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IDEAS-EXAALT-SIAM-Poster.pdf (2.52 MB)

IDEAS-EXAALT Collaboration: Adopting Continuous Integration for Long-Timescale Materials Simulation

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poster
posted on 2019-02-26, 16:29 authored by Richard Zamora, Christoph Junghans, David MoultonDavid Moulton
As leadership-scale computing systems continue to grow in both size and complexity, so do the scientific software applications that are designed to use them. In order to leverage extreme scales efficiently, many modern applications are composed of a collection of independent packages and libraries. For these projects, the necessary implementation of sustainable software practices requires developers to navigate multiple code bases. One promising answer to this challenge is the Productivity and Sustainability Improvement Planning (PSIP) methodology being developed by the Interoperable Design of Extreme-scale Application Software (IDEAS) project. The PSIP methodology promotes the clear factoring of new software processes and capabilities into a manageable number of critical steps with simple completion criteria. The Exascale Atomistic Capability for Accuracy, Length and Time (EXAALT), currently developed under the US-DOE Exascale Computing Project (ECP), is an excellent example of a complex software framework in which PSIP has proven valuable. Specifically, EXAALT is comprised of three sub-projects (ParSplice, LAMMPS, and LATTE) with different physics, each with its own development processes and dependencies. In this work, we highlight a recent effort to implement an end-to-end continuous-integration pipeline within the EXAALT project repository to demonstrate the advantages of PSIP-based software development.

Funding

Exascale Computing Project (17-SC-20-SC)

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