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Cabana - A Co-Designed Library for Exascale Particle Simulations

Cabana is a performance portable library for particle-based simulations. Applications include but not limited to Molecular Dynamics (MD), MD with long-range interactions, Particle-in-Cell (PIC), Quantum MD, etc. It provides particle data structures, algorithms, and utilities to enable simulations on a variety of platforms included many-core architectures and GPUs.

Cabana is developed as part of the Co-Design Center for Particle Applications (CoPA) within the Exascale Computing Project (ECP) under the U.S. Department of Energy. CoPA is a multi-institution project with developers from ORNL, LANL, SNL, LLNL, PPNL, and ANL.

Configure, Build, and Test

This is the best resource for information on how to configure, build, and test Cabana on a variety of different computing platforms.

Programming Guide

The Cabana programming guide covers core library concepts and directed examples of using the library API.

Basic memory layout of particle data structure

The Cabana library builds in AOSOA (array-of-struct-of-array) as the basic memory layout of particle data structure.

Benchmarks

The goal of benchmarks is to ensure high performance of the library infrastructure.