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For many years, systems running Nvidia-based GPU architectures have dominated the heterogeneous supercomputer landscape. However, recently GPU chipsets manufactured by Intel and AMD have cut into this market and can now be found in some of…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-06-18 L. Apanasevich , Yogesh Kale , Himanshu Sharma , Ana Marija Sokovic

Over recent years heterogeneous systems have become more prevalent across HPC systems, with over 100 supercomputers in the TOP500 incorporating GPUs or other accelerators. These hardware platforms have different performance characteristics…

Performance · Computer Science 2019-04-11 John Lawson , Mehdi Goli , Duncan McBain , Daniel Soutar , Louis Sugy

With the appearance of the heterogeneous platform OpenPower,many-core accelerator devices have been coupled with Power host processors for the first time. Towards utilizing their full potential, it is worth investigating performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-07 Erik Zenker , René Widera , Axel Huebl , Guido Juckeland , Andreas Knüpfer , Wolfgang E. Nagel , Michael Bussmann

This paper assesses and reports the experience of ten teams working to port,validate, and benchmark several High Performance Computing applications on a novel GPU-accelerated Arm testbed system. The testbed consists of eight NVIDIA Arm HPC…

The present panorama of HPC architectures is extremely heterogeneous, ranging from traditional multi-core CPU processors, supporting a wide class of applications but delivering moderate computing performance, to many-core GPUs, exploiting…

Molecular dynamics simulations are one of the methods in scientific computing that benefit from GPU acceleration. For those devices, SYCL is a promising API for writing portable codes. In this paper, we present the case study of "HAL's MD…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-06-07 Viktor Skoblin , Felix Höfling , Steffen Christgau

The performance of discrete general purpose graphics processing units (GPGPUs) has been improving at a rapid pace. The PCIe interconnect that controls the communication of data between the system host memory and the GPU has not improved as…

Computational Physics · Physics 2019-05-15 Connor Kenyon , Glenn Volkema , Gaurav Khanna

Parallel computing can offer an enormous advantage regarding the performance for very large applications in almost any field: scientific computing, computer vision, databases, data mining, and economics. GPUs are high performance many-core…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-11-24 Bogdan Oancea , Tudorel Andrei , Raluca Mariana Dragoescu

GROMACS is a widely-used molecular dynamics software package with a focus on performance, portability, and maintainability across a broad range of platforms. Thanks to its early algorithmic redesign and flexible heterogeneous…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-26 Andrey Alekseenko , Szilárd Páll , Erik Lindahl

As the interest in FPGA-based accelerators for HPC applications increases, new challenges also arise, especially concerning different programming and portability issues. This paper aims to provide a snapshot of the current state of the FPGA…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-06 Manuel de Castro , Francisco J. andújar , Roberto R. Osorio , Rocío Carratalá-Sáez , Diego R. Llanos

As high-performance computing (HPC) systems rapidly evolve, with increasing on-node parallelism and widespread use of accelerators, understanding how the code maps to hardware is essential for reaching optimal performance. Benchmarks are…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-11 Michael McKinsey , Stephanie Brink , Olga Pearce

The two main thrusts of computational science are more accurate predictions and faster calculations; to this end, the zeitgeist in molecular dynamics (MD) simulations is pursuing machine learned and data driven interatomic models, e.g.…

Computational Physics · Physics 2020-02-24 Saaketh Desai , Samuel Temple Reeve , James F. Belak

NVIDIA has been the main provider of GPU hardware in HPC systems for over a decade. Most applications that benefit from GPUs have thus been developed and optimized for the NVIDIA software stack. Recent exascale HPC systems are, however,…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-12 Igor Sfiligoi , Emily A. Belli , Jeff Candy , Reuben D. Budiardja

Parallel computing is a standard approach to achieving high-performance computing (HPC). Three commonly used methods to implement parallel computing include: 1) applying multithreading technology on single-core or multi-core CPUs; 2)…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-18 Xinyao Yi

CUDA and OpenCL are two different frameworks for GPU programming. OpenCL is an open standard that can be used to program CPUs, GPUs, and other devices from different vendors, while CUDA is specific to NVIDIA GPUs. Although OpenCL promises a…

Performance · Computer Science 2011-05-17 Kamran Karimi , Neil G. Dickson , Firas Hamze

Recently, AMD platforms have not supported offloading C++17 PSTL (StdPar) programs to the GPU. Our previous work highlights how StdPar is able to achieve good performance across NVIDIA and Intel GPU platforms. In that work, we acknowledged…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-08 Wei-Chen Lin , Simon McIntosh-Smith , Tom Deakin

The exascale race is at an end with the announcement of the Aurora and Frontier machines. This next generation of supercomputers utilize diverse hardware architectures to achieve their compute performance, providing an added onus on the…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-26 Rahulkumar Gayatri , Stan Moore , Evan Weinberg , Nicholas Lubbers , Sarah Anderson , Jack Deslippe , Danny Perez , Aidan P. Thompson

Current climate change has posed a grand challenge in the field of numerical modeling due to its complex, multiscale dynamics. In hydrological modeling, the increasing demand for high-resolution, real-time simulations has led to the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-04 Johansell Villalobos , Daniel Caviedes-Voullième , Silvio Rizzi , Esteban Meneses

Efficiently exploiting GPUs is increasingly essential in scientific computing, as many current and upcoming supercomputers are built using them. To facilitate this, there are a number of programming approaches, such as CUDA, OpenACC and…

Performance · Computer Science 2017-11-07 G. D. Balogh , I. Z. Reguly , G. R. Mudalige

GPU runtimes are historically implemented in CUDA or other vendor specific languages dedicated to GPU programming. In this work we show that OpenMP 5.1, with minor compiler extensions, is capable of replacing existing solutions without a…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-06 Shilei Tian , Jon Chesterfield , Johannes Doerfert , Barbara Chapman