Better Software for Reproducible Science tutorial @ The International Conference for High-Performance Computing, Networking, Storage, and Analysis (SC23) conference (2023)

Producing scientific software is a challenge. The high-performance modeling and simulation community, in particular, faces the confluence of disruptive changes in computing architectures and new opportunities (and demands) for greatly improved simulation capabilities, especially through coupling physics and scales. Simultaneously, computational science and engineering (CSE), as well as other areas of science, are experiencing an increasing focus on scientific reproducibility and software quality. 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. Focusing on improved developer productivity and software sustainability is both urgent and essential.Attendees will learn about practices, processes, and tools to improve the productivity of those who develop CSE software, increase the sustainability of software artifacts, and enhance trustworthiness in their use. We will focus on aspects of scientific software development that are not adequately addressed by resources developed for industrial software engineering. Topics include the design, refactoring, and testing of complex scientific software systems; collaborative software development; and software packaging. The second half of this full-day tutorial will focus on reproducibility, and why and how to keep a lab notebook for computationally-based research.