StepUp Queue: Submit SLURM jobs from a StepUp workflow¶
StepUp Queue is an experimental StepUp extension to integrate queued jobs into a workflow. It currently supports integration with SLURM and is designed to be extensible to other job schedulers.
A simple example of a dataset created with StepUp Queue, is the Sodium Chloride Electrolyte Equilibrium Molecular Dynamics Simulations dataset on Zenodo.