Better Scientific Software

Sunday, May 21, 2023 2:00 PM to 6:00 PM · 4 hr. (Europe/Berlin)

Hall Y11 - 2nd Floor

Tutorial

HPC WorkflowsManaging Extreme-Scale ParallelismNumerical LibrariesSustainability and Energy Efficiency

Information

The computational science and engineering (CSE) community is in the midst of an extremely challenging period created by the confluence of disruptive changes in computing architectures, demand for greater scientific reproducibility, and new opportunities for greatly improved simulation capabilities, especially through coupling physics and scales. Computer architecture changes require new software design and implementation strategies, including significant refactoring of existing code. Reproducibility demands require 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. Focusing on improved developer productivity and software sustainability is both urgent and essential. This tutorial will provide information and hands-on experience with software practices, processes, and tools explicitly tailored for CSE. Goals are improving the productivity of those who develop CSE software and increasing the quality and sustainability of software artifacts. We discuss practices that are relevant for projects of all sizes, with emphasis on complex workflows and reproducible science. Topics include software design, effective models, tools, complex workflows, computational experiments, software testing (including automated testing, legacy code testing, and continuous integration), and software packaging.

Format

On-site

Targeted Audience

This tutorial is designed to benefit any scientific software development project, irrespective of its size and scope. The tutorial can benefit people at any stage of their career, whether they are students, post-docs, or established practitioners with a skew towards intermediate levels.

Prerequisites

To participate in the hands-on activities, students should have a computer capable of accessing the internet and a web browser. Some activities will utilize GitHub, so students should have or be willing to create a GitHub account. We build in time at the very start of the tutorial to ensure participants are aware of the prerequisites and provide instructions they can follow during breaks to prepare.

Beginner Level

25%

Intermediate Level

50%

Advanced Level

25%