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The magnitude of the real-time digital signal processing challenge attached to large radio astronomical antenna arrays motivates use of high performance computing (HPC) systems. The need for high power efficiency (performance per watt) at…
We describe a highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue (Anderson and Glotzer, arXiv:1308.5587). Our approach is inspired by a traditional CPU-based…
We develop a matrix-free Full Approximation Storage (FAS) multigrid solver based on staggered finite differences and implemented on GPU in MATLAB. To enhance performance, intermediate variables are reused, and an X-shape Multi-Color…
Challenging the Nvidia monopoly, dedicated AI-accelerator chips have begun emerging for tackling the computational challenge that the inference and, especially, the training of modern deep neural networks (DNNs) poses to modern computers.…
This paper investigates the multi-GPU performance of a 3D buoyancy driven cavity solver using MPI and OpenACC directives on different platforms. The paper shows that decomposing the total problem in different dimensions affects the strong…
Modern NVIDIA GPUs like the H100 (HBM2e) and H200 (HBM3e) share similar compute characteristics but differ significantly in memory interface technology and bandwidth. By isolating memory bandwidth as a key variable, the power distribution…
We discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GPU) in the NVIDIA CUDA language. We tested our code on a modern GPU, the NVIDIA GeForce 8800 GTX. Results for two MD algorithms suitable for…
Modern heterogeneous high-performance computing (HPC) systems powered by advanced graphics processing unit (GPU) architectures enable accelerating computing with unprecedented performance and scalability. Here, we present a GPU-accelerated…
Large model training beyond tens of thousands of GPUs is an uncharted territory. At such scales, disruptions to the training process are not a matter of if, but a matter of when -- a stochastic process degrading training productivity.…
We investigate and characterize the performance of an important class of operations on GPUs and Many Integrated Core (MIC) architectures. Our work is motivated by applications that analyze low-dimensional spatial datasets captured by high…
The new Cell processor represents a turning point for computing intensive applications. Here, I show that for molecular dynamics it is possible to reach an impressive sustained performance in excess of 30 Gflops with a peak of 45 Gflops for…
The rapid scaling of Large Language Models (LLMs) has pushed training workloads far beyond the limits of single-node analysis, demanding a deeper understanding of how these models behave across large-scale, multi-GPU systems. In this paper,…
The entropy-stable discontinuous Galerkin method for compressible Euler equations with buoyancy is implemented on graphics processing unit (GPU) hardware. We measure the performance of the solver on three-dimensional problems: the rising…
Computing on graphics processors is maybe one of the most important developments in computational science to happen in decades. Not since the arrival of the Beowulf cluster, which combined open source software with commodity hardware to…
In the context of the genome-wide association studies (GWAS), one has to solve long sequences of generalized least-squares problems; such a task has two limiting factors: execution time --often in the range of days or weeks-- and data…
Choosing an appropriate programming paradigm for high-performance computing on low-power devices can be useful to speed up calculations. Many Android devices have an integrated GPU and - although not officially supported - the OpenCL…
Portability is critical to ensuring high productivity in developing and maintaining scientific software as the diversity in on-node hardware architectures increases. While several programming models provide portability for diverse GPU…
Subgraph matching has garnered increasing attention for its diverse real-world applications. Given the dynamic nature of real-world graphs, addressing evolving scenarios without incurring prohibitive overheads has been a focus of research.…
We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…
Connected components and spanning forest are fundamental graph algorithms due to their use in many important applications, such as graph clustering and image segmentation. GPUs are an ideal platform for graph algorithms due to their high…