How to start GaussView

Owned by Axel Keller
Last updated: Apr 24, 2024 by Marcel-Brian Wilkowsky
2 min read

 

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

Please note, that Gaussian and also GaussView is only available for members of the Paderborn University. You may apply for access here.

Starting GaussView on a JupyterHub-Server

  1. Connect to Jupyterhub

    1. Noctua 1: https://jh.noctua1.pc2.uni-paderborn.de

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

image-20240422-114054.png

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

Click on “Start My Server”.

1.3.png
JupyterHub Entry Page

Click on “Start” to start JupyterLab.

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

  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

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 noVNC and GaussView like above.