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Since its inception in 1995, LAMMPS has grown to be a world-class molecular dynamics code, with thousands of users, over one million lines of code, and multi-scale simulation capabilities. We discuss how LAMMPS has adapted to the modern…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-25 Anders Johansson , Evan Weinberg , Christian R. Trott , Megan J. McCarthy , Stan G. Moore

The rapidly evolving landscape of AI and machine learning workloads has widened the gap between high-level domain operations and efficient hardware utilization. Achieving near-peak performance still demands deep hardware expertise-experts…

Machine Learning · Computer Science 2025-11-19 Arun Thangamani , Md Asghar Ahmad Shahid , Adam Siemieniuk , Rolf Morel , Renato Golin , Alexander Heinecke

This work presents MLIR, a novel approach to building reusable and extensible compiler infrastructure. MLIR aims to address software fragmentation, improve compilation for heterogeneous hardware, significantly reduce the cost of building…

As hardware architectures are evolving in the push towards exascale, developing Computational Science and Engineering (CSE) applications depend on performance portable approaches for sustainable software development. This paper describes…

Optimal use of computing resources requires extensive coding, tuning and benchmarking. To boost developer productivity in these time consuming tasks, we introduce the Experimental Linear Algebra Performance Studies framework (ELAPS), a…

Performance · Computer Science 2015-05-01 Elmar Peise , Paolo Bientinesi

Similar to other programming models, compilers for SYCL, the open programming model for heterogeneous computing based on C++, would benefit from access to higher-level intermediate representations. The loss of high-level structure and…

Programming Languages · Computer Science 2023-12-21 Ettore Tiotto , Víctor Pérez , Whitney Tsang , Lukas Sommer , Julian Oppermann , Victor Lomüller , Mehdi Goli , James Brodman

Current code generation benchmarks focus primarily on functional correctness while overlooking two critical aspects of real-world programming: algorithmic efficiency and code quality. We introduce COMPASS (COdility's Multi-dimensional…

Software Engineering · Computer Science 2025-08-20 James Meaden , Michał Jarosz , Piotr Jodłowski , Grigori Melnik

The resurgence of machine learning has increased the demand for high-performance basic linear algebra subroutines (BLAS), which have long depended on libraries to achieve peak performance on commodity hardware. High-performance BLAS…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-30 Braedy Kuzma , Ivan Korostelev , João P. L. de Carvalho , José E. Moreira , Christopher Barton , Guido Araujo , José Nelson Amaral

Large language models (LLMs) have the potential to revolutionize how we design and implement compilers and code translation tools. However, existing LLMs struggle to handle long and complex programs. We introduce LEGO-Compiler, a novel…

Programming Languages · Computer Science 2025-05-28 Shuoming Zhang , Jiacheng Zhao , Chunwei Xia , Zheng Wang , Yunji Chen , Xiaobing Feng , Huimin Cui

Writing high-performance code requires significant expertise in the programming language, compiler optimizations, and hardware knowledge. This often leads to poor productivity and portability and is inconvenient for a non-programmer…

Performance · Computer Science 2020-09-01 Ajitesh Srivastava , Naifeng Zhang , Rajgopal Kannan , Viktor K. Prasanna

Large Language Models (LLMs) increasingly serve as consumers of API specifications, whether for code generation, autonomous agent interaction, or API-assisted reasoning. The de facto standard for API description, OpenAPI, was designed for…

Software Engineering · Computer Science 2026-02-24 Daniel Garcia

Programmability, performance portability, and resource efficiency have emerged as critical challenges in harnessing complex and diverse architectures today to obtain high performance and energy efficiency. While there is abundant research,…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-11-14 Nandita Vijaykumar

Traditional compilers, designed for optimizing low-level code, fall short when dealing with modern, computation-heavy applications like image processing, machine learning, or numerical simulations. Optimizations should understand the…

Programming Languages · Computer Science 2024-11-21 Roland Leißa , Marcel Ulrich , Joachim Meyer , Sebastian Hack

Next generation High-Energy Physics (HEP) experiments are presented with significant computational challenges, both in terms of data volume and processing power. Using compute accelerators, such as GPUs, is one of the promising ways to…

Multi-GPU programming traditionally requires developers to navigate complex trade-offs between performance and programmability. High-performance implementations typically rely on low-level HIP/CUDA communication libraries that demand…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-18 Muhammad Awad , Muhammad Osama , Brandon Potter

The exascale race is at an end with the announcement of the Aurora and Frontier machines. This next generation of supercomputers utilize diverse hardware architectures to achieve their compute performance, providing an added onus on the…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-26 Rahulkumar Gayatri , Stan Moore , Evan Weinberg , Nicholas Lubbers , Sarah Anderson , Jack Deslippe , Danny Perez , Aidan P. Thompson

While model serving has unlocked unprecedented capabilities, the high cost of serving large-scale models continues to be a significant barrier to widespread accessibility and rapid innovation. Compiler optimizations have long driven…

Machine Learning · Computer Science 2026-02-05 Annabelle Sujun Tang , Christopher Priebe , Rohan Mahapatra , Lianhui Qin , Hadi Esmaeilzadeh

The high-performance computing (HPC) community has recently seen a substantial diversification of hardware platforms and their associated programming models. From traditional multicore processors to highly specialized accelerators, vendors…

Plasma Physics · Physics 2024-11-11 Josef Ruzicka , Christian Asch , Esteban Meneses , Markus Rampp , Erwin Laure

General-purpose compilers abstract away parallelism, locality, and synchronization, limiting their effectiveness on modern spatial architectures. As modern computing architectures increasingly rely on fine-grained control over data…

This paper introduces Tiramisu, a polyhedral framework designed to generate high performance code for multiple platforms including multicores, GPUs, and distributed machines. Tiramisu introduces a scheduling language with novel extensions…

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