Mathematics and Computer Science

Sustainable Software and Performance Engineering

Developing the tools, methods, and communities to maximize software utility

Argonne’s Mathematics and Computer Science division is investigating methods for providing performance portability and ensuring the correctness and long-term sustainability of software on HPC systems. Domains of interest include applications software, numerical libraries, systems software, and software tools.

Related Projects

Software Engineering

Applying engineering principles and programming knowledge to design, develop, test, and maintain software solutions that advance scientific discovery, through projects such as PETSc/TAO and REMORA.

Performance Modeling

Deigning and using models to analyze and improve the performance of parallel scientific applications, through projects such as MuMMI and ytopt.

Sustainability and Performance Portability

Developing and maintaining performance-portable applications for diverse exascale architectures, enabling software developers to avoid having to substantially rewrite code for new hardware platforms, through projects such as Flash-X and PESO.

Publications

A cast of thousands: how the IDEAS Productivity Project has advanced software productivity and sustainability

L. C. McInnes, M.A. Heroux, D. E. Bernhardt, A. Dubey, E. Gonsiorowski, Rinku Gupta, Computing in Science & Engineering 26(1) 48-60, 2025

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A tool and a methodology to use macros for abstracting variations in code for different computational demands

A. Dubey, Y. Lee, T. Klosterman, and E. Vatai, Future Generation Computer Systems, 173, Dec. 2025, 106937

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Building and sustaining a community resource for best practices in scientific software: the story of BSSw​.io

R. Gupta et al., Computing in Science & Engineering, 26(3) 36-45, Oct.-Dec. 2024, doi: 10.1109/MCSE.2024.3480808

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Managing software provenance to enhance reproducibility in computational research

Akash Dhru, Anshu Dubey, Computing in Science & Engineering, 25(3) 60-65, 2023

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