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Module systems are available on our HPC systems to help manage software and keep the shell environment as tidy and reproducible as possible. In particular, Setonix adopts Lmod. For instance, the command
$ module load gromacs/2022.52023-double
would load the required variables to run the molecular dynamics software Gromacs for double precision.
Container technology is emerging in HPC as an alternative effective tool for building, managing and running software. Singularity is the container engine currently installed on all Pawsey Supercomputing systems. On Setonix, Singularity can be loaded as a module using the syntax
$ module load singularity/3.11.44.1.0-<FLAVOUR>
(Check the differences in flavours in our Singularity at Pawsey documentation.)
Among other features, Singularity is fully compatible with the Docker engine and Docker containers. Singularity can be run on Nimbus cloud as well as on personal computers and workstations.
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