The verdi commands

For some the most common operations on the AiiDA software, you can work directly on the command line using the set of verdi commands. You already used the verdi install when installing the software. There are quite some more functionalities attached to this command, here’s a list:

  • calculation: query and interact with calculations
  • code: setup and manage codes to be used
  • comment: manage general properties of nodes in the database
  • completioncommand: return the bash completion function to put in ~/.bashrc
  • computer: setup and manage computers to be used
  • daemon: manage the AiiDA daemon
  • data: setup and manage data specific types
  • devel: AiiDA commands for developers
  • export: export nodes and group of nodes
  • group: setup and manage groups
  • import: export nodes and group of nodes
  • install: install/setup aiida for the current user
  • node: manage operations on AiiDA nodes
  • run: execute an AiiDA script
  • runserver: run the AiiDA webserver on localhost
  • shell: run the interactive shell with the Django environment
  • user: list and configure new AiiDA users.
  • workflow: manage the AiiDA worflow manager

Following below, a list with the subcommands available.

verdi calculation

  • kill: stop the execution on the cluster of a calculation.
  • logshow: shows the logs/errors produced by a calculation
  • plugins: lists the supported calculation plugins
  • inputcat: shows an input file of a calculation node.
  • inputls: shows the list of the input files of a calculation node.
  • list: list the AiiDA calculations. By default, lists only the running calculations.
  • outputcat: shows an ouput file of a calculation node.
  • outputls: shows the list of the output files of a calculation node.
  • show: shows the database information related to the calculation: used code, all the input nodes and all the output nodes.
  • gotocomputer: open a shell to the calc folder on the cluster
  • label: view / set the label of a calculation
  • description: view / set the description of a calculation


When using gotocomputer, be careful not to change any file that AiiDA created, nor to modify the output files or resubmit the calculation, unless you really know what you are doing, otherwise AiiDA may get very confused!

verdi code

  • show: shows the information of the installed code.
  • list: lists the installed codes
  • hide: hide codes from verdi code list
  • reveal: un-hide codes for verdi code list
  • setup: setup a new code
  • relabel: change the label (name) of a code. If you like to load codes based on their labels and not on their UUID’s or PK’s, take care of using unique labels!
  • update: change (some of) the installation description of the code given at the moment of the setup.
  • delete: delete a code from the database. Only possible for disconnected codes (i.e. a code that has not been used yet)

verdi comment

Manages the comments attached to a database node.

  • add: add a new comment
  • update: change an existing comment
  • remove: remove a comment
  • show: show the comments attached to a node.

verdi completioncommand

Prints the string to be copied and pasted to the bashrc in order to allow for autocompletion of the verdi commands.

verdi computer

  • setup: creates a new computer object
  • configure: set up some extra info that can be used in the connection with that computer.
  • enable: to enable a computer. If the computer is disabled, the daemon will not try to connect to the computer, so it will not retrieve or launch calculations. Useful if a computer is under mantainance.
  • rename: changes the name of a computer.
  • disable: disable a computer (see enable for a larger description)
  • show: shows the details of an installed computer
  • list: list all installed computers
  • delete: deletes a computer node. Works only if the computer node is a disconnected node in the database (has not been used yet)
  • test: tests if the current user (or a given user) can connect to the computer and if basic operations perform as expected (file copy, getting the list of jobs in the scheduler queue, ...)

verdi daemon

Manages the daemon, i.e. the process that runs in background and that manages submission/retrieval of calculations.

  • status: see the status of the daemon. Typically, it will either show Daemon not running or you will see two processes with state RUNNING.
  • stop: stops the daemon
  • configureuser: sets the user which is running the daemon. See the installation guide for more details.
  • start: starts the daemon.
  • logshow: show the last lines of the daemon log (use for debugging)
  • restart: restarts the daemon.

verdi data

Manages database data objects.

  • upf: handles the Pseudopotential Datas
    • listfamilies: list presently stored families of pseudopotentials
    • uploadfamily: install a new family (group) of pseudopotentials
    • import: create or return (if already present) a database node, having the contents of a supplied file
  • structure: handles the StructureData
    • list: list currently saved nodes of StructureData kind
    • show: use a third-party visualizer (like vmd or xcrysden) to graphically show the StructureData
    • export: export the node as a string of a specified format
  • parameter: handles the ParameterData objects
    • show: output the content of the python dictionary in different formats.
  • cif: handles the CifData objects
    • list: list currently saved nodes of CifData kind
    • show: use third-party visualizer (like jmol) to graphically show the CifData
    • import: create or return (if already present) a database node, having the contents of a supplied file
    • export: export the node as a string of a specified format
  • trajectory: handles the TrajectoryData objects
    • list: list currently saved nodes of TrajectoryData kind
    • show: use third-party visualizer (like jmol) to graphically show the TrajectoryData
    • export: export the node as a string of a specified format
  • label: view / set the label of a data
  • description: view / set the description of a data

verdi devel

Here there are some functions that are in the development stage, and that might eventually find their way outside of this placeholder. As such, they are buggy, possibly difficult to use, not necessarily documented, and they might be subject to non back-compatible changes.

verdi export

Export data from the AiiDA database to a file. See also verdi import to import this data on another database.

verdi group

  • list: list all the groups in the database.

verdi import

Imports data (coming from other AiiDA databases) in the current database

verdi install

Used in the installation to configure the database. If it finds an already installed database, it updates the tables migrating them to the new schema.

verdi node

  • repo: Show files and their contents in the local repository
  • show: Show basic node information (PK, UUID, class, inputs and outputs)

verdi run

Run a python script for AiiDA. This is the command line equivalent of the verdi shell. Has also features of autogroupin: by default, every node created in one a call of verdi run will be grouped together.

verdi runserver

Starts a lightweight Web server for development and also serves static files. Currently in ongoing development.

verdi shell

Runs a Python interactive interpreter. Tries to use IPython or bpython, if one of them is available. Loads on start a good part of the AiiDA infrastructure.

verdi user

Manages the AiiDA users. Two valid subcommands.

  • list: list existing users configured for your AiiDA installation.
  • configure: configure a new AiiDA user.

verdi workflow

Manages the workflow. Valid subcommands:

  • report: display the information on how the workflow is evolving.
  • kill: kills a workflow.
  • list: lists the workflows present in the database. By default, shows only the running ones.