HPC Series: Reproducible HPC workflows using JUBE

This course provides an introduction into the Jülich Benchmarking Environment (JUBE), a workflow management system created for running performance benchmarks on high-performance computing (HPC) systems. JUBE can also be used for general workflows involving running applications on HPC systems, and this course will further provide an example on how to run the molecular-dynamic code GROMACS and will discuss aspects of workflow reproducibility in JUBE. Target audience: Users of HPC systems that...