Software Practices for Reproducible Science

a tutorial presented at

2024 ACM Conference on Reproducibility and Replicability (ACM-REP)

on 1:30 pm - 5:00 pm CEST Tuesday 18 June 2024

Presenters: Anshu Dubey (Argonne National Laboratory) and Gregory R. Watson (Oak Ridge National Laboratory)

This page provides detailed information specific to the tutorial event above. Expect updates to this page up to, and perhaps shortly after, the date of the tutorial. Pages for other tutorial events can be accessed from the main page of this site.

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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 and for running computational experiments. 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 illustrative use cases of software practices, processes, and tools explicitly tailored to enhance reproducibility in computational science. We discuss practices that are relevant for projects of all sizes, with emphasis on complex workflows and reproducible science. Topics include software design, software testing, collaborative development, and methodologies for running reproducible computational experiments.


Time (CEST)TitlePresenter
1:30 PMIntroduction Gregory R. Watson (ORNL)
1:35 PMImproving Reproducibility Through Better Software Practices Gregory R. Watson (ORNL)
2:15 PMSoftware Testing and Verification Gregory R. Watson (ORNL)
3:00 PMAfternoon break
3:30 PMManaging Computational Experiments Anshu Dubey (ANL)
4:30 PMReproducibility of Workflows Gregory R. Watson (ORNL)
5:00 PMAdjourn

Presentation Slides

The latest version of the slides will always be available at

Note that these files may include additional slides that will not be discussed during the tutorial, but questions are welcome.

Supplementary Materials

Due to technical difficulties, we were unable to present the “Managing Computational Experiments” module. The following two videos, from our 2022 ATPESC tutorial, taken together, are very similar to what we intended to present in this tutorial.

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Requested Citation

The requested citation the overall tutorial is:

Anshu Dubey and Gregory R. Watson, Software Practices for Reproducible Science tutorial, in 2024 ACM Conference on Reproducibility and Replicability (ACM-REP), Rennes, France and online, 2024. DOI: 10.6084/m9.figshare.26019469.

Individual modules may be cited as Speaker, Module Title, in Software Practices for Reproducible Science tutorial…


This tutorial is produced by the IDEAS Productivity project.

This work was supported by the U.S. Department of Energy Office of Science, Office of Advanced Scientific Computing Research (ASCR), and by the Exascale Computing Project (17-SC-20-SC), a collaborative effort of the U.S. Department of Energy Office of Science and the National Nuclear Security Administration.

This work was supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Next-Generation Scientific Software Technologies (NGSST) program.