Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces

Eghtesad, Adnan; Germaschewski, Kai; Beyerlein, Irene J.; Hunter, Abigail; Knezevic, Marko

doi:10.1016/j.advengsoft.2017.09.010

Title: Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces

Full Record
Other Related Research

Abstract

We present the first high-performance computing implementation of the meso-scale phase field dislocation dynamics (PFDD) model on a graphics processing unit (GPU)-based platform. The implementation takes advantage of the portable OpenACC standard directive pragmas along with Nvidia's compute unified device architecture (CUDA) fast Fourier transform (FFT) library called CUFFT to execute the FFT computations within the PFDD formulation on the same GPU platform. The overall implementation is termed ACCPFDD-CUFFT. The package is entirely performance portable due to the use of OPENACC-CUDA inter-operability, in which calls to CUDA functions are replaced with the OPENACC data regions for a host central processing unit (CPU) and device (GPU). A comprehensive benchmark study has been conducted, which compares a number of FFT routines, the Numerical Recipes FFT (FOURN), Fastest Fourier Transform in the West (FFTW), and the CUFFT. The last one exploits the advantages of the GPU hardware for FFT calculations. The novel ACCPFDD-CUFFT implementation is verified using the analytical solutions for the stress field around an infinite edge dislocation and subsequently applied to simulate the interaction and motion of dislocations through a bi-phase copper-nickel (Cu–Ni) interface. It is demonstrated that the ACCPFDD-CUFFT implementation on a single TESLA K80 GPU offers a 27.6X speedupmore »« less

Authors:

Eghtesad, Adnan ^[1]; Germaschewski, Kai ^[1]; Beyerlein, Irene J. ^[2]; Hunter, Abigail ^[3]; Knezevic, Marko ^[1]

Univ. of New Hampshire, Durham, NH (United States)
Univ. of California, Santa Barbara, CA (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Publication Date:: 2017-10-14

Research Org.:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1402642

Alternate Identifier(s):: OSTI ID: 1549390

Report Number(s):: LA-UR-17-25058
Journal ID: ISSN 0965-9978

Grant/Contract Number:: AC52-06NA25396; 20160156ER

Resource Type:: Accepted Manuscript

Journal Name:: Advances in Engineering Software

Additional Journal Information:: Journal Volume: 115; Journal ID: ISSN 0965-9978

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 97 MATHEMATICS AND COMPUTING

Citation Formats


                    Eghtesad, Adnan, Germaschewski, Kai, Beyerlein, Irene J., Hunter, Abigail, and Knezevic, Marko. Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces.  United States: N. p., 2017. 
Web.  doi:10.1016/j.advengsoft.2017.09.010.

Copy to clipboard


                    Eghtesad, Adnan, Germaschewski, Kai, Beyerlein, Irene J., Hunter, Abigail, & Knezevic, Marko. Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces.  United States.  https://doi.org/10.1016/j.advengsoft.2017.09.010

Copy to clipboard


                    Eghtesad, Adnan, Germaschewski, Kai, Beyerlein, Irene J., Hunter, Abigail, and Knezevic, Marko. Sat .  
"Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces".  United States.  https://doi.org/10.1016/j.advengsoft.2017.09.010.  https://www.osti.gov/servlets/purl/1402642.

Copy to clipboard


                    
@article{osti_1402642,

  title        = {Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces},

  author       = {Eghtesad, Adnan and Germaschewski, Kai and Beyerlein, Irene J. and Hunter, Abigail and Knezevic, Marko},

  abstractNote = {We present the first high-performance computing implementation of the meso-scale phase field dislocation dynamics (PFDD) model on a graphics processing unit (GPU)-based platform. The implementation takes advantage of the portable OpenACC standard directive pragmas along with Nvidia's compute unified device architecture (CUDA) fast Fourier transform (FFT) library called CUFFT to execute the FFT computations within the PFDD formulation on the same GPU platform. The overall implementation is termed ACCPFDD-CUFFT. The package is entirely performance portable due to the use of OPENACC-CUDA inter-operability, in which calls to CUDA functions are replaced with the OPENACC data regions for a host central processing unit (CPU) and device (GPU). A comprehensive benchmark study has been conducted, which compares a number of FFT routines, the Numerical Recipes FFT (FOURN), Fastest Fourier Transform in the West (FFTW), and the CUFFT. The last one exploits the advantages of the GPU hardware for FFT calculations. The novel ACCPFDD-CUFFT implementation is verified using the analytical solutions for the stress field around an infinite edge dislocation and subsequently applied to simulate the interaction and motion of dislocations through a bi-phase copper-nickel (Cu–Ni) interface. It is demonstrated that the ACCPFDD-CUFFT implementation on a single TESLA K80 GPU offers a 27.6X speedup relative to the serial version and a 5X speedup relative to the 22-multicore Intel Xeon CPU E5-2699 v4 @ 2.20 GHz version of the code.},

  doi          = {10.1016/j.advengsoft.2017.09.010},

  journal      = {Advances in Engineering Software},

  number       = ,

  volume       = 115,

  place        = {United States},

  year         = {2017},

  month        = {10}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1016/j.advengsoft.2017.09.010

