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Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

Computational Physics · Physics 2017-06-27 Zheyong Fan , Wei Chen , Ville Vierimaa , Ari Harju

Improving time-to-solution in molecular dynamics simulations often requires strong scaling due to fixed-sized problems. GROMACS is highly latency-sensitive, with peak iteration rates in the sub-millisecond, making scalability on…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-29 Mahesh Doijade , Andrey Alekseenko , Ania Brown , Alan Gray , Szilárd Páll

The global scarcity of GPUs necessitates more sophisticated strategies for Deep Learning jobs in shared cluster environments. Accurate estimation of how much GPU memory a job will require is fundamental to enabling advanced scheduling and…

Performance · Computer Science 2025-10-27 Jiabo Shi , Dimitrios Pezaros , Yehia Elkhatib

Within the scope of reacting flow simulations, the real-time direct integration (DI) of stiff ordinary differential equations (ODE) for the computation of chemical kinetics stands as the primary demand on computational resources. Meanwhile,…

Fluid Dynamics · Physics 2024-03-01 Min Zhang , Runze Mao , Han Li , Zhenhua An , Zhi X. Chen

The growing demand for efficient, high-performance processing in machine learning (ML) and image processing has made hardware accelerators, such as GPUs and Data Streaming Accelerators (DSAs), increasingly essential. These accelerators…

Hardware Architecture · Computer Science 2025-04-17 Qunyou Liu , Marina Zapater , David Atienza

In this dissertation, we propose a memory and computing coordinated methodology to thoroughly exploit the characteristics and capabilities of the GPU-based heterogeneous system to effectively optimize applications' performance and privacy.…

Cryptography and Security · Computer Science 2022-09-07 Zhendong Wang , Yang Hu

Modern Graphics Processing Units (GPUs) are well provisioned to support the concurrent execution of thousands of threads. Unfortunately, different bottlenecks during execution and heterogeneous application requirements create imbalances in…

Artificial Intelligence (AI) applications, such as Large Language Models, are primarily driven and executed by Graphics Processing Units (GPUs). These GPU programs (kernels) consume substantial amounts of energy, yet software developers…

Software Engineering · Computer Science 2026-01-21 Saurabhsingh Rajput , Alexander Brandt , Vadim Elisseev , Tushar Sharma

GPUs have limited memory and it is difficult to train wide and/or deep models that cause the training process to go out of memory. It is shown in this paper how an open source tool called Large Model Support (LMS) can utilize a high…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-11-30 Samuel Matzek , Max Grossman , Minsik Cho , Anar Yusifov , Bryant Nelson , Amit Juneja

Autonomous mobile robots (AMRs), used for search-and-rescue and remote exploration, require fast and robust planning and control schemes. Sampling-based approaches for Model Predictive Control, especially approaches based on the Model…

Robotics · Computer Science 2026-01-27 Tanmay Desai , Brian Plancher , R. Iris Bahar

Artificial Intelligence (AI) workloads drive a rapid expansion of high-performance computing (HPC) infrastructures and increase their power and energy demands towards a critical level. AI benchmarks representing state-of-the art workloads…

Performance · Computer Science 2026-03-18 Martin Mayr , Sebastian Wind , Lukas Schröder , Georg Hager , Harald Köstler , Gerhard Wellein

We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…

Graphics · Computer Science 2024-03-27 Manas Kale , Paul G. Kry

Heterogeneous computing platforms consisting of general purpose processors (GPPs) and graphics processing units (GPUs) have become commonplace in personal mobile devices and embedded systems. For years, programming of these platforms was…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-11 Jani Boutellier , Ilkka Hautala

OpenMP has been the de facto standard for single node parallelism for more than a decade. Recently, asynchronous many-task runtime (AMT) systems have increased in popularity as a new programming paradigm for high performance computing…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-02-20 Tianyi Zhang , Shahrzad Shirzad , Bibek Wagle , Adrian S. Lemoine , Patrick Diehl , Hartmut Kaiser

Hybrid quantum-HPC algorithms advance research by delegating complex tasks to quantum processors and using HPC systems to orchestrate workflows and complementary computations. Sample-based quantum diagonalization (SQD) is a hybrid…

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…

Shared resource interference is observed by applications as dynamic performance asymmetry. Prior art has developed approaches to reduce the impact of performance asymmetry mainly at the operating system and architectural levels. In this…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-24 Jing Chen , Pirah Noor Soomro , Mustafa Abduljabbar , Madhavan Manivannan , Miquel Pericas

The proliferation of GPU-accelerated workloads, particularly in artificial intelligence and large language model (LLM) inference, has created unprecedented demand for efficient GPU resource sharing in cloud and container environments. While…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-30 Jithin VG , Ditto PS

This paper presents a heterogeneous adaptive mesh refinement (AMR) framework for efficient simulation of moderately stiff reactive problems. This framework features an elaborate subcycling-in-time algorithm along with a specialized…

Computational Physics · Physics 2025-06-04 Yuqi Wang , Yadong Zeng , Ralf Deiterding , Jianhan Liang

Cutting-edge embedded system applications, such as self-driving cars and unmanned drone software, are reliant on integrated CPU/GPU platforms for their DNNs-driven workload, such as perception and other highly parallel components. In this…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-03-20 Soroush Bateni , Zhendong Wang , Yuankun Zhu , Yang Hu , Cong Liu
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