUEUED
:value: 'queued'
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobState.QUEUED
.. py:attribute:: QUEUED_HELD
:canonical: aiida.schedulers.datastructures.JobState.QUEUED_HELD
:value: 'queued held'
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobState.QUEUED_HELD
.. py:attribute:: RUNNING
:canonical: aiida.schedulers.datastructures.JobState.RUNNING
:value: 'running'
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobState.RUNNING
.. py:attribute:: SUSPENDED
:canonical: aiida.schedulers.datastructures.JobState.SUSPENDED
:value: 'suspended'
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobState.SUSPENDED
.. py:attribute:: DONE
:canonical: aiida.schedulers.datastructures.JobState.DONE
:value: 'done'
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobState.DONE
.. py:class:: JobTemplate(dictionary=None)
:canonical: aiida.schedulers.datastructures.JobTemplate
Bases: :py:obj:`aiida.common.extendeddicts.DefaultFieldsAttributeDict`
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobTemplate
.. rubric:: Initialization
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobTemplate.__init__
.. py:attribute:: _default_fields
:canonical: aiida.schedulers.datastructures.JobTemplate._default_fields
:value: ('shebang', 'submit_as_hold', 'rerunnable', 'job_environment', 'environment_variables_double_quotes'...
.. autodoc2-docstring:: aiida.schedulers.datastructures.JobTemplate._default_fields
.. py:class:: MachineInfo(dictionary=None)
:canonical: aiida.schedulers.datastructures.MachineInfo
Bases: :py:obj:`aiida.common.extendeddicts.DefaultFieldsAttributeDict`
.. autodoc2-docstring:: aiida.schedulers.datastructures.MachineInfo
.. rubric:: Initialization
.. autodoc2-docstring:: aiida.schedulers.datastructures.MachineInfo.__init__
.. py:attribute:: _default_fields
:canonical: aiida.schedulers.datastructures.MachineInfo._default_fields
:value: ('name', 'num_mpiprocs', 'num_cpus')
.. autodoc2-docstring:: aiida.schedulers.datastructures.MachineInfo._default_fields
.. py:class:: NodeNumberJobResource(**kwargs)
:canonical: aiida.schedulers.datastructures.NodeNumberJobResource
Bases: :py:obj:`aiida.schedulers.datastructures.JobResource`
.. autodoc2-docstring:: aiida.schedulers.datastructures.NodeNumberJobResource
.. rubric:: Initialization
.. autodoc2-docstring:: aiida.schedulers.datastructures.NodeNumberJobResource.__init__
.. py:attribute:: _default_fields
:canonical: aiida.schedulers.datastructures.NodeNumberJobResource._default_fields
:value: ('num_machines', 'num_mpiprocs_per_machine', 'num_cores_per_machine', 'num_cores_per_mpiproc')
.. autodoc2-docstring:: aiida.schedulers.datastructures.NodeNumberJobResource._default_fields
.. py:method:: validate_resources(**kwargs)
:canonical: aiida.schedulers.datastructures.NodeNumberJobResource.validate_resources
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.NodeNumberJobResource.validate_resources
.. py:method:: get_valid_keys()
:canonical: aiida.schedulers.datastructures.NodeNumberJobResource.get_valid_keys
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.NodeNumberJobResource.get_valid_keys
.. py:method:: accepts_default_mpiprocs_per_machine()
:canonical: aiida.schedulers.datastructures.NodeNumberJobResource.accepts_default_mpiprocs_per_machine
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.NodeNumberJobResource.accepts_default_mpiprocs_per_machine
.. py:method:: get_tot_num_mpiprocs()
:canonical: aiida.schedulers.datastructures.NodeNumberJobResource.get_tot_num_mpiprocs
.. autodoc2-docstring:: aiida.schedulers.datastructures.NodeNumberJobResource.get_tot_num_mpiprocs
.. py:class:: ParEnvJobResource(**kwargs)
:canonical: aiida.schedulers.datastructures.ParEnvJobResource
Bases: :py:obj:`aiida.schedulers.datastructures.JobResource`
.. autodoc2-docstring:: aiida.schedulers.datastructures.ParEnvJobResource
.. rubric:: Initialization
.. autodoc2-docstring:: aiida.schedulers.datastructures.ParEnvJobResource.__init__
.. py:attribute:: _default_fields
:canonical: aiida.schedulers.datastructures.ParEnvJobResource._default_fields
:value: ('parallel_env', 'tot_num_mpiprocs')
.. autodoc2-docstring:: aiida.schedulers.datastructures.ParEnvJobResource._default_fields
.. py:method:: validate_resources(**kwargs)
:canonical: aiida.schedulers.datastructures.ParEnvJobResource.validate_resources
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.ParEnvJobResource.validate_resources
.. py:method:: accepts_default_mpiprocs_per_machine()
:canonical: aiida.schedulers.datastructures.ParEnvJobResource.accepts_default_mpiprocs_per_machine
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.datastructures.ParEnvJobResource.accepts_default_mpiprocs_per_machine
.. py:method:: get_tot_num_mpiprocs()
:canonical: aiida.schedulers.datastructures.ParEnvJobResource.get_tot_num_mpiprocs
.. autodoc2-docstring:: aiida.schedulers.datastructures.ParEnvJobResource.get_tot_num_mpiprocs
.. py:class:: Scheduler()
:canonical: aiida.schedulers.scheduler.Scheduler
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler
.. rubric:: Initialization
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.__init__
.. py:attribute:: _logger
:canonical: aiida.schedulers.scheduler.Scheduler._logger
:value: None
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._logger
.. py:attribute:: _features
:canonical: aiida.schedulers.scheduler.Scheduler._features
:type: typing.Dict[str, bool]
:value: None
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._features
.. py:attribute:: _job_resource_class
:canonical: aiida.schedulers.scheduler.Scheduler._job_resource_class
:type: typing.Type[aiida.schedulers.datastructures.JobResource]
:value: None
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._job_resource_class
