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pymistral

Wrapper for parallel, effective and efficient computations via slurm and dask on our supercomputer

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System configuration

The following steps are necessary to use pymistral.

Environment

Create a new conda environment using the pymistral.yml file. This has to be done on the supercomputer when using pymistral on an HPC system or locally for a standalone configuration.

conda env create -f pymistral.yml

If the environment already exists and needs to be updated, use:

source activate pymistral
conda env update -f=pymistral.yml

Script to start jupyterlab on HPC

This part is only necessary when jupyterlab and pymistral is used on a remote HPC system.

pymistral_preload

Place the pymistral_preload file into your home directory on mistral and change the conda environment name if necessary.

start-pymistral.sh

Adjust the start-pymistral.sh script with your username and project number.

Change SJ_INCFILE if pymistral_preload has been renamed.