Software modules

List available modules

ml avail

and load a particular module, e.g.

ml OpenMPI/3.1.1-GCC-7.3.0-2.30

to use OpenMPI version 3.1.1 compiled with GNU Compiler Collection version 7.3. To get an overview of modules currently loaded in the shell environment do

ml

Unload a particular module with ml unload <module>, e.g.

ml unload GCC/7.3.0-2.30

or just ml unload GCC will remove the GNU Compiler Collection from the environment (and OpenMPI would stop functioning!).

Installing software

As an alternative to building software manually a HPC package manager can be used.

EasyBuild

Sophia users can load the EasyBuild framework with

ml EasyBuild

and e.g. go through a workflow example to get the hang of it. An alphabetically sorted list of software recipies - so-called easyconfigs - are available on GitHub.

Spack

Another option is the Spack package manager; we refer to the docs for further information.