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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

Quantization is a popular technique used in Deep Neural Networks (DNN) inference to reduce the size of models and improve the overall numerical performance by exploiting native hardware. This paper attempts to conduct an elaborate…

Performance · Computer Science 2023-03-10 Hyunho Ahn , Tian Chen , Nawras Alnaasan , Aamir Shafi , Mustafa Abduljabbar , Hari Subramoni , Dhabaleswar K. , Panda

FPGA accelerators for lightweight neural convolutional networks (LWCNNs) have recently attracted significant attention. Most existing LWCNN accelerators focus on single-Computing-Engine (CE) architecture with local optimization. However,…

Hardware Architecture · Computer Science 2024-12-17 Zhiyuan Zhao , Yihao Chen , Pengcheng Feng , Jixing Li , Gang Chen , Rongxuan Shen , Huaxiang Lu

This study presents a benchmarking analysis of the Qualcomm Cloud AI 100 Ultra (QAic) accelerator for large language model (LLM) inference, evaluating its energy efficiency (throughput per watt), performance, and hardware scalability…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-30 Mohammad Firas Sada , John J. Graham , Elham E Khoda , Mahidhar Tatineni , Dmitry Mishin , Rajesh K. Gupta , Rick Wagner , Larry Smarr , Thomas A. DeFanti , Frank Würthwein

This paper presents Flash, an optimized private inference (PI) hybrid protocol utilizing both homomorphic encryption (HE) and secure two-party computation (2PC), which can reduce the end-to-end PI latency for deep CNN models less than 1…

Cryptography and Security · Computer Science 2025-01-20 Hyeri Roh , Jinsu Yeo , Yeongil Ko , Gu-Yeon Wei , David Brooks , Woo-Seok Choi

Specialized hardware like application-specific integrated circuits (ASICs) remains the primary accelerator type for cryptographic kernels based on large integer arithmetic. Prior work has shown that commodity and server-class GPUs can…

Cryptography and Security · Computer Science 2025-09-17 Naifeng Zhang , Sophia Fu , Franz Franchetti

Two distinguishing features of state-of-the-art mobile and autonomous systems are 1) there are often multiple workloads, mainly deep neural network (DNN) inference, running concurrently and continuously; and 2) they operate on shared memory…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-02-08 Ismet Dagli , Mehmet Belviranli

We perform an end-to-end benchmark of a hybrid sequential quantum computing (HSQC) solver for higher-order unconstrained binary optimization (HUBO), executed on IBM Heron r3 quantum processors to evaluate the potential of current quantum…

Binarized Neural Networks (BNNs) significantly reduce the computation and memory demands with binarized weights and activations compared to full-precision NNs. Executing a layer in a BNN on different devices of a heterogeneous…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-01-13 Leonard David Bereholschi , Ching-Chi Lin , Mikail Yayla , Jian-Jia Chen

This work studies the porting and optimization of the tensor network simulator QTensor on GPUs, with the ultimate goal of simulating quantum circuits efficiently at scale on large GPU supercomputers. We implement NumPy, PyTorch, and CuPy…

Quantum Physics · Physics 2022-04-14 Danylo Lykov , Angela Chen , Huaxuan Chen , Kristopher Keipert , Zheng Zhang , Tom Gibbs , Yuri Alexeev

This paper consists of three parts. The first part provides a unified programming model for heterogeneous computing with CPU and accelerator (like GPU, FPGA, Google TPU, Atos QPU, and more) technologies. To some extent, this new programming…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-31 Yuqing Xiong

Power density constraints are limiting the performance improvements of modern CPUs. To address this we have seen the introduction of lower-power, multi-core processors, but the future will be even more exciting. In order to stay within the…

Instrumentation and Detectors · Physics 2016-01-20 Giuseppe Cerati , Peter Elmer , Steven Lantz , Kevin McDermott , Dan Riley , Matevž Tadel , Peter Wittich , Frank Würthwein , Avi Yagil

Comprehending the performance bottlenecks at the core of the intricate hardware-software interactions exhibited by highly parallel programs on HPC clusters is crucial. This paper sheds light on the issue of automatically asynchronous MPI…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-06 Ayesha Afzal , Georg Hager , Stefano Markidis , Gerhard Wellein

We present a highly parallel implementation of the cross-correlation of time-series data using graphics processing units (GPUs), which is scalable to hundreds of independent inputs and suitable for the processing of signals from "Large-N"…

Instrumentation and Methods for Astrophysics · Physics 2011-08-02 M. A. Clark , P. C. La Plante , L. J. Greenhill

The modern trend in High-Performance Computing (HPC) involves the use of accelerators such as Graphics Processing Units (GPUs) alongside Central Processing Units (CPUs) to speed up numerical operations in various applications. Leading…

Mathematical Software · Computer Science 2025-07-25 Giulio Malenza , Giovanni Stabile , Filippo Spiga , Robert Birke , Marco Aldinucci

This paper presents a comprehensive comparison of three dominant parallel programming models in High Performance Computing (HPC): Message Passing Interface (MPI), Open Multi-Processing (OpenMP), and Compute Unified Device Architecture…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-19 Nizar ALHafez , Ahmad Kurdi

Achieving efficient task parallelism on many-core architectures is an important challenge. The widely used GNU OpenMP implementation of the popular OpenMP parallel programming model incurs high overhead for fine-grained, short-running tasks…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-20 Wenyi Wang , Maxime Gonthier , Poornima Nookala , Haochen Pan , Ian Foster , Ioan Raicu , Kyle Chard

We modified a MPI-friendly density functional theory (DFT) source code within hybrid parallelization including CUDA. Our objective is to find out how simple conversions within the hybrid parallelization with mid-range GPUs affect DFT code…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-07-23 Jae-Hyeon Parq , Erik Sevre , Sang-Mook Lee

Large language models (LLMs) have been widely deployed for online generative services, where numerous LLM instances jointly handle workloads with fluctuating request arrival rates and variable request lengths. To efficiently execute…

Hardware Architecture · Computer Science 2026-03-06 Cong Li , Yihan Yin , Chenhao Xue , Zhao Wang , Fujun Bai , Yixin Guo , Xiping Jiang , Qiang Wu , Yuan Xie , Guangyu Sun

As quantum computing hardware rapidly advances, objectively evaluating the capabilities and error rates of new processors remains a critical challenge for the field. A clear and realistic understanding of current quantum performance is…

Quantum Physics · Physics 2026-04-21 Nitay Mayo , Tal Mor , Yossi Weinstein