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Minisymposium Presentation

Scalable and Performance Portable Particle and Structured-Mesh Simulation with Cabana

Wednesday, June 5, 2024
12:30
-
13:00
CEST
Climate, Weather and Earth Sciences
Climate, Weather and Earth Sciences
Climate, Weather and Earth Sciences
Chemistry and Materials
Chemistry and Materials
Chemistry and Materials
Computer Science and Applied Mathematics
Computer Science and Applied Mathematics
Computer Science and Applied Mathematics
Humanities and Social Sciences
Humanities and Social Sciences
Humanities and Social Sciences
Engineering
Engineering
Engineering
Life Sciences
Life Sciences
Life Sciences
Physics
Physics
Physics

Presenter

Sam
Reeve
-
Oak Ridge National Laboratory

Sam Reeve is staff scientist at Oak Ridge National Lab, working at the intersection of materials and computational science. Current focuses include performance portability, scalability, and software best practices for physics applications; uncertainty quantification for materials modeling; and investigation of microstructural and atomistic phenomena in materials. He obtained his BS from Iowa State University in 2013 and his PhD from Purdue University in 2018, both in Materials Engineering.

Description

We present Cabana, a performance portable library for building scientific applications, including mesh-free techniques from atomistic (molecular dynamics) to cosmology (N-body), hybrid particle-mesh (e.g. particle-in-cell), and structured grid simulation. Cabana was created through the U.S. Department of Energy Exascale Computing Project to enable particle simulations on exascale supercomputers, as well as local workstations. Cabana uses a Kokkos+MPI strategy to separate the concerns of the application physics from the threaded parallelism and vendor backends, as well as from domain decomposition and distributed parallelism. Cabana implements data structure, parallelism, and algorithmic extensions to Kokkos for both particles and structured grids, as well as MPI communication for both. Examples of performance engineering on leadership supercomputers across critical application kernels will be presented for mesh-free, hybrid particle-mesh, and structured mesh applications. We will next discuss how to create Cabana-based applications or to adopt it within an existing application and highlight recent scientific results obtained with Cabana codes across fracture mechanics, materials manufacturing, and plasma physics.

Authors