hpc documentation

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====== Mathematica ======

Wolfram [[https://www.wolfram.com/mathematica/|Mathematica]] provides a single integrated, continually expanding system that covers the breadth and depth of technical computing. Mathematica excels across all areas of technical computing—including neural networks, machine learning, image processing, geometry, data science, visualizations and much more.

To determine the available versions of Mathematica installed use

<code bash>
$ vpkg_versions mathematica
</code>

If any functions will be targeting GPU resources, then make sure the job submission selects the appropriate partitions for GPU resources and use VALET to load a version of Mathematica with CUDA libraries. For example,

<code bash>
$ vpkg_require mathematica/13.0.0:cuda
</code>

will load Mathematica version 13.0.0 and the appropriate CUDA libraries.

If you experience problems while running ''mathematica'', then exit and try removing all cached Mathematica resources and extensions by typing

<code bash>
$ rm -rf ~/.Wolfram ~/.Mathematica
</code>

This will ensure that additional libraries downloaded from Wolfram (e.g. the MXNetLink extension) will be the newest, most-compatible possible when you run ''mathematica'' again. These problems have been reported when switching between different versions of Mathematica or functions targeted to use different resources.

Batch jobs (''sbatch'') are the preferred method when submitting jobs. However if an interactive job (''salloc'') is needed for testing and benchmarking with a GUI, then it is recommended to use [[technical:recipes:vnc-usage|VNC for X11 applications]].