Getting Started

In order to use the MATCSSI portal for your calculations, please follow these steps:

Step 1

Open matcssi.tacc.utexas.edu and navigate to Log in on the top right corner.

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Step 2

If you do not have a TACC ID, please create an account at this address: accounts.tacc.utexas.edu/register Registration will literally take 1 min, and you should be approved within 24h. Once you have a TACC account, please login using your TACC user ID and password

Upon login, you will see a portal with multiple options on the left-side menu.

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Step 3

In this menu, select Applications, Data Processing, and Jupyter Notebook HPC MPI (Frontera), as shown below

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Step 4

At this point you can choose the configuration of your run. Select the number of nodes, cores, and allocation and click submit. For example, for small jobs you can choose 1 node and 56 cores. For information on the architecture of the Frontera supercomputer, please take a look at the user guide. The allocation to be used for MATCSSI is: [Director Discretionary allocation requested].

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Step 5

To find the job that you have just submitted, navigate to history and then jobs.

Click on open session, and you will see a pop up asking you to connect.

Once connected, you will see your Jupyter session, and will be able to access your Home, Work, and Scratch folders.

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Step 6

Navigate to the folder that contains the Jupyter Notebooks and launch the notebook. At this point you will be able to perform calculations live from within the notebook.

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How to obtain the Jupyter Notebooks at the EPWpy package

In order to download the notebooks and EPWpy (which is used by the notebooks), go to: gitlab.com/matcssi/notebook_epw_bgw, and clone the entire repository into your Work folder.