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We present direct astrophysical N-body simulations with up to a few million bodies using our parallel MPI/CUDA code on large GPU clusters in China, Ukraine and Germany, with different kinds of GPU hardware. These clusters are directly…

Instrumentation and Methods for Astrophysics · Physics 2013-12-09 P. Berczik , R. Spurzem , L. Wang , S. Zhong , O. Veles , I. Zinchenko , S. Huang , M. Tsai , G. Kennedy , S. Li , L. Naso , C. Li

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…

Energy is now a first-class design constraint along with performance in all computing settings. Energy predictive modelling based on performance monitoring counts (PMCs) is the leading method used for prediction of energy consumption during…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-09-28 Arsalan Shahid , Muhammad Fahad , Ravi Reddy Manumachu , Alexey Lastovetsky

Analytical framework for predicting General Matrix Multiplication (GEMM) performance on modern GPUs, focusing on runtime, power consumption, and energy efficiency. Our study employs two approaches: a custom-implemented tiled matrix…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-27 Xiaoteng , Liu , Pavly Halim

The rapid growth of data volume brings big challenges to the data center computing, and energy efficiency is one of the most concerned problems. Researchers from various fields are now proposing solutions to green the data center…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-17 Runlin Zhou , Yingjie Shi , Chunge Zhu , Fan Liu

In this paper, we present results obtained using QMCTorch, a modular framework for real-space Quantum Monte Carlo (QMC) simulations of small molecular systems. Built on the popular deep learning library PyTorch, QMCTorch is GPU-native and…

Chemical Physics · Physics 2025-06-12 Nicolas Renaud

Collocating deep learning training tasks improves GPU utilization but risks resource contention, severe slowdowns, and out-of-memory (OOM) failures. Accurate memory estimation is essential for robust collocation, and GPU utilization…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-29 Ehsan Yousefzadeh-Asl-Miandoab , Reza Karimzadeh , Danyal Yorulmaz , Bulat Ibragimov , Pınar Tözün

Monte Carlo (MC) simulations play a pivotal role in diverse scientific and engineering domains, with applications ranging from nuclear physics to materials science. Harnessing the computational power of high-performance computing (HPC)…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-13 Yehonatan Fridman , Guy Tamir , Uri Steinitz , Gal Oren

The magnitude of the real-time digital signal processing challenge attached to large radio astronomical antenna arrays motivates use of high performance computing (HPC) systems. The need for high power efficiency (performance per watt) at…

Instrumentation and Methods for Astrophysics · Physics 2015-10-21 D. C. Price , M. A. Clark , B. R. Barsdell , R. Babich , L. J. Greenhill

We have developed GPU versions for two major high-performance-computing (HPC) applications originating from two different scientific domains. GENE is a plasma microturbulence code which is employed for simulations of nuclear fusion plasmas.…

Computational Physics · Physics 2013-10-08 Tilman Dannert , Andreas Marek , Markus Rampp

We examine large-eddy-simulation modeling approaches and computational performance of two open-source computational fluid dynamics codes for the simulation of atmospheric boundary layer (ABL) flows that are of direct relevance to wind…

Computational Engineering, Finance, and Science · Computer Science 2022-10-04 Misun Min , Michael Brazell , Ananias Tomboulides , Matthew Churchfield , Paul Fischer , Michael Sprague

In the context of GreenPAD project it is important to predict the energy consumption of individual (and mixture of) VMs / workload for optimal scheduling (running those VMs which require higher energy when there is more green energy…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-02-25 Ankur Sahai

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

General-purpose Computing on Graphics Processing Units (GPGPU) has been introduced to many areas of scientific research such as bioinformatics, cryptography, computer vision, and deep learning. However, computing models in the High-energy…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-07-23 Max Isacson , Mattias Ellert , Richard Brenner

We ported to the GPU with CUDA the Astrometric Verification Unit-Global Sphere Reconstruction (AVU-GSR) Parallel Solver developed for the ESA Gaia mission, by optimizing a previous OpenACC porting of this application. The code aims to find,…

Instrumentation and Methods for Astrophysics · Physics 2023-08-03 Valentina Cesare , Ugo Becciani , Alberto Vecchiato , Mario Gilberto Lattanzi , Fabio Pitari , Marco Aldinucci , Beatrice Bucciarelli

The molecular dynamics simulation package GROMACS runs efficiently on a wide variety of hardware from commodity workstations to high performance computing clusters. Hardware features are well exploited with a combination of SIMD,…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-14 Carsten Kutzner , Szilárd Páll , Martin Fechner , Ansgar Esztermann , Bert L. de Groot , Helmut Grubmüller

Power management is an expensive and important issue for large computational infrastructures such as datacenters, large clusters, and computational grids. However, measuring energy consumption of scalable systems may be impractical due to…

Machine Learning · Computer Science 2017-09-20 Lucas Venezian Povoa , Cesar Marcondes , Hermes Senger

This paper investigates the application of a robust CPU-based power modelling methodology that performs an automatic search of explanatory events derived from performance counters to embedded GPUs. A 64-bit Tegra TX1 SoC is configured with…

Other Computer Science · Computer Science 2020-06-23 Jose Nunez-Yanez , Kris Nikov , Kerstin Eder , Mohammad Hosseinabady

GPUs have become indispensable in high-performance computing, machine learning, and many other domains. Efficiently utilizing the memory subsystem on GPUs is critical for maximizing computing power through massive parallelism. Analyzing…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-28 Yanbo Zhao , Jinku Cui , Zecheng Li , Shuyin Jiao , Xu Liu , Jiajia Li

The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…

Chemical Physics · Physics 2015-07-03 Fang Liu , Nathan Luehr , Heather J. Kulik , Todd J. Martínez