Towards Interactive, Reproducible Analytics at Scale on HPC Systems Shreyas Cholia Lindsey Heagy Matthew Henderson Lawrence Berkeley National Laboratory University Of California, Berkeley Lawrence Berkeley National Laboratory Berkeley, USA Berkeley, USA Berkeley, USA
[email protected] [email protected] [email protected] Drew Paine Jon Hays Ludovico Bianchi Lawrence Berkeley National Laboratory University Of California, Berkeley Lawrence Berkeley National Laboratory Berkeley, USA Berkeley, USA Berkeley, USA
[email protected] [email protected] [email protected] Devarshi Ghoshal Fernando Perez´ Lavanya Ramakrishnan Lawrence Berkeley National Laboratory University Of California, Berkeley Lawrence Berkeley National Laboratory Berkeley, USA Berkeley, USA Berkeley, USA
[email protected] [email protected] [email protected] Abstract—The growth in scientific data volumes has resulted analytics at scale. Our work addresses these gaps. There are in a need to scale up processing and analysis pipelines using High three key components driving our work: Performance Computing (HPC) systems. These workflows need interactive, reproducible analytics at scale. The Jupyter platform • Reproducible Analytics: Reproducibility is a key com- provides core capabilities for interactivity but was not designed ponent of the scientific workflow. We wish to to capture for HPC systems. In this paper, we outline our efforts that the entire software stack that goes into a scientific analy- bring together core technologies based on the Jupyter Platform to create interactive, reproducible analytics at scale on HPC sis, along with the code for the analysis itself, so that this systems. Our work is grounded in a real world science use case can then be re-run anywhere. In particular it is important - applying geophysical simulations and inversions for imaging to be able reproduce workflows on HPC systems, against the subsurface.