Ctrl+K

The run widget

The run widget#

The Run widget facilitates the submission of a calculation to a local computer or a remote server. Before using the Run widget, see chapter Runners for information on computational resources configuration in ASAP.
Select a project in the project tray, and click on the Run icon to open the Run widget.
Run widget run select
Run widget

The Run widget offers the following options:

  • Preview input. Press this button to view the created SIESTA.FDF input file. See subsection Preview input file for further information on .FDF file.

    Run widget preview input
    Run widget preview input fdf
  • Continue if possible. Check this tickbox to read the density matrix stored in file SystemLabel.DM by a previous run.
    Run widget restart

Select where to run the calculation using the dropdown menu situated on the top-left side of the widget. See section Managing local and remote runners for further information about adding new local and remote runners.

Run widget select configuration
Press the Run button to execute the calculation.
Run widget run
The tab Calculator output shows the complete calculation output in real-time.
Run widget tab output
The tab Task output shows relevant information (dependent on the project type) in real-time.
Run widget tab task
Press the Run directory… button to open the folder containing the calculation output files.
Run widget open run directory
Press the Reset button if you want to remove the calculation output files.
Run widget reset

When the calculation is completed, you can select the Exit and analyse button to open the analysis widget.

Run widget exit analyse

Additionally, the remote folder path can be easily obtained from the Run widget and pasted in any terminal.

Run widget remote directory