Purpose: explore exciting@web. Get oriented in the exciting input file with the help of the interactive editor.
The exciting@web application consists of a GUI to edit and create exciting input files, an interface to submit and monitor exciting calculations, as well as a database to store, query, and visualize data. The structures are visualized and plots are directly displayed in the browser.
The start page is the browse page which allows the user to find and visualize the stored calculations. In order to navigate through the database one is provided with a keyword cloud. Selecting keywords allows for successively narrowing down the data set. The remaining entries that match all selected keywords are displayed in a list.
A click on the title of a listed item brings up the input page of the selected calculation. The "info" Link gives a view on the results from the ground state calculation. Eventual properties have their own page, including visualizations and downloads in a selection of formats.
After the login there appear a couple of extra menu items:
- private data sets
- prepare and submit input files
- survy running jobs
- upload data from your local computer to the database
Edit exciting Inputs
New files are created by copying one of the stored inputs or by uploading an input file. The page that shows a specific dataset has a "fork input" button to copy the input file to your private space. The next screen will ask you to choose a file name. Saving will also validate the input against the exciting input schema.
From the text view one can toggle to the GUI Mode via the "Use GUI" link.
The GUI is an interactive editor for the exciting input file. Every section has, where applicable, an Add element and Add attribute button, signified by the blue and green plus signs. The plus sign expands a list of elements or attributes that may be added to the configuration. This way one can add atoms of a certain species, or add new attribute to the ground state.
In order to execute exciting calculations from within exciting@web one has to provide a calculation service. The service is configured in the preferences. It is possible to create calculation services yourself.
Read the explanation on how to setup a calculation service. Like this it is possible to use different services for different versions of the exciting code or different execution modes.
The files stored under "Inputs" can be submitted to one of the available calculation services. Each input file has a show/run link which leads to the view of the input file where a submit button is available. After pressing the submit button you will be asked to select the calculation service and pick a job name. Then you can Submitt the input to the calculation service.
By submitting the calculation the input file is send to the server and the exciting code is started. The species files are loaded from the internet. In order to make this work the speciespath attribute must be:"http://xml.exciting-code.org/species/"
When the job is successfully started the progress can be surveyed via the status page.
After the calculation is finished one cal load the data that is on the remote calculation service into the database. For this purpose you will find an import button at the bottom of the jobs input or info page.
Then the data should be visible under the "Unpublished" panel. When the data was successfully imported the job can be deleted. This also deletes the files from the calculation service.
On the "Uploader" panel you find instruction how to install and use the Xuploader tool. As a data set consists of a collection of files this is the most convenient way to to this.
Any data set on the "Unpublished" panel can be marked to be publish by using the action selector and the check boxes in the table.
- Upload or copy an input file
- Edit and submit.
- Import the results
- Install uploader and upload a data set
- Install you own calculation service and submit a calculation