Command Line

There’s a few command line tools shipped with pyiron to help administrating and keeping up with your pyiron project as well as some that are used internally. All of them are installed by default in the pyiron script that has a few sub commands.

  • pyiron install Installs the pyiron resources for the first time, if you don’t get them via conda.

  • pyiron ls List the jobs inside a project and filter them with a few primitives Print the run time of all finished jobs

    pyiron ls -c job totalcputime -s finished

    Print all jobs with iron

    pyiron ls -e Fe

    Print all jobs that successfully finished yesterday and a bit

    pyiron ls -s finished -i 1d5h

    Print all jobs that were aborted less than 5 hours ago and match spx.*restart:

    pyiron ls -n "spx.*restart" -i 5h -s aborted
  • pyiron rm Delete jobs and whole projects from the database and the file system. If you simply rm jobs and projects they are still in the database and can lead to confusion on pyiron’s part.

  • pyiron wrapper Runs jobs from the database. pyiron uses this internally to start jobs on the remote cluster nodes, but you can also use it when you set the run mode to manual or to manually re-run jobs.