aiida.engine.daemon package

Submodules

Controls the daemon

class aiida.engine.daemon.client.ControllerProtocol

Bases: enum.Enum

The protocol to use to for the controller of the Circus daemon

IPC = 0

TCP = 1

__module__ = 'aiida.engine.daemon.client'

class aiida.engine.daemon.client.DaemonClient(profile)

Bases: object

Extension of the Profile which also provides handles to retrieve profile specific properties related to the daemon client

DAEMON_ERROR_NOT_RUNNING = 'daemon-error-not-running'

DAEMON_ERROR_TIMEOUT = 'daemon-error-timeout'

_DAEMON_NAME = 'aiida-{name}'

_DEFAULT_LOGLEVEL = 'INFO'

_ENDPOINT_PROTOCOL = 0

__dict__ = dict_proxy({'__module__': 'aiida.engine.daemon.client', 'loglevel': <property object>, 'get_stats_endpoint': <function get_stats_endpoint>, 'get_worker_info': <function get_worker_info>, 'get_tcp_endpoint': <function get_tcp_endpoint>, 'get_ipc_endpoint': <function get_ipc_endpoint>, '__dict__': <attribute '__dict__' of 'DaemonClient' objects>, 'get_status': <function get_status>, 'daemon_log_file': <property object>, '_DEFAULT_LOGLEVEL': 'INFO', 'get_circus_port': <function get_circus_port>, '__weakref__': <attribute '__weakref__' of 'DaemonClient' objects>, '__init__': <function __init__>, 'virtualenv': <property object>, 'circus_port_file': <property object>, 'circus_pid_file': <property object>, 'decrease_workers': <function decrease_workers>, 'get_controller_endpoint': <function get_controller_endpoint>, 'DAEMON_ERROR_TIMEOUT': 'daemon-error-timeout', 'increase_workers': <function increase_workers>, 'circus_socket_file': <property object>, 'circus_socket_endpoints': <property object>, 'stop_daemon': <function stop_daemon>, 'get_circus_socket_directory': <function get_circus_socket_directory>, 'profile': <property object>, 'delete_circus_socket_directory': <function delete_circus_socket_directory>, 'get_pubsub_endpoint': <function get_pubsub_endpoint>, 'call_client': <function call_client>, 'daemon_name': <property object>, 'cmd_string': <property object>, 'circus_log_file': <property object>, 'DAEMON_ERROR_NOT_RUNNING': 'daemon-error-not-running', '_DAEMON_NAME': 'aiida-{name}', 'is_daemon_running': <property object>, 'get_available_port': <classmethod object>, 'daemon_pid_file': <property object>, '__doc__': '\n Extension of the Profile which also provides handles to retrieve profile specific\n properties related to the daemon client\n ', '_ENDPOINT_PROTOCOL': <ControllerProtocol.IPC: 0>, 'client': <property object>, 'get_daemon_info': <function get_daemon_info>, 'restart_daemon': <function restart_daemon>, 'get_daemon_pid': <function get_daemon_pid>})

__init__(profile)

Construct a DaemonClient instance for a given profile

Parameters:profile – the profile instance aiida.manage.configuration.profile.Profile

__module__ = 'aiida.engine.daemon.client'

__weakref__

list of weak references to the object (if defined)

call_client(command)

Call the client with a specific command. Will check whether the daemon is running first by checking for the pid file. When the pid is found yet the call still fails with a timeout, this means the daemon was actually not running and it was terminated unexpectedly causing the pid file to not be cleaned up properly

Parameters:command – command to call the circus client with Returns:the result of the circus client call

circus_log_file

circus_pid_file

circus_port_file

circus_socket_endpoints

circus_socket_file

client

Return an instance of the CircusClient with the endpoint defined by the controller endpoint, which used the port that was written to the port file upon starting of the daemon

Returns:CircucClient instance

cmd_string

Return the command string to start the AiiDA daemon

daemon_log_file

daemon_name

Get the daemon name which is tied to the profile name

daemon_pid_file

decrease_workers(number)

Decrease the number of workers

Parameters:number – the number of workers to remove Returns:the client call response

delete_circus_socket_directory()

Attempt to delete the directory used to store the circus endpoint sockets. Will not raise if the directory does not exist

classmethod get_available_port()

Get an available port from the operating system

Returns:a currently available port

get_circus_port()

Retrieve the port for the circus controller, which should be written to the circus port file. If the daemon is running, the port file should exist and contain the port to which the controller is connected. If it cannot be read, a RuntimeError will be thrown. If the daemon is not running, an available port will be requested from the operating system, written to the port file and returned

Returns:the port for the circus controller

get_circus_socket_directory()

Retrieve the absolute path of the directory where the circus sockets are stored if the IPC protocol is used and the daemon is running. If the daemon is running, the sockets file should exist and contain the absolute path of the directory that contains the sockets of the circus endpoints. If it cannot be read, a RuntimeError will be thrown. If the daemon is not running, a temporary directory will be created and its path will be written to the sockets file and returned.

