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Import Command Line Jobs to Web Interface

The present tutorial page explains how to import the results of a job run via command-line interface to the main Web Interface of our platform.

When this feature is employed, the user can directly see the job output files automatically extracted and available for analysis in the web interface, under the Files Tab of Job Viewer.

Job Submission Scripts

We use the content of the job submission script file in order to collect job information and create an entry for it inside the web interface. Currently, only simple job scripts containing a single execution command are supported. Hence, the user should make sure that the script's content is properly formatted and straightforward.

Work in Progress

In the future, we will attempt to extract the properties in a more sophisticated way, including making them available under the Results Tab of Job Viewer.

In this page, the reader can find sample job script files for running Job simulations via Command Line Interface that can be used as template. The general structure of such scripts is instead explained here.

Simple job scripts

Please avoid using complex formatting and extra indentations or spacing in the job script.

Open Web Terminal

First, navigate to the Web Terminal for accessing the command-line interface of our platform.

Import New Job Results

In order to a submit a new job through command-line interface, and then view the corresponding output files under the Web Interface, the following directive should be added to the job submission script.

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#PBS -R y

Default Behaviour

The #PBS -R y directive is always enabled by default, but it can still be added manually as a failsafe.

This directive instructs our software to automatically parse the output of the calculation, and send back the results to the web interface. After adding this directive, the job can then be submitted as usual.

Once the job starts executing, the user should be able to see the job entry in the web interface under Jobs Explorer, and thus monitor the corresponding status of its execution.

This feature can conversely be disabled by inserting the following other directive option in the job submission script.

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#PBS -R n

Animation

In the below video, we first navigate to a directory under the command-line interface where we have copied the contents of the VASP template Job. Here, we edit the job submission script to insert the aforementioned #PBS -R y directive for completeness, even though as explained earlier this directive is already enabled by default.

This allows us to monitor the job status under Jobs Explorer in Web Interface, which we inspect towards the end of the animation.