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Molecular dynamics (MD) simulation is one of the past decade's most important tools for enabling biology scientists and researchers to explore human health and diseases. However, due to the computation complexity of the MD algorithm, it…

计算物理 · 物理学 2016-11-15 Jason Cong , Zhenman Fang , Hassan Kianinejad , Peng Wei

Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…

分布式、并行与集群计算 · 计算机科学 2018-08-14 Michael Schaffner , Luca Benini

Graphics Processing Units (GPUs) are now powerful and flexible systems adapted and used for other purposes than graphics calculations (General Purpose computation on GPU -- GPGPU). We present here a prototype to be integrated into…

分布式、并行与集群计算 · 计算机科学 2007-06-13 Sylvain Collange , Marc Daumas , David Defour

The high-performance scalable parallel algorithm for rigorous calculation of partition function of lattice systems with finite number Ising spins was developed. The parallel calculations run by C++ code with using of Message Passing…

分布式、并行与集群计算 · 计算机科学 2012-02-21 Alexey A. Peretyatko , Ivan A. Bogatyrev , Vitaliy Yu. Kapitan , Yury V. Kirienko , Konstantin V. Nefedev , Valery I. Belokon

Numerical studies of shock waves in large scale systems via kinetic simulations with millions of particles are too computationally demanding to be processed in serial. In this work we focus on optimizing the parallel performance of a…

Simulation of quantum systems is notoriously challenging for classical computers, while quantum hardware is naturally well-suited for this task. However, the imperfections of contemporary quantum systems poses a considerable challenge in…

量子物理 · 物理学 2025-01-10 Yotam Shapira , Jovan Markov , Nitzan Akerman , Ady Stern , Roee Ozeri

Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…

天体物理仪器与方法 · 物理学 2015-06-15 Roberto Capuzzo-Dolcetta , Mario Spera

This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

计算物理 · 物理学 2013-11-20 R. Meyer

We design and implement HPMC, a scalable hard particle Monte Carlo simulation toolkit, and release it open source as part of HOOMD-blue. HPMC runs in parallel on many CPUs and many GPUs using domain decomposition. We employ BVH trees…

软凝聚态物质 · 物理学 2016-06-22 Joshua A. Anderson , M. Eric Irrgang , Sharon C. Glotzer

We develop and study FPGA implementations of algorithms for charged particle tracking based on graph neural networks. The two complementary FPGA designs are based on OpenCL, a framework for writing programs that execute across heterogeneous…

Accelerated computing is widely used in high-performance computing. Therefore, it is crucial to experiment and discover how to better utilize GPUGPUs latest generations on relevant applications. In this paper, we present results and share…

分布式、并行与集群计算 · 计算机科学 2024-08-13 Baodi Shan , Mauricio Araya-Polo

We created an efficient algorithm suitable for graphics processing units (GPUs) to perform Monte Carlo simulations of a subset of reaction-diffusion models. The algorithm uses techniques that are specific to GPU programming, and combines…

计算物理 · 物理学 2013-03-06 R. D. Schram

There is a large body of legacy scientific code written in languages like Fortran that is not optimised to get the best performance out of heterogeneous acceleration devices like GPUs and FPGAs, and manually porting such code into parallel…

性能 · 计算机科学 2019-01-25 Wim Vanderbauwhede , Syed Waqar Nabi

This paper presents a workflow for synthesizing near-optimal FPGA implementations for structured-mesh based stencil applications for explicit solvers. It leverages key characteristics of the application class, its computation-communication…

硬件体系结构 · 计算机科学 2021-01-08 Kamalavasan Kamalakkannan , Gihan R. Mudalige , Istvan Z. Reguly , Suhaib A. Fahmy

Hardware-based acceleration is an extensive attempt to facilitate many computationally-intensive mathematics operations. This paper proposes an FPGA-based architecture to accelerate the convolution operation - a complex and expensive…

Micro-macro models provide a powerful tool to study the relationship between microscale mechanisms and emergent macroscopic behavior. However, the detailed microscopic modeling may require tracking and evolving a high-dimensional…

计算物理 · 物理学 2019-08-13 Steven Cook , Tamar Shinar

Monte Carlo simulation is an unbiased numerical tool for studying classical and quantum many-body systems. One of its bottlenecks is the lack of general and efficient update algorithm for large size systems close to phase transition or with…

强关联电子 · 物理学 2017-01-11 Junwei Liu , Yang Qi , Zi Yang Meng , Liang Fu

FPGA is appropriate for fix-point neural networks computing due to high power efficiency and configurability. However, its design must be intensively refined to achieve high performance using limited hardware resources. We present an…

硬件体系结构 · 计算机科学 2022-01-03 Qingyang Yi , Heming Sun , Masahiro Fujita

This paper evaluates the use of pin and cycle accurate SystemC models for embedded system design exploration and early software development. The target system is MicroBlaze VanillaNet Platform running MicroBlaze uClinux operating system.…

硬件体系结构 · 计算机科学 2011-11-09 Tero Rissa , Adam Donlin , Wayne Luk

While FPGAs have been used extensively as hardware accelerators in industrial computation, no theoretical model of computation has been devised for the study of FPGA-based accelerators. In this paper, we present a theoretical model of…

数据结构与算法 · 计算机科学 2018-11-19 Martin Hora , Václav Končický , Jakub Tětek