Import Command Line Jobs to Web Interface¶
This tutorial explains how to import the results of a job run via command-line interface to the main Web Interface.
When this feature is employed, the job output files are extracted and available for analysis in the web interface under the Files Tab of Job Viewer.
1. Understand job script requirements¶
The content of the job batch script file is used to collect job information and create an entry inside the web interface. Only simple job scripts containing a single execution command are supported. The script content should be properly formatted and straightforward.
Sample job script files for running Job simulations via Command Line Interface can be used as templates. The general structure of such scripts is explained here.
Keep job scripts simple
Complex formatting and extra indentations or spacing in the job script should be avoided.
2. Open the Web Terminal¶
Navigate to the Web Terminal for accessing the command-line interface.
3. Import new job results¶
In order to submit a new job through the command-line interface and view the corresponding output files under the Web Interface, the following directive should be added to the job submission script:
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Default Behavior
The #PBS -R y directive is always enabled by default, but can still be added manually as a failsafe.
This directive instructs the software to parse the output of the calculation and send back the results to the web interface. After adding this directive, the job can be submitted as usual.
Once the job starts executing, the job entry is visible in the web interface under Jobs Explorer, where the status of its execution can be monitored.
This feature can be disabled by inserting the following directive instead:
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4. Video walkthrough¶
The animation below first navigates to a directory under the command-line interface where the contents of the VASP template Job have been copied. The job submission script is edited to insert the #PBS -R y directive for completeness (though this directive is already enabled by default).
The job status is then monitored under Jobs Explorer in the Web Interface.