A parallel and performance portable implementation of a full-field crystal plasticity model

Yenusah, Caleb Onuh; Morgan, Nathaniel Ray; Lebensohn, Ricardo A.; Zecevic, Miroslav; Knezevic, Marko

doi:10.1016/j.cpc.2024.109190

A parallel and performance portable implementation of a full-field crystal plasticity model

Journal Article · Thu Apr 04 00:00:00 EDT 2024 · Computer Physics Communications

DOI:https://doi.org/10.1016/j.cpc.2024.109190· OSTI ID:2588977

^[1]; ^[1]; Lebensohn, Ricardo A. ^[1]; Zecevic, Miroslav ^[1]; Knezevic, Marko ^[2]

Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
University of New Hampshire, Durham, NH (United States)

We have developed a parallel implementation of an Elasto-Viscoplastic Fast Fourier Transform-based (EVPFFT) micromechanical solver to enable computationally efficient crystal plasticity modeling for polycrystalline materials. Our primary focus lies in achieving performance portability, allowing a single EVPFFT implementation to run optimally on various homogeneous architectures, including multi-core Central Processing Units (CPUs), as well as on heterogeneous computer architectures comprising multi-core CPUs and Graphics Processing Units (GPUs) from different vendors. To accomplish this goal, we have leveraged MATAR, a C++ software library that simplifies the creation and utilization of multidimensional dense or sparse matrix and array data structures. These data structures are designed to be portable across diverse architectures through the use of Kokkos, a performance-portable library. Additionally, we have employed the Message Passing Interface (MPI) to efficiently distribute the computational workload among processors. The heFFTe (Highly Efficient FFT for Exascale) library is used to facilitate the performance portability of the fast Fourier transforms (FFTs) computation. The computational performance of EVPFFT is evaluated and presented in terms of parallel scalability and simulation runtime on different high-performance computing (HPC) architectures. As a result, the utility of the developed framework to efficiently simulate the micro-mechanical fields in polycrystalline microstructures in engineering applications is discussed.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 2588977

Alternate ID(s):: OSTI ID: 2369146

Report Number(s):: LA-UR--23-21226; 10.1016/j.cpc.2024.109190

Journal Information:: Computer Physics Communications, Journal Name: Computer Physics Communications Vol. 300; ISSN 0010-4655

Publisher:: Elsevier BVCopyright Statement

Country of Publication:: United States

Language:: English

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