ResonantHPC: HPC Enabled Pre-and-Post-Processing with Jupyter

The scientific software community is facing major challenges in an era of disruptive changes in computing architectures, with ever increasing data types and sizes and complex computer designs and deployment configurations. Computing architectures are increasingly more powerful through multi-node architectures of HPC machines as well as multi-core and multi-way GPUs) processors available on individual nodes. These new exascale computing architectures demand fundamental changes in algorithms and software design. An increase in computational availability offers new possibilities for higher resolution simulations and better analysis of natural phenomenons. However, a multitude of data sources, types and resolutions in the ESS domain create a critical need for data integration systems that increase scientific productivity by provid- ing HPC capable pre-and-post processing for easier and faster turn around and integration with modern and next-generation simulation systems. We propose an open source system called ResonantHPC to addresses these challenges. This system will extend the standard scientific computing environment Jupyter) so that researchers can prepare, execute, and analyze the results of remote exascale-level simulation from their work- stations. We provide a data integration module that enables pulling data from heterogeneous sources as well as running required preprocessing. We include a modeling interface that enables the user to generate an input mesh through the execution of an external mesher) and to associate additional attributes to mesh elements. We enable, through a simple user interface, the execution and monitoring of HPC jobs such as preprocessing, simulation and visualization modules. We incorporate a leading parallel analysis and visualization module. Our application runs inside a web browser and provides both user interface and scripting access to its functionality. This work will further our open source platforms for data integration, modeling and visualization while providing a turn-key pre and post processing application for the environmental and biological communities. Such platforms provide Kitware with significant business opportunities, as open software platforms lend themselves to a services business model where the company can provide technology integration services with customers and collaborators to build valuable, competitive products and services.