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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

We have extended the Falkon lightweight task execution framework to make loosely coupled programming on petascale systems a practical and useful programming model. This work studies and measures the performance factors involved in applying…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-17 Ioan Raicu , Zhao Zhang , Mike Wilde , Ian Foster , Pete Beckman , Kamil Iskra , Ben Clifford

The Python--elsA user interface of the elsA cfd (Computational Fluid Dynamics) software has been developed to allow users to specify simulations with confidence, through a global context of description objects grouped inside scripts. The…

Human-Computer Interaction · Computer Science 2016-11-21 Marc Lazareff

An application for high-performance computing (HPC) is shown that is relevant in the field of battery development. Simulations of electrolyte wetting and flow are conducted using pore network models (PNM) and the lattice Boltzmann method…

Computational Engineering, Finance, and Science · Computer Science 2024-01-22 Benjamin Kellers , Martin P. Lautenschlaeger , Julius Weinmiller , Lukas Krumbein , Simon Hein , Timo Danner , Arnulf Latz

For agentic systems to use external tools to solve complex, long-horizon tasks, we need a large set of diverse and controllable tool-use environments. We introduce SynthTools, a fully LLM-based pipeline spanning the entire lifecycle:…

Artificial Intelligence · Computer Science 2026-05-28 Tommaso Castellani , Naimeng Ye , Daksh Mittal , Thomson Yen , Emmanouil Koukoumidis , William Zeng , Hongseok Namkoong

In this work an optimized multicomponent lattice Boltzmann (LB) model is deployed to simulate axisymmetric turbulent jets of a fluid evolving in a quiescent, immiscible environment over a wide range of dynamic regimes. The implementation of…

Fluid Dynamics · Physics 2024-03-26 Andrea Montessori , Luiz A. Hegele , Marco Lauricella

We propose a simulation-based approach for performance modeling of parallel applications on high-performance computing platforms. Our approach enables full-system performance modeling: (1) the hardware platform is represented by an abstract…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-06 Gen Xu , Huda Ibeid , Xin Jiang , Vjekoslav Svilan , Zhaojuan Bian

Python is a popular programming language known for its flexibility, usability, readability, and focus on developer productivity. The quantum software community has adopted Python on a number of large-scale efforts due to these…

Quantum Physics · Physics 2021-05-12 Thien Nguyen , Alexander J. McCaskey

We introduce PyCFTBoot, a wrapper designed to reduce the barrier to entry in conformal bootstrap calculations that require semidefinite programming. Symengine and SDPB are used for the most intensive symbolic and numerical steps…

High Energy Physics - Theory · Physics 2024-02-20 Connor Behan

We present LBsoft, an open-source software developed mainly to simulate the hydro-dynamics of colloidal systems based on the concurrent coupling between lattice Boltzmann methods for the fluid and discrete particle dynamics for the…

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

Complex colloidal fluids, such as emulsions stabilized by complex shaped particles, play an important role in many industrial applications. However, understanding their physics requires a study at sufficiently large length scales while…

Soft Condensed Matter · Physics 2012-04-27 Florian Günther , Florian Janoschek , Stefan Frijters , Jens Harting

Predictive simulations and experimental design involving extreme aero-chemo-thermo-mechanical regimes require high-fidelity material representation across diverse physical states. However, data for metals, polymers, and propellants,…

High-performance computing systems are more and more often based on accelerators. Computing applications targeting those systems often follow a host-driven approach in which hosts offload almost all compute-intensive sections of the code…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-15 E. Calore , A. Gabbana , S. F. Schifano , R. Tripiccione

SaLinA is a simple library that makes implementing complex sequential learning models easy, including reinforcement learning algorithms. It is built as an extension of PyTorch: algorithms coded with \SALINA{} can be understood in few…

Writing efficient hybrid parallel code is tedious, error-prone, and requires good knowledge of both parallel programming and multithreading such as MPI and OpenMP, resp. Therefore, we present a framework which is based on a job model that…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-03 Ralf-Peter Mundani , Marko Ljucović , Ernst Rank

We investigate the performance of the HemeLB lattice-Boltzmann simulator for cerebrovascular blood flow, aimed at providing timely and clinically relevant assistance to neurosurgeons. HemeLB is optimised for sparse geometries, supports…

Despite decades of research, creating accurate, robust, and efficient lattice Boltzmann methods (LBM) on non-uniform grids with seamless GPU acceleration remains challenging. This work introduces a novel strategy to address this challenge…

Computational Physics · Physics 2026-01-06 Christophe Coreixas , Jonas Latt

This paper presents a SYCL implementation of Multi-Layer Perceptrons (MLPs), which targets and is optimized for the Intel Data Center GPU Max 1550. To increase the performance, our implementation minimizes the slow global memory accesses by…

This work elaborates on a High performance computing (HPC) architecture based on Simple Linux Utility for Resource Management (SLURM) [1] for deploying heterogeneous Large Language Models (LLMs) into a scalable inference engine. Dynamic…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-08-26 Anderson de Lima Luiz , Shubham Vijay Kurlekar , Munir Georges