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 Configure ASAP 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.
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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.
- Continue if possible. Check this tickbox to read the density matrix stored in file SystemLabel.DM by a previous run.
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.
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Press the Run button to execute the calculation.
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The tab Calculator output shows the complete calculation output in
real-time.
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The tab Task output shows relevant information (dependent on the project
type) in real-time.
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Press the Run directory… button to open the folder containing the
calculation output files.
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Press the Reset button if you want to remove the calculation output
files.
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When the calculation is completed, you can select the Exit and analyse button to open the analysis widget.
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Additionally, the remote folder path can be easily obtained from the Run widget and pasted in any terminal.
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