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 10 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Investigation of Portable Event-Based Monte Carlo Transport Using the NVIDIA Thrust Library

Journal Article Bleile, Ryan C. ; Department of Computer and Information Science, University of Oregon, Eugene, OR 97403 ; Brantley, Patrick S. ; ... - Transactions of the American Nuclear Society

Power consumption considerations are driving future high performance computing platforms toward many-core computing architectures. Los Alamos National Laboratory's Trinity machine, available in 2016, will use both Intel Xeon Haswell processors and Intel Xeon Phi Knights Landing many integrated core (MIC) architecture coprocessors. Lawrence Livermore National Laboratory's Sierra machine, available in 2018, will use an IBM PowerPC architecture along with Nvidia graphics processing unit (GPU) architecture accelerators. These different advanced architectures make the computing landscape in upcoming years complex. Traditional approaches to Monte Carlo transport do not work efficiently on these new computing platforms. MIC architectures require vectorization to operate efficiently,more »« less
OpenMP and MPI implementations of an elasto-viscoplastic fast Fourier transform-based micromechanical solver for fast crystal plasticity modeling

Journal Article Eghtesad, Adnan ; Barrett, Timothy J. ; Germaschewski, Kai ; ... - Advances in Engineering Software

Here, we explore several parallel implementations of an elasto-viscoplastic fast Fourier transform (EVPFFT) model using Message Passing Interface (MPI), OpenMP, and a hybrid of MPI and OpenMP to efficiently predict micromechanical response of polycrystals. Performance studies using EVPFFT are performed based on domain decomposition over voxels of a periodic cell, which is a representative volume element (RVE) of polycrystalline copper. We begin by parallelizing the computationally intensive Newton–Raphson (NR) single crystal solver within EVPFFT. Next, we compare the performance of the serial and parallel FFTW (Fastest Fourier Transform in the West) using OpenMP (OpenMP-FFTW) and MPI (MPI-FFTW) with the originalmore »« less
Cited by 30
https://doi.org/10.1016/j.advengsoft.2018.09.010

Full Text Available
Porting the WAVEWATCH III (v6.07) wave action source terms to GPU

Journal Article Ikuyajolu, Olawale James ; Van Roekel, Luke ; Brus, Steven R. ; ... - Geoscientific Model Development (Online)

Surface gravity waves play a critical role in several processes, including mixing, coastal inundation, and surface fluxes. Despite the growing literature on the importance of ocean surface waves, wind–wave processes have traditionally been excluded from Earth system models (ESMs) due to the high computational costs of running spectral wave models. The development of the Next Generation Ocean Model for the DOE’s (Department of Energy) E3SM (Energy Exascale Earth System Model) Project partly focuses on the inclusion of a wave model, WAVEWATCH III (WW3), into E3SM. WW3, which was originally developed for operational wave forecasting, needs to be computationally less expensivemore »« less
https://doi.org/10.5194/gmd-16-1445-2023
Compiler-based code generation and autotuning for geometric multigrid on GPU-accelerated supercomputers

Journal Article Basu, Protonu ; Williams, Samuel ; Van Straalen, Brian ; ... - Parallel Computing

GPUs, with their high bandwidths and computational capabilities are an increasingly popular target for scientific computing. Unfortunately, to date, harnessing the power of the GPU has required use of a GPU-specific programming model like CUDA, OpenCL, or OpenACC. Thus, in order to deliver portability across CPU-based and GPU-accelerated supercomputers, programmers are forced to write and maintain two versions of their applications or frameworks. In this paper, we explore the use of a compiler-based autotuning framework based on CUDA-CHiLL to deliver not only portability, but also performance portability across CPU- and GPU-accelerated platforms for the geometric multigrid linear solvers found inmore »« less
Cited by 10
https://doi.org/10.1016/j.parco.2017.04.002

Full Text Available
Towards Achieving Performance Portability Using Directives for Accelerators

Conference Lopez, M. Graham ; Larrea, Veronica Vergara ; Joubert, Wayne ; ...

In this paper we explore the performance portability of directives provided by OpenMP 4 and OpenACC to program various types of node architectures with attached accelerators, both self-hosted multicore and offload multicore/GPU. Our goal is to examine how successful OpenACC and the newer offload features of OpenMP 4.5 are for moving codes between architectures, how much tuning might be required and what lessons we can learn from this experience. To do this, we use examples of algorithms with varying computational intensities for our evaluation, as both compute and data access efficiency are important considerations for overall application performance. We implementmore »« less
https://doi.org/10.1109/WACCPD.2016.006

Similar Records