Command line interface#
The command line interface utility for AiiDA is called
This section explains the basic concepts that apply to all
verdi commands come in two flavors:
Arguments: positional parameters, e.g.
verdi process kill 123
Options: announced by a flag (e.g.
--flag), potentially followed by a value. E.g.
verdi process list --limit 10or
verdi process -h.
verdi commands provide options that can take multiple values.
This allows to avoid repetition and e.g. write:
verdi archive create -N 10 11 12 -- archive.aiida
instead of the more lengthy:
verdi archive create -N 10 -N 11 -N 12 archive.aiida
Note the use of the so-called ‘endopts’ marker
-- that is necessary to mark the end of the
-N option and distinguish it from the
--help option to any verdi (sub-)command to get help on how to use it.
verdi process kill --help shows:
Usage: verdi process kill [OPTIONS] [PROCESSES]... Kill running processes. Options: -t, --timeout FLOAT Time in seconds to wait for a response before timing out. [default: 5.0] --wait / --no-wait Wait for the action to be completed otherwise return as soon as it's scheduled. -h, --help Show this message and exit.
All help strings consist of three parts:
Usage:line describing how to invoke the command
A description of the command’s functionality
A list of the available options
Usage: line encodes information on the command’s parameters, e.g.:
[OPTIONS]: this command takes one (or more) options
PROCESSES: this command requires a process as a positional argument
[PROCESSES]: this command takes a process as an optional positional argument
[PROCESSES]...: this command takes one or more processes as optional positional arguments
Multi-value options are followed by
... in the help string and the
Usage: line of the corresponding command will contain the ‘endopts’ marker.
Usage: verdi archive create [OPTIONS] [--] OUTPUT_FILE Export various entities, such as Codes, Computers, Groups and Nodes, to an archive file for backup or sharing purposes. Options: -X, --codes CODE... one or multiple codes identified by their ID, UUID or label -Y, --computers COMPUTER... one or multiple computers identified by their ID, UUID or label -G, --groups GROUP... one or multiple groups identified by their ID, UUID or name -N, --nodes NODE... one or multiple nodes identified by their ID or UUID ...
AiiDA supports multiple profiles per installation, one of which is marked as the default and used unless another profile is requested. Show the current default profile using:
verdi profile list
In order to use a different profile, pass the
-p/--profile option to any
verdi command, for example:
verdi -p <profile> process list
Note that the specified profile will be used for this and only this command.
verdi profile setdefault in order to permanently change the default profile.
verdi commands have the
-v/--verbosity option, which allows to control the verbosity of the output that is printed by the command.
The option takes a value that is known as the log level and all messages that are emitted with an inferior log level will be suppressed.
The valid values in order of increasing log level are: NOTSET, DEBUG, INFO, REPORT, WARNING, ERROR and CRITICAL.
For example, if the log level is set to
ERROR, only messages with the
CRITICAL level will be shown.
The choice for these log level values comes directly from Python’s built-in logging module.
REPORT level is a log level that is defined and added by AiiDA that sits between the
WARNING level, and is the default log level.
The verbosity option is case-insensitive, i.e.,
--verbosity debug and
--verbosity DEBUG are identical.
The option can be passed at any subcommand level, for example:
verdi process list --verbosity debug
is identical to
verdi --verbosity debug process list
When the option is specified multiple times, only the last value will be considered.
When working with AiiDA entities, you need a way to refer to them on the command line. Any entity in AiiDA can be addressed via three identifiers:
“Primary Key” (PK): An integer, e.g.
723, identifying your entity within your database (automatically assigned)
Universally Unique Identifier (UUID): A string, e.g.
ce81c420-7751-48f6-af8e-eb7c6a30cec3identifying your entity globally (automatically assigned)
Label: A human-readable string, e.g.
PKs are easy to type and work as long as you stay within your database. When sharing data with others, however, always use UUIDs.
verdi command that expects an identifier as a paramter will accept PKs, UUIDs and labels.
In almost all cases, this will work out of the box. Since command line parameters are passed as strings, AiiDA needs to deduce the type of identifier from its content, which can fail in edge cases (see Implementation of identifier resolution for details). You can take the following precautions in order to avoid such edge cases:
PK: no precautions needed
UUID: no precautions needed for full UUIDs. Partial UUIDs should include at least one non-numeric character or dash
Label: add an exclamation mark
!at the end of the identifier in order to force interpretation as a label
Implementation of identifier resolution#
The logic for deducing the identifier type is as follows:
Try interpreting the identifier as a PK (integer)
If this fails, try interpreting the identifier as a UUID (full or partial)
If this fails, interpret the identifier as a label
The following example illustrates edge cases that can arise in this logic:
trying to identify the first entity by its partial UUID
12would match the third entity by its PK instead
trying to identify the second entity by its label
10would match the first entity by its PK instead
trying to identify the third entity by its label
deadbeefwould match the second entity on its partial UUID
The ambiguity between a partial UUID and a PK can always be resolved by including a longer substring of the UUID, eventually rendering the identifier no longer a valid PK.
The case of a label being also a valid PK or (partial) UUID requires a different solution.
For this case,
verdi reserves a special character, the exclamation mark
!, that can be appended to the identifier.
Before any type guessing is done, AiiDA checks for the presence of this marker and, if found, will interpret the identifier as a label.
I.e. to solve ambiguity examples mentioned above, one would pass