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The high arithmetic performance and intrinsic parallelism of recent graphical processing units (GPUs) can offer a technological edge for molecular dynamics simulations. ACEMD is a production-class bio-molecular dynamics (MD) simulation…

Computational Physics · Physics 2009-02-06 M. J. Harvey , G. Giupponi , G. De Fabritiis

SmartNIC Data Processing Units (DPUs) offer a promising solution for saving high-end CPU resources by offloading tasks to programmable cores near the network interface. In this work, we explore the feasibility of SmartNIC DPUs in supporting…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-25 Jacob Wahlgren , Andong Hu , Roger Pearce , Maya Gokhale , Ivy Peng

With the growing performance requirements on networked applications, there is a new trend of offloading stateful network applications to SmartNICs to improve performance and reduce the total cost of ownership. However, offloading stateful…

Networking and Internet Architecture · Computer Science 2024-10-30 Shaoke Xi , Jiaqi Gao , Mengqi Liu , Jiamin Cao , Fuliang Li , Kai Bu , Kui Ren , Minlan Yu , Dennis Cai , Ennan Zhai

This paper discusses that there is significant benefit in providing stronger security at lower layers of the network stack for hosts connected to a network. It claims to reduce the attack vulnerability of a networked host by providing…

Networking and Internet Architecture · Computer Science 2008-12-18 Arun Kumar S P

The exponential growth of data traffic and the increasing complexity of networked applications demand effective solutions capable of passively inspecting and analysing the network traffic for monitoring and security purposes. Implementing…

Networking and Internet Architecture · Computer Science 2024-07-24 Luca Deri , Alfredo Cardigliano , Francesco Fusco

GPUs are the heart of the latest generations of supercomputers. We efficiently accelerate a compressible multiphase flow solver via OpenACC on NVIDIA and AMD Instinct GPUs. Optimization is accomplished by specifying the directive clauses…

Hardware accelerators have become a de-facto standard to achieve high performance on current supercomputers and there are indications that this trend will increase in the future. Modern accelerators feature high-bandwidth memory next to the…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-06-07 Ivy Bo Peng , Roberto Gioiosa , Gokcen Kestor , Erwin Laure , Stefano Markidis

We introduce a high-throughput neural network accelerator that embeds most network layers directly in hardware, minimizing data transfer and memory usage while preserving a degree of flexibility via a small neural processing unit for the…

Hardware Architecture · Computer Science 2025-12-16 Jonathan Herbst , Michael Pellauer , Sherief Reda

Compute-in-memory (CIM) techniques are widely employed in energy-efficient artificial intelligent (AI) processors. They alleviate power and latency bottlenecks caused by extensive data movements between compute and storage units. To extend…

Hardware Architecture · Computer Science 2025-12-15 Jianyi Yu , Tengxiao Wang , Yuxuan Wang , Xiang Fu , Fei Qiao , Ying Wang , Rui Yuan , Liyuan Liu , Cong Shi

Intel Xeon Phi many-integrated-core (MIC) architectures usher in a new era of terascale integration. Among emerging killer applications, parallel graph processing has been a critical technique to analyze connected data. In this paper, we…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-26 Lei Jiang , Langshi Chen , Judy Qiu

Deep neural network inference accelerators are rapidly growing in importance as we turn to massively parallelized processing beyond GPUs and ASICs. The dominant operation in feedforward inference is the multiply-and-accumlate process, where…

Hardware Architecture · Computer Science 2021-02-15 Jason K. Eshraghian , Kyoungrok Cho , Sung Mo Kang

The rapid development in scientific research provides a need for more compute power, which is partly being solved by GPUs. This paper presents a microarchitectural analysis of the modern NVIDIA Blackwell architecture by studying GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-23 Aaron Jarmusch , Nathan Graddon , Sunita Chandrasekaran

For computational fluid dynamics (CFD) applications with a large number of grid points/cells, parallel computing is a common efficient strategy to reduce the computational time. How to achieve the best performance in the modern…

Performance · Computer Science 2018-03-12 Yong-Xian Wang , Li-Lun Zhang , Wei Liu , Xing-Hua Cheng , Yu Zhuang , Anthony T. Chronopoulos

Deployment of modern TinyML tasks on small battery-constrained IoT devices requires high computational energy efficiency. Analog In-Memory Computing (IMC) using non-volatile memory (NVM) promises major efficiency improvements in deep neural…

Hardware Architecture · Computer Science 2022-01-05 Angelo Garofalo , Gianmarco Ottavi , Francesco Conti , Geethan Karunaratne , Irem Boybat , Luca Benini , Davide Rossi

This paper presents datacenter power profiles, a new NVIDIA software feature released with Blackwell B200, aimed at improving energy efficiency and/or performance. The initial feature provides coarse-grain user control for HPC and AI…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-08 Sreedhar Narayanaswamy , Pratikkumar Dilipkumar Patel , Ian Karlin , Apoorv Gupta , Sudhir Saripalli , Janey Guo

The everlasting demand for higher computing power for deep neural networks (DNNs) drives the development of parallel computing architectures. 3D integration, in which chips are integrated and connected vertically, can further increase…

Hardware Architecture · Computer Science 2021-02-19 Jan Moritz Joseph , Ananda Samajdar , Lingjun Zhu , Rainer Leupers , Sung-Kyu Lim , Thilo Pionteck , Tushar Krishna

This work introduces MICSim, an open-source, pre-circuit simulator designed for early-stage evaluation of chip-level software performance and hardware overhead of mixed-signal compute-in-memory (CIM) accelerators. MICSim features a modular…

Artificial Intelligence · Computer Science 2024-12-18 Cong Wang , Zeming Chen , Shanshi Huang

With the widespread use of Deep Neural Networks (DNNs), machine learning algorithms have evolved in two diverse directions -- one with ever-increasing connection density for better accuracy and the other with more compact sizing for energy…

Hardware Architecture · Computer Science 2021-07-07 Gokul Krishnan , Sumit K. Mandal , Chaitali Chakrabarti , Jae-sun Seo , Umit Y. Ogras , Yu Cao

Using a realistic molecular catalyst system, we conduct scaling studies of ab initio molecular dynamics simulations using the CP2K code on both Intel Xeon CPU and NVIDIA V100 GPU architectures. We explore using process placement and…

Performance · Computer Science 2021-09-13 Dewi Yokelson , Nikolay V. Tkachenko , Robert Robey , Ying Wai Li , Pavel A. Dub

As the technology industry is moving towards implementing tasks such as natural language processing, path planning, image classification, and more on smaller edge computing devices, the demand for more efficient implementations of…

Machine Learning · Computer Science 2022-11-24 Peyton Chandarana , Mohammadreza Mohammadi , James Seekings , Ramtin Zand