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RUMD is a general purpose, high-performance molecular dynamics (MD) simulation package running on graphical processing units (GPU's). RUMD addresses the challenge of utilizing the many-core nature of modern GPU hardware when simulating…

The deployment of Quantized Neural Networks (QNNs) on resource-constrained edge devices, such as microcontrollers (MCUs), introduces fundamental challenges in balancing model performance, computational complexity, and memory constraints.…

Machine Learning · Computer Science 2026-01-08 Hamza A. Abushahla , Dara Varam , Ariel Justine N. Panopio , Mohamed I. AlHajri

Creating and destroying threads on modern Linux systems incurs high latency, absent concurrency, and fails to scale as we increase concurrency. To address this concern we introduce a process-local cache of idle threads. Specifically,…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-18 Dave Dice , Alex Kogan

PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. While the computational cost of PLUMED…

Computational Physics · Physics 2025-11-05 Daniele Rapetti , Massimiliano Bonomi , Carlo Camilloni , Giovanni Bussi , Gareth A. Tribello

Streaming algorithms are fundamental in the analysis of large and online datasets. A key component of many such analytic tasks is $q$-MAX, which finds the largest $q$ values in a number stream. Modern approaches attain a constant runtime by…

Data Structures and Algorithms · Computer Science 2024-07-11 Ran Ben-Basat , Gil Einziger , Wenchen Han , Bilal Tayh

Software quality research increasingly relies on large-scale datasets that measure both the product and process aspects of software systems. However, existing resources often focus on limited dimensions, such as code smells, technical debt,…

Software Engineering · Computer Science 2025-11-17 Mikel Robredo , Matteo Esposito , Davide Taibi , Rafael Peñaloza , Valentina Lenarduzzi

Fault-tolerance has always been an important topic when it comes to running massively parallel programs at scale. Statistically, hardware and software failures are expected to occur more often on systems gathering millions of computing…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-13 Julien Adam , Maxime Kermarquer , Jean-Baptiste Besnard , Leonardo Bautista-Gomez , Marc Perache , Patrick Carribault , Julien Jaeger , Allen D. Malony , Sameer Shende

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

The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…

Graphics Processing Units (GPUs) are having a transformational effect on numerical lattice quantum chromodynamics (LQCD) calculations of importance in nuclear and particle physics. The QUDA library provides a package of mixed precision…

High Energy Physics - Lattice · Physics 2010-12-06 Ronald Babich , Michael A. Clark , Bálint Joó

Progress in Prognostics and Health Management (PHM) is hindered by the lack of standardized and reusable evaluation practices across tasks, datasets, and application domains. Reported results are often difficult to reproduce and compare, as…

Artificial Intelligence · Computer Science 2026-05-28 Lev Telyatnikov , Raffael Theiler , Leandro Von Krannichfeldt , Olga Fink

Modern GPU systems are constantly evolving to meet the needs of computing-intensive applications in scientific and machine learning domains. However, there is typically a gap between the hardware capacity and the achievable application…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-02 Gabin Schieffer , Ruimin Shi , Stefano Markidis , Andreas Herten , Jennifer Faj , Ivy Peng

The hybrid MPI+X programming paradigm, where X refers to threads or GPUs, has gained prominence in the high-performance computing arena. This corresponds to a trend of system architectures growing more heterogeneous. The current MPI…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-31 Hui Zhou , Ken Raffenetti , Yanfei Guo , Rajeev Thakur

An overview is given of the lessons learned from the introduction of multi-threading using OpenMP in tmLQCD. In particular, programming style, performance measurements, cache misses, scaling, thread distribution for hybrid codes, race…

High Energy Physics - Lattice · Physics 2013-11-19 A. Deuzeman , K. Jansen , B. Kostrzewa , C. Urbach

We present LLMQ, an end-to-end CUDA/C++ implementation for medium-sized language-model training, e.g. 3B to 32B parameters, on affordable, commodity GPUs. These devices are characterized by low memory availability and slow communication…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-18 Erik Schultheis , Dan Alistarh

High-performance GPU kernels are critical for efficient LLM serving, yet their optimization remains a bottleneck requiring deep system expertise. While code LLMs show promise in generating functionally correct code, kernel optimization is…

Machine Learning · Computer Science 2026-02-12 Dezhi Ran , Shuxiao Xie , Mingfang Ji , Anmin Liu , Mengzhou Wu , Yuan Cao , Yuzhe Guo , Hao Yu , Linyi Li , Yitao Hu , Wei Yang , Tao Xie

Code review is a key development practice that contributes to improve software quality and to foster knowledge sharing among developers. However, code review usually takes time and demands detailed and time-consuming analysis of textual…

Software Engineering · Computer Science 2021-03-23 Rodrigo Brito , Marco Tulio Valente

This paper revisits the fundamental problem of monitoring the linearizability of concurrent stacks, queues, sets, and multisets. Given a history of a library implementing one of these abstract data types, the monitoring problem is to answer…

Programming Languages · Computer Science 2025-09-23 Parosh Aziz Abdulla , Samuel Grahn , Bengt Jonsson , Shankaranarayanan Krishna , Om Swostik Mishra

The current trend of multicore architectures on shared memory systems underscores the need of parallelism. While there are some programming model to express parallelism, thread programming model has become a standard to support these system…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-12-13 D. T. Hasta , A. B. Mutiara

With multi-core processors a ubiquitous building block of modern supercomputers, it is now past time to enable applications to embrace these developments in processor design. To achieve exascale performance, applications will need ways of…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-08-13 Michele Weiland , Lawrence Mitchell , Gerard Gorman , Stephan Kramer , Mark Parsons , James Southern
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