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In this work, we examine the performance, energy efficiency and usability when using Python for developing HPC codes running on the GPU. We investigate the portability of performance and energy efficiency between CUDA and OpenCL; between…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-03-11 Håvard H. Holm , André R. Brodtkorb , Martin L. Sætra

Simulations based on particle methods, such as Smoothed Particle Hydrodynamics (SPH), are known to be computationally demanding. While such methods have for long been executed in parallel on multi-core CPUs, in recent years the increasing…

Computational Engineering, Finance, and Science · Computer Science 2026-03-18 Xiangyu Hu , Alberto Guarnieri

The Portable Extensible Toolkit for Scientific computation (PETSc) library delivers scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization.The PETSc design for performance…

To address the dual challenges of performance portability across heterogeneous hardware and the high usability barriers of conventional computational fluid dynamics (CFD) software, this paper introduces FEALPy.CFD, a high performance,…

Fluid Dynamics · Physics 2026-05-26 Wang Pengxiang , Huang Xianbo , Peng Li , Wei Huayi

Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…

Computational Physics · Physics 2019-09-13 Yidong Xia , Ansel Blumers , Zhen Li , Lixiang Luo , Yu-Hang Tang , Joshua Kane , Hai Huang , Matthew Andrew , Milind Deo , Jan Goral

The open-source PyNX toolkit [Favre-Nicolin et al (2011) arXiv:1010.2641, Mandula et al (2016)] has been extended to provide tools for coherent X-ray imaging data analysis and simulation. All calculations can be executed on graphical…

HYPERTILING is a high-performance Python library for the generation and visualization of regular hyperbolic lattices embedded in the Poincar\'e disk model. Using highly optimized, efficient algorithms, hyperbolic tilings with millions of…

Computational Physics · Physics 2024-06-27 Manuel Schrauth , Yanick Thurn , Florian Goth , Jefferson S. E. Portela , Dietmar Herdt , Felix Dusel

With the appearance of the heterogeneous platform OpenPower,many-core accelerator devices have been coupled with Power host processors for the first time. Towards utilizing their full potential, it is worth investigating performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-07 Erik Zenker , René Widera , Axel Huebl , Guido Juckeland , Andreas Knüpfer , Wolfgang E. Nagel , Michael Bussmann

The evolution of the computing landscape has resulted in the proliferation of diverse hardware architectures, with different flavors of GPUs and other compute accelerators becoming more widely available. To facilitate the efficient use of…

High Energy Physics - Experiment · Physics 2023-04-05 Meifeng Lin , Zhihua Dong , Tianle Wang , Mohammad Atif , Meghna Battacharya , Kyle Knoepfel , Charles Leggett , Brett Viren , Haiwang Yu

The high-performance computing (HPC) landscape is undergoing rapid transformation, with an increasing emphasis on energy-efficient and heterogeneous computing environments. This comprehensive study extends our previous research on SYCL's…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-15 Manuel Costanzo , Enzo Rucci , Carlos García-Sánchez , Marcelo Naiouf , Manuel Prieto-Matías

Despite decades of advancements, the simulation of fluids remains one of the most challenging areas of in scientific computing. Supported by the necessity of gradient information in deep learning, differentiable simulators have emerged as…

Machine Learning · Computer Science 2025-10-21 Aleksandra Franz , Hao Wei , Luca Guastoni , Nils Thuerey

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

High-performance computing has recently seen a surge of interest in heterogeneous systems, with an emphasis on modern Graphics Processing Units (GPUs). These devices offer tremendous potential for performance and efficiency in important…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-07-17 Andreas Klöckner , Nicolas Pinto , Yunsup Lee , Bryan Catanzaro , Paul Ivanov , Ahmed Fasih

As modern scientific simulations grow ever more in size and complexity, even their analysis and post-processing becomes increasingly demanding, calling for the use of HPC resources and methods. yt is a parallel, open source post-processing…

Instrumentation and Methods for Astrophysics · Physics 2019-10-18 Salvatore Cielo , Luigi Iapichino , Fabio Baruffa

When considering different hardware platforms, not just the time-to-solution can be of importance but also the energy necessary to reach it. This is not only the case with battery powered and mobile devices but also with high-performance…

Performance · Computer Science 2020-06-30 Philip Heinisch , Katharina Ostaszewski , Hendrik Ranocha

All major weather and climate applications are currently developed using languages such as Fortran or C++. This is typical in the domain of high performance computing (HPC), where efficient execution is an important concern. Unfortunately,…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-15 Enrique G. Paredes , Linus Groner , Stefano Ubbiali , Hannes Vogt , Alberto Madonna , Kean Mariotti , Felipe Cruz , Lucas Benedicic , Mauro Bianco , Joost VandeVondele , Thomas C. Schulthess

Differentiable simulation of soft bodies is a foundation for system identification, trajectory optimization, and Real2Sim transfer. Yet, existing methods such as the differentiable Projective Dynamics (DiffPD) struggle when faced with…

FluidDyn is a project to foster open-science and open-source in the fluid dynamics community. It is thought of as a research project to channel open-source dynamics, methods and tools to do science. We propose a set of Python packages…

Other Computer Science · Computer Science 2019-04-10 Pierre Augier , Ashwin Vishnu Mohanan , Cyrille Bonamy

An open-source, Python-based Temporal Analysis of Products (TAP) reactor simulation and processing program is introduced. TAPsolver utilizes algorithmic differentiation for the calculation of highly accurate derivatives, which are used to…

Computational Engineering, Finance, and Science · Computer Science 2020-09-01 Adam Yonge , M. Ross Kunz , Rakesh Batchu , Zongtang Fang , Tobin Issac , Rebecca Fushimi , Andrew J. Medford

Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…

Instrumentation and Methods for Astrophysics · Physics 2015-06-15 Roberto Capuzzo-Dolcetta , Mario Spera