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Scientific applications that involve simulation ensembles can be accelerated greatly by using experiment design methods to select the best simulations to perform. Methods that use machine learning (ML) to create proxy models of simulations…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-16 Logan Ward , Ganesh Sivaraman , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Naveen Dandu , Paul C. Redfern , Rajeev S. Assary , Kyle Chard , Larry A. Curtiss , Rajeev Thakur , Ian Foster

Proxy-apps, or mini-apps, are simple self-contained benchmark codes with performance-relevant kernels extracted from real applications. Initially used to facilitate software-hardware co-design, they are a crucial ingredient for serious…

Computational Physics · Physics 2022-07-28 Rafael Ravedutti Lucio Machado , Jan Eitzinger , Harald Köstler , Gerhard Wellein

This work introduces CLIP, a CUDA-accelerated phase-field lattice Boltzmann framework for simulating immiscible two-phase flows with high density and viscosity ratios in both two- and three-dimensional domains. By leveraging GPU…

Fluid Dynamics · Physics 2025-05-20 Mehdi Shadkhah , Mohammad Taeibi Rahni , Azadeh Kebriaee , Mohammad Reza Salimi

This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…

Fluid Dynamics · Physics 2024-03-21 J. E. Marquardt , N. Hafen , M. J. Krause

This paper presents ExeGPT, a distributed system designed for constraint-aware LLM inference. ExeGPT finds and runs with an optimal execution schedule to maximize inference throughput while satisfying a given latency constraint. By…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-12 Hyungjun Oh , Kihong Kim , Jaemin Kim , Sungkyun Kim , Junyeol Lee , Du-seong Chang , Jiwon Seo

The Smoothed Particles Hydrodynamics (SPH) is a particle-based, meshfree, Lagrangian method used to simulate multidimensional fluids with arbitrary geometries, most commonly employed in astrophysics, cosmology, and computational…

Computational Engineering, Finance, and Science · Computer Science 2022-12-21 Aurélien Cavelan , Rubén M. Cabezón , Michal Grabarczyk , Florina M. Ciorba

We present the design and scalable implementation of an exascale climate emulator for addressing the escalating computational and storage requirements of high-resolution Earth System Model simulations. We utilize the spherical harmonic…

The expansion of large language models is increasingly limited by the constrained memory capacity of modern GPUs. To mitigate this, Mixture-of-Experts (MoE) architectures activate only a small portion of parameters during inference,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-31 Zixu Shen , Kexin Chu , Yifan Zhang , Dawei Xiang , Runxin Wu , Wei Zhang

The Quantum Lattice Boltzmann Method (QLBM) has emerged as one of the most promising quantum computing approaches for the numerical simulation of problems in computational fluid dynamics (CFD). The dynamics is formulated in terms of…

libEnsemble is a Python-based toolkit for running dynamic ensembles, developed as part of the DOE Exascale Computing Project. The toolkit utilizes a unique generator--simulator--allocator paradigm, where generators produce input for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-06 Stephen Hudson , Jeffrey Larson , John-Luke Navarro , Stefan M. Wild

Fluid simulations, especially at high Reynolds numbers, are computationally expensive on classical computers, making them promising application targets for quantum computing. Recent studies have combined the lattice Boltzmann method (LBM)…

Quantum Physics · Physics 2026-05-28 Kazumasa Ueno , Keita Kanno , Yasunori Lee

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

Particle accelerators are among the largest, most complex devices. To meet the challenges of increasing energy, intensity, accuracy, compactness, complexity and efficiency, increasingly sophisticated computational tools are required for…

Accelerator Physics · Physics 2023-01-13 Axel Huebl , Remi Lehe , Chad E. Mitchell , Ji Qiang , Robert D. Ryne , Ryan T. Sandberg , Jean-Luc Vay

High-fidelity simulations of unsteady fluid flow are now possible with advancements in high-performance computing hardware and software frameworks. Since computational fluid dynamics (CFD) computations are dominated by linear algebraic…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-02-28 Rahul Sundar , Dipanjan Majumdar , Chhote Lal Shah , Sunetra Sarkar

We present a thorough performance and energy consumption analysis of the LULESH proxy application in its OpenMP and MPI variants on two different clusters based on Intel Ice Lake (ICL) and Sapphire Rapids (SPR) CPUs. We first study the…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-13 Ayesha Afzal , Georg Hager , Gerhard Wellein

Efficient GPU programming is crucial for achieving high performance in deep learning (DL) applications. The performance of GPU programs depends on how data is parallelized across threads and arranged within memory subsystems. The mapping…

Machine Learning · Computer Science 2026-01-30 Xiao Zhang , Yaoyao Ding , Bolin Sun , Yang Hu , Tatiana Shpeisman , Gennady Pekhimenko

It is well known that there are two integral steps of streaming and collision in the lattice Boltzmann method (LBM). This concept has been changed by the author's recently proposed macroscopic lattice Boltzmann method (MacLAB) to solve the…

Computational Physics · Physics 2019-02-11 Jian Guo Zhou

GPUs are now used for a wide range of problems within HPC. However, making efficient use of the computational power available with multiple GPUs is challenging. The main challenges in achieving good performance are memory layout, affecting…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-20 Robert Clucas , Philip Blakely , Nikolaos Nikiforakis

One issue limiting the adaption of large-scale multi-region segmentation is the sometimes prohibitive memory requirements. This is especially troubling considering advances in massively parallel computing and commercial graphics processing…

Computer Vision and Pattern Recognition · Computer Science 2015-02-02 John S. H. Baxter , Martin Rajchl , Jing Yuan , Terry M. Peters

We assess the performance of the hybrid Open Accelerator (OpenACC) and Message Passing Interface (MPI) approach for multi-graphics processing units (GPUs) accelerated thermal lattice Boltzmann (LB) simulation. The OpenACC accelerates…

Fluid Dynamics · Physics 2022-11-21 Ao Xu , Bo-Tao Li
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