Better Scientific Software

a tutorial presented at

NOAA Global Systems Laboratory

on 9:00 am - 5:00 pm MDT (UTC-6) Tuesday 1 August 2023 - Wednesday 2 August 2023

Presenters: David E. Bernholdt (Oak Ridge National Laboratory), Anshu Dubey (Argonne National Laboratory), and Patricia A. Grubel (Los Alamos 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 BSSw tutorial focuses on issues of developer productivity, software sustainability, and reproducibility in scientific research software, particularly targeting high-performance computers.


DayTime (MDT)TitlePresenter
Tue 1 Aug9:00 AMIntroduction Patricia A. Grubel (LANL)
Tue 1 Aug9:10 AMMotivation and Overview of Best Practices in HPC Software Development Patricia A. Grubel (LANL)
Tue 1 Aug9:40 AMCollaborative Software Development Patricia A. Grubel (LANL)
Tue 1 Aug10:40 AMBreak
Tue 1 Aug10:55 AMCollaborative Software Development Patricia A. Grubel (LANL)
Tue 1 Aug11:25 AMSoftware Packaging David E. Bernholdt (ORNL)
Tue 1 Aug11:55 AMLunch
Tue 1 Aug1:30 PMScientific Software Design Anshu Dubey (ANL)
Tue 1 Aug3:00 PMRefactoring Scientific Software Anshu Dubey (ANL)
Tue 1 Aug3:30 PMBreak
Tue 1 Aug3:45 PMImproving Reproducibility Through Better Software Practices Patricia A. Grubel (LANL)
Tue 1 Aug5:00 PMAdjourn
Wed 2 Aug9:00 AMLab Notebooks for Computational Mathematics, Sciences, & Engineering David E. Bernholdt (ORNL)
Wed 2 Aug10:00 AMManaging Computational Experiments Anshu Dubey (ANL)
Wed 2 Aug10:30 AMBreak
Wed 2 Aug10:45 AMSoftware Testing and Verification Anshu Dubey (ANL)
Wed 2 Aug12:15 PMLunch
Wed 2 Aug1:45 PMDocumenting your Software David E. Bernholdt (ORNL)
Wed 2 Aug2:45 PMBreak
Wed 2 Aug3:00 PMSoftware Licensing David E. Bernholdt (ORNL)
Wed 2 Aug4:00 PMSummary David E. Bernholdt (ORNL)
Wed 2 Aug4:15 PMGeneral Discussion (optional)All
Wed 2 Aug5:00 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.

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Requested Citation

The requested citation the overall tutorial is:

David E. Bernholdt, Anshu Dubey, and Patricia A. Grubel, Better Scientific Software tutorial, in NOAA Global Systems Laboratory, Boulder, Colorado, 2023. DOI: 10.6084/m9.figshare.23796606.

Individual modules may be cited as Speaker, Module Title, in Better Scientific Software 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.