Jupyter – vis

Jupyter at JSC

Jupyter is an interactive computational environment in the web browser, in which you can combine code execution, rich text, mathematics, plots and rich media in a document called Jupyter Notebook. Jupyter Notebooks are for creating reproducible computational narratives.

The Jupyter Notebook is based on a set of open standards for interactive computing. Think HTML and CSS for interactive computing on the web. These open standards can be leveraged by third party developers to build customized applications with embedded interactive computing.

  • Share notebooks
    Notebooks can be shared with others using email, Dropbox, GitHub and the Jupyter Notebook Viewer.
  • Interactive output
    Your code can produce rich, interactive output: HTML, images, videos, LaTeX, and custom MIME types.
  • Big data integration
    Leverage big data tools, such as Apache Spark, from Python, R and Scala. Explore that same data with pandas, scikit-learn, ggplot2, TensorFlow.
  • Language of choice
    The Notebook has support for over 40 programming languages, including Python, C++, Julia, R and Bash.


JupyterLab provides a high level of integration between notebooks, documents, and activities.
JupyterLab is the advanced interactive development environment for working with notebooks, code and data and has full support for Jupyter Notebooks.
But additionally, JupyterLab enables you to use

  • text editors, terminals
  • data file viewers
  • and other custom components

side by side with Jupyter Notebooks in a tabbed work area.

Get inspired and check these example Jupyter notebooks:

Ok, what do I have to do?

Jupyter or JupyterLab (Interactive Supercomputing at JSC)

  • apply for a JSC Web Service Account ->HERE<-
  • sign in with your JSC Web Service Account to Jupyter@JSC ->HERE<-
  • accept the usage and data protection aggreement ...

... and you are ready to start Jupyter. Here you can deside

  • on which cluster you want to start Jupyter
  • if you want to run it on login or compute nodes and on how many.
  • if you want to run the classical Jupyter or deside for the new JupyterLab (which we recomment)

==> START with Jupyter/JupyterLab at JSC <==

Jupyter Kernel - The Computational Engine

A Jupyter kernel is a “computational engine” that executes the code contained in a Jupyter Notebook document.
Various kernel have been provided by different groups.
Here is a list of available kernels: https://github.com/jupyter/jupyter/wiki/Jupyter-kernels

In general the Jupyter Kernel live in the system environment, which is loaded for Jupyter itself.
On JURECA currently the following kernel are installed:

  • Python
  • C++ (14,17,1z)
  • Julia
  • Bash

but you can create your own specialized Jupyter kernel if you like (and need).

Setup your own specialized Jupyter-Kernel

The installed kernels might not suite your needs and you want to switch to a different software stage or want to load additional software modules.
In that case you need to set up your own specialized Jupyter kernel (located in ${HOME}/.local/share/jupyter/kernels/).
This can be done in the terminal in a few steps on the supercomputer:

  1. LOAD the modules you need
    • start with module --force purge to remove any module which is already loaded
    • ensure this includes a recent Python 3.x (even if you are not planing to use Python)
    • example:
      module --force purge
      module use /usr/local/software/jureca/OtherStages
      module load Stages/Devel-2018a
      module load GCCcore/.5.5.0
      module load Jupyter
  1. CREATE a new Python virtual environment (VENV) on the supercomputer
  1. ACTIVATE the new Python virtual environment (VENV) in your terminal
    • the loaded modules modify $PYTHONPATH
      • ensure(!!!) the first entry is the site-package directory of your VENV (use python -m site)
      • export PYTHONPATH=<DIR-OF-VENV>/lib/python3.6/site-packages:${PYTHONPATH}
    • example:
      source ${HOME}/venv_mykernel/bin/activate
      (venv)$ export PYTHONPATH=${HOME}/venv_mykernel/lib/python3.6/site-packages:${PYTHONPATH}
  1. PIMP your VENV
    • install ipykernel with pip
    • install any other python software you need with pip
    • example:
      (venv)$ pip install ipykernel
      (venv)$ <install whatever else you need in your Python virtual environment using pip>
  1. INSTALL your personal Jupyter kernel

Now, modify this basic jupyter kernel to suite your needs.

  1. WRITE a launch script
    • that sets up your environment
      • load the same modules as in (1)
    • followed by the IPython kernel launch
      • load the Python virtual environment as in (3)
    • example (e.g. ${HOME}/venv_mykernel/mykernel.sh):
      #!/usr/bin/env bash
      module --force purge
      module load Stages/Devel-2018a
      module load GCCcore/.5.5.0
      module load Jupyter
      source ${HOME}/venv_mykernel/bin/activate
      export PYTHONPATH=${HOME}/venv_mykernel/lib/python3.6/site-packages:${PYTHONPATH}
      exec python -m ipykernel $@
  1. MODIFY the Jupyter kernel configuration file
    • located in ${HOME}/.local/share/jupyter/kernels/mykernel/kernel.json file
    • it must call your launch script:
    • example:
       "argv": [

JupyterLab Extensions - Developing new Features

JupyterLab is built on top of an extension system that enables you to customize and enhance JupyterLab by installing additional extensions.
To start developing a JupyterLab extension, see

JupyterLab use modern JavaScript technologies such as

JupyterLab extensions are written partly in TypeScript (file extension *.ts). These files are compiled to JavaScript with the TypeScript compiler tsc. Therefore, if you change a *.ts file you need to rebuild the JavaScript file. On installation this is done by npm through the file package.json, which triggers tsc. tsc will search for the file tsconfig.json in the current directory and build depending on the configuration there the JavaScript files into a defined output directory. To rebuild your *.ts files, just call tsc in the directory with tsconfig.json.

JupyterHub - Integration of Jupyter in a Multiuser Environment

JupyterHub is a multi-user server that manages and proxies multiple instances of the single-user Jupyter notebook server.

The Hub can offer notebook servers to a class of students, a corporate data science workgroup, a scientific research project, or a high performance computing group. With JupyterHub a multi-user Hub which spawns, manages, and proxies multiple instances of the single-user Jupyter notebook (IPython notebook) server can be created.

There are three basic processes involved:

  • multi-user Hub (Python/Tornado)
  • configurable http proxy (node-http-proxy)
  • multiple single-user IPython notebook servers (Python/IPython/Tornado)

The proxy is the only process that listens on a public interface. The Hub sits behind the proxy at /hub. Single-user servers sit behind the proxy at /user/[username].


Jupyter@JSC: https://jupyter-jsc.fz-juelich.de
Jupyter Homepage: http://www.jupyter.org
Jupyter Blog: http://blog.jupyter.org
Jupyter Notebook Gallery: https://github.com/jupyter/jupyter/wiki/A-gallery-of-interesting-Jupyter-Notebooks


Jupyter: https://github.com/jupyter/jupyter

JupyterLab: https://github.com/jupyterlab/jupyterlab

JupyterHub: https://github.com/jupyterhub/jupyterhub

any feedback welcomed - j.goebbert@…, h.zilken@…

Last modified 2 years ago Last modified on 09/19/18 10:28:47

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