Note

A temporary folder needs to be used for the sockets because UNIX limits the filepath length to 107 bytes. Placing the socket files in the AiiDA config folder might seem like the more logical choice but that folder can be placed in an arbitrarily nested directory, the socket filename will exceed the limit. The solution is therefore to always store them in the temporary directory of the operation system whose base path is typically short enough as to not exceed the limit

Returns:the absolute path of directory to write the sockets to

get_controller_endpoint()

Get the endpoint string for the circus controller. For the IPC protocol a profile specific socket will be used, whereas for the TCP protocol an available port will be found and saved in the profile specific port file

Returns:the endpoint string

get_daemon_info()

Get statistics about this daemon itself

Returns:the client call response

get_daemon_pid()

Get the daemon pid which should be written in the daemon pid file specific to the profile

Returns:the pid of the circus daemon process or None if not found

get_ipc_endpoint(endpoint)

Get the ipc endpoint string for a circus daemon endpoint for a given socket

Parameters:endpoint – the circus endpoint for which to return a socket Returns:the ipc endpoint string

get_pubsub_endpoint()

Get the endpoint string for the circus pubsub endpoint. For the IPC protocol a profile specific socket will be used, whereas for the TCP protocol any available port will be used

Returns:the endpoint string

get_stats_endpoint()

Get the endpoint string for the circus stats endpoint. For the IPC protocol a profile specific socket will be used, whereas for the TCP protocol any available port will be used

Returns:the endpoint string

get_status()

Get the daemon running status

Returns:the client call response

get_tcp_endpoint(port=None)

Get the tcp endpoint string for a circus daemon endpoint. If the port is unspecified, the operating system will be asked for a currently available port.

Parameters:port – a port to use for the endpoint Returns:the tcp endpoint string

get_worker_info()

Get workers statistics for this daemon

Returns:the client call response

increase_workers(number)

Increase the number of workers

Parameters:number – the number of workers to add Returns:the client call response

is_daemon_running

Return whether the daemon is running, which is determined by seeing if the daemon pid file is present

Returns:True if daemon is running, False otherwise

loglevel

profile

restart_daemon(wait)

Restart the daemon

Parameters:wait – boolean to indicate whether to wait for the result of the command Returns:the client call response

stop_daemon(wait)

Stop the daemon

Parameters:wait – boolean to indicate whether to wait for the result of the command Returns:the client call response

virtualenv

aiida.engine.daemon.client.get_daemon_client(profile_name=None)

Return the daemon client for the given profile or the current profile if not specified.

Parameters:

profile_name – the profile name, will use the current profile if None

Returns:

the daemon client

Return type:

aiida.engine.daemon.client.DaemonClient

Raises:

• aiida.common.MissingConfigurationError – if the configuration file cannot be found
• aiida.common.ProfileConfigurationError – if the given profile does not exist

This file contains the main routines to submit, check and retrieve calculation results. These are general and contain only the main logic; where appropriate, the routines make reference to the suitable plugins for all plugin-specific operations.

aiida.engine.daemon.execmanager._retrieve_singlefiles(job, transport, folder, retrieve_file_list, logger_extra=None)

aiida.engine.daemon.execmanager.kill_calculation(calculation, transport)

Kill the calculation through the scheduler

Parameters:

• calculation – the instance of CalcJobNode to kill.
• transport – an already opened transport to use to address the scheduler

aiida.engine.daemon.execmanager.parse_results(process, retrieved_temporary_folder=None)

Parse the results for a given CalcJobNode (job)

Returns:integer exit code, where 0 indicates success and non-zero failure

aiida.engine.daemon.execmanager.retrieve_calculation(calculation, transport, retrieved_temporary_folder)

Retrieve all the files of a completed job calculation using the given transport.

If the job defined anything in the retrieve_temporary_list, those entries will be stored in the retrieved_temporary_folder. The caller is responsible for creating and destroying this folder.

Parameters:

• calculation – the instance of CalcJobNode to update.
• transport – an already opened transport to use for the retrieval.
• retrieved_temporary_folder – the absolute path to a directory in which to store the files listed, if any, in the retrieved_temporary_folder of the jobs CalcInfo

aiida.engine.daemon.execmanager.retrieve_files_from_list(calculation, transport, folder, retrieve_list)

Retrieve all the files in the retrieve_list from the remote into the local folder instance through the transport. The entries in the retrieve_list can be of two types:

• a string
• a list

If it is a string, it represents the remote absolute filepath of the file. If the item is a list, the elements will correspond to the following:

• remotepath
• localpath
• depth

If the remotepath contains file patterns with wildcards, the localpath will be treated as the work directory of the folder and the depth integer determines upto what level of the original remotepath nesting the files will be copied.

Parameters:

• transport – the Transport instance
• folder – an absolute path to a folder to copy files in
• retrieve_list – the list of files to retrieve

aiida.engine.daemon.execmanager.submit_calculation(calculation, transport, calc_info, script_filename)

Submit a calculation

Parameters:

• calculation – the instance of CalcJobNode to submit.
• transport – an already opened transport to use to submit the calculation.
• calc_info – the calculation info datastructure returned by CalcJobNode._presubmit
• script_filename – the job launch script returned by CalcJobNode._presubmit

aiida.engine.daemon.execmanager.upload_calculation(node, transport, calc_info, script_filename)

Upload a CalcJob instance

Parameters:

• node – the CalcJobNode.
• transport – an already opened transport to use to submit the calculation.
• calc_info – the calculation info datastructure returned by CalcJobNode.presubmit
• script_filename – the job launch script returned by CalcJobNode.presubmit

Function that starts a daemon runner.

aiida.engine.daemon.runner.start_daemon()

Start a daemon runner for the currently configured profile