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How to start GaussView

How to start GaussView

We provide GaussView 6.1.1 via JupyterHub on our systems for Gaussian 16 installation.

Note: you may apply for access here.

Starting GaussView on a JupyterHub-Server

  1. Connect to Jupyterhub

    1. Noctua 2: https://jh.pc2.uni-paderborn.de

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  1. Start a JupyterLab interface using “Start My Server” and the “Simple” mode.

Click on “Start My Server”.

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JupyterHub Entry Page

Click on “Start” to start JupyterLab.

  1. Click on the “Xpra Desktop” icon to start a GUI.

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  1. Start GaussView

  2. Load the Gaussian module of your choice 

    • E.g., module load chem/gaussian/g16/c02

  3. Start the GaussView GUI by calling:  $GV_DIR/gview.sh

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GaussView 6.1.1. GUI

Starting GaussView on a compute- or GPU-node

  1. Start JupyterHub like above.

  2. Start a JupyterLab interface using “Start My Server”.

  3. Instead of “Simple” choose “Advanced” or “Expert” mode and specify the resources you want.

  4. Start Xpra and GaussView like above.