Upload an External command-line Job¶
This page explains how to initiate an External Upload to parse and organize a folder with a data from an external calculation.
In the present example we use example data from a VASP calculation, however the directives work for other simulation engines too.
Prepare an archive¶
First, arrange all the files inside a folder. Then create a .zip archive with the data. On a UNIX-based operating system this could be done in command line or righ-hand context menu. The command-line routine could be, for example:
cd JOB_DIRECTORY zip -r9 ../archive.zip .
Open Upload Dialog¶
Navigate to the External Uploads Explorer page and initiate the upload task creation. Inside the Upload Dialog one can set the name of the and its human-readable description as desired. These will be used for the Job created inside the External Project when the upload is complete.
Fill the form data¶
Submit the dialog¶
Use the file selector to select the archive prepared in the previous step. When finished, click "Submit" button to initiate the upload.
View the External Job¶
Wait for the task to finish¶
The status of the upload will be set to "A" - active, while the upload task is in progress. When the task finished, the status will change to "F" - finished.
Navigate into External Project¶
View the latest Job¶
The latest job inside the project is the one containing the uploaded data. The platform will attempt to extract the Materials, Properties, input/output files and administrative information about the job and make it available in the same manner as for the jobs originating inside the platform.
In the following animation, we demonstrate the above-mentioned steps: we create a non-nested ".zip" archive from the calculation data, upload it to the platform and view the Job (with Materials and Properties) created inside the "External" project as a result.