.. py:method:: __str__()
:canonical: aiida.schedulers.scheduler.Scheduler.__str__
.. py:method:: preprocess_resources(resources, default_mpiprocs_per_machine=None)
:canonical: aiida.schedulers.scheduler.Scheduler.preprocess_resources
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.preprocess_resources
.. py:method:: validate_resources(**resources)
:canonical: aiida.schedulers.scheduler.Scheduler.validate_resources
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.validate_resources
.. py:method:: get_short_doc()
:canonical: aiida.schedulers.scheduler.Scheduler.get_short_doc
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.get_short_doc
.. py:method:: get_feature(feature_name: str) -> bool
:canonical: aiida.schedulers.scheduler.Scheduler.get_feature
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.get_feature
.. py:property:: logger
:canonical: aiida.schedulers.scheduler.Scheduler.logger
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.logger
.. py:method:: job_resource_class() -> typing.Type[aiida.schedulers.datastructures.JobResource]
:canonical: aiida.schedulers.scheduler.Scheduler.job_resource_class
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.job_resource_class
.. py:method:: create_job_resource(**kwargs)
:canonical: aiida.schedulers.scheduler.Scheduler.create_job_resource
:classmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.create_job_resource
.. py:method:: get_submit_script(job_tmpl)
:canonical: aiida.schedulers.scheduler.Scheduler.get_submit_script
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.get_submit_script
.. py:method:: _get_submit_script_environment_variables(template)
:canonical: aiida.schedulers.scheduler.Scheduler._get_submit_script_environment_variables
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._get_submit_script_environment_variables
.. py:method:: _get_submit_script_header(job_tmpl)
:canonical: aiida.schedulers.scheduler.Scheduler._get_submit_script_header
:abstractmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._get_submit_script_header
.. py:method:: _get_submit_script_footer(job_tmpl)
:canonical: aiida.schedulers.scheduler.Scheduler._get_submit_script_footer
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._get_submit_script_footer
.. py:method:: _get_run_line(codes_info, codes_run_mode)
:canonical: aiida.schedulers.scheduler.Scheduler._get_run_line
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._get_run_line
.. py:method:: _get_joblist_command(jobs=None, user=None)
:canonical: aiida.schedulers.scheduler.Scheduler._get_joblist_command
:abstractmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._get_joblist_command
.. py:method:: _get_detailed_job_info_command(job_id)
:canonical: aiida.schedulers.scheduler.Scheduler._get_detailed_job_info_command
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._get_detailed_job_info_command
.. py:method:: get_detailed_job_info(job_id)
:canonical: aiida.schedulers.scheduler.Scheduler.get_detailed_job_info
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.get_detailed_job_info
.. py:method:: _parse_joblist_output(retval, stdout, stderr)
:canonical: aiida.schedulers.scheduler.Scheduler._parse_joblist_output
:abstractmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._parse_joblist_output
.. py:method:: get_jobs(jobs=None, user=None, as_dict=False)
:canonical: aiida.schedulers.scheduler.Scheduler.get_jobs
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.get_jobs
.. py:property:: transport
:canonical: aiida.schedulers.scheduler.Scheduler.transport
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.transport
.. py:method:: set_transport(transport)
:canonical: aiida.schedulers.scheduler.Scheduler.set_transport
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.set_transport
.. py:method:: _get_submit_command(submit_script)
:canonical: aiida.schedulers.scheduler.Scheduler._get_submit_command
:abstractmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._get_submit_command
.. py:method:: _parse_submit_output(retval, stdout, stderr)
:canonical: aiida.schedulers.scheduler.Scheduler._parse_submit_output
:abstractmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._parse_submit_output
.. py:method:: submit_from_script(working_directory, submit_script)
:canonical: aiida.schedulers.scheduler.Scheduler.submit_from_script
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.submit_from_script
.. py:method:: kill(jobid)
:canonical: aiida.schedulers.scheduler.Scheduler.kill
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.kill
.. py:method:: _get_kill_command(jobid)
:canonical: aiida.schedulers.scheduler.Scheduler._get_kill_command
:abstractmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._get_kill_command
.. py:method:: _parse_kill_output(retval, stdout, stderr)
:canonical: aiida.schedulers.scheduler.Scheduler._parse_kill_output
:abstractmethod:
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler._parse_kill_output
.. py:method:: parse_output(detailed_job_info=None, stdout=None, stderr=None)
:canonical: aiida.schedulers.scheduler.Scheduler.parse_output
.. autodoc2-docstring:: aiida.schedulers.scheduler.Scheduler.parse_output
.. py:class:: SchedulerError
:canonical: aiida.schedulers.scheduler.SchedulerError
Bases: :py:obj:`aiida.common.exceptions.AiidaException`
.. autodoc2-docstring:: aiida.schedulers.scheduler.SchedulerError
.. py:class:: SchedulerParsingError
:canonical: aiida.schedulers.scheduler.SchedulerParsingError
Bases: :py:obj:`aiida.schedulers.scheduler.SchedulerError`
.. autodoc2-docstring:: aiida.schedulers.scheduler.SchedulerParsingError
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