CPS-FR: Software Productivity and Sustainability in Computational Science

Anshu Dubey

Argonne National Laboratory

Wednesday, August 24, 2022



PSFC Seminars

Computational science and engineering communities develop complex applications to solve scientific and engineering challenges. These applications have many moving parts that need to interoperate with one another. These communities are facing new challenges  created by the confluence of disruptive changes in computing architectures, demand for greater scientific reproducibility, and new opportunities for higher fidelity simulations with multi-physics and multi-scales.  Architecture changes require new software design and implementation strategies, and significant refactoring of existing code. Reproducibility demands more rigor across the entire software endeavor. Code coupling requires aggregate team interactions including integration of software processes and practices.  These challenges demand large investments in scientific software development and improved practices.  In this lecture I will describe challenges of improving software productivity in computational science projects, especially those that involve high performance computing. I will also describe various efforts in mitigating these challenges through distillation of practices that have been found to be effective. The topics covered will include software design for performance portability and sustainability, and methodologies for increasing both the scientific output and the developer productivity.

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