About

Runner is a free and open source infrastructure to manage workflows of atomistic simulations in a high throughput fashion. It abstracts the job submission and retrieval on workload managers, like slurm.

Advantages:

• Highly robust workflows: The workflows are fault tolerant. Any failed run can be easily corrected, and after submission of that run, the workflow resumes seamlessly.

• Reproducible: Since all files, parameters, and functions are saved, the workflow becomes easily reproducible.

• Visualisation and analysis of workflow: Due to parent-child relations established to determine hierarchy of runs, the visualisation and analysis of the workflow is easier.

• ASE database backed: The backbone of ASE databases imply high extensibility.