Related papers: Efficient Coupled-Cluster Python Frameworks for Ne…

We scrutinize how to accelerate the bottleneck operations of Pythonic coupled cluster implementations performed on a \texttt{NVIDIA} Tesla V100S PCIe 32GB (rev 1a) Graphics Processing Unit (GPU). The \texttt{NVIDIA} Compute Unified Device…

To execute scientific computing programs such as deep learning at high speed, GPU acceleration is a powerful option. With the recent advancements in web technologies, interfaces like WebGL and WebGPU, which utilize GPUs on the client side…

Using GPU-based HPC platforms efficiently for coupled cluster computations is a challenge due to heterogeneous hardware structures. The constant need to adapt software to these structures and the required man-hours makes a systematization…

The main objective of this work consists in analyzing sub-structuring method for the parallel solution of sparse linear systems with matrices arising from the discretization of partial differential equations such as finite element, finite…

Experience shows that on today's high performance systems the utilization of different acceleration cards in conjunction with a high utilization of all other parts of the system is difficult. Future architectures, like exascale clusters,…

Python is the de-facto language for software development in artificial intelligence (AI). Commonly used libraries, such as PyTorch and TensorFlow, rely on parallelization built into their BLAS backends to achieve speedup on CPUs. However,…

We show that numerical computations based on tensor renormalization group (TRG) methods can be significantly accelerated with PyTorch on graphics processing units (GPUs) by leveraging NVIDIA's Compute Unified Device Architecture (CUDA). We…

Gaussian processes (GPs) are a widely used regression tool, but the cubic complexity of exact solvers limits their scalability. To address this challenge, we extend the GPRat library by incorporating a fully GPU-resident GP prediction…

Convex clustering is a popular clustering model without requiring the number of clusters as prior knowledge. It can generate a clustering path by continuously solving the model with a sequence of regularization parameter values. This paper…

A high fidelity flow simulation for complex geometries for high Reynolds number ($Re$) flow is still very challenging, which requires more powerful computational capability of HPC system. However, the development of HPC with traditional CPU…

This study presents a comprehensive multi-level analysis of the NVIDIA Hopper GPU architecture, focusing on its performance characteristics and novel features. We benchmark Hopper's memory subsystem, highlighting improvements in the L2…

We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…

The rising demand for high-performance computing (HPC) has made full-chip dynamic thermal simulation in many-core GPUs critical for optimizing performance and extending device lifespans. Proper orthogonal decomposition (POD) with Galerkin…

Recently, successes have been achieved for the high-order gas-kinetic schemes (HGKS) on unstructured meshes for compressible flows. In this paper, to accelerate the computation, HGKS is implemented with the graphical processing unit (GPU)…

Implicit methods and GPU parallelization are two distinct yet powerful strategies for accelerating high-order CFD algorithms. However, few studies have successfully integrated both approaches within high-speed flow solvers. The core…

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…

We introduce the CUDA Tensor Transpose (cuTT) library that implements high-performance tensor transposes for NVIDIA GPUs with Kepler and above architectures. cuTT achieves high performance by (a) utilizing two GPU-optimized transpose…

This work presents a new clustering algorithm, the GPIC, a Graphics Processing Unit (GPU) accelerated algorithm for Power Iteration Clustering (PIC). Our algorithm is based on the original PIC proposal, adapted to take advantage of the GPU…

The AI hardware boom has led modern data centers to adopt HPC-style architectures centered on distributed, GPU-centric computation. Large GPU clusters interconnected by fast RDMA networks and backed by high-bandwidth NVMe storage enable…

With the increasing adoption of graph neural networks (GNNs) in the machine learning community, GPUs have become an essential tool to accelerate GNN training. However, training GNNs on very large graphs that do not fit in GPU memory is…