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GPU-Accelerated Computing with Python 3 and CUDA

GPU-Accelerated Computing with Python 3 and CUDA

By : Niels Cautaerts, Hossein Ghorbanfekr
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GPU-Accelerated Computing with Python 3 and CUDA

GPU-Accelerated Computing with Python 3 and CUDA

By: Niels Cautaerts, Hossein Ghorbanfekr

Overview of this book

Writing high-performance Python code doesn’t have to mean switching to C++. This book shows you how to accelerate Python applications using NVIDIA’s CUDA platform and a modern ecosystem of Python tools and libraries. Aimed at researchers, engineers, and data scientists, it offers a practical yet deep understanding of GPU programming and how to fully exploit modern GPU hardware. You’ll begin with the fundamentals of CUDA programming in Python using Numba-CUDA, learning how GPUs work and how to write, execute, and debug custom GPU kernels. Building on this foundation, the book explores memory access optimization, asynchronous execution with CUDA streams, and multi-GPU scaling using Dask-CUDA. Performance analysis and tuning are emphasized throughout, using NVIDIA Nsight profilers. You’ll also learn to use high-level GPU libraries such as JAX, CuPy, and RAPIDS to accelerate numerical Python workflows with minimal code changes. These techniques are applied to real-world examples, including PDE solvers, image processing, physical simulations, and transformer models. Written by experienced GPU practitioners, this hands-on guide emphasizes reproducible workflows using Python 3.10+, CUDA 12.3+, and tools like the Pixi package manager. By the end, you’ll have future-ready skills for building scalable GPU applications in Python.
Table of Contents (24 chapters)
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1
Part 1: Fundamentals of GPU programming with CUDA in Python 3
6
Part 2: Performance Optimization and Advanced CUDA Topics
10
Part 3: Using High-Level Python Libraries for GPU Computation
14
Part 4: Real-World Example Applications
19
Part 5: Beyond This Book
23
Index

Introduction to multi-GPU computing

A single GPU often becomes insufficient as computational problems grow in scale, for example, when the model is too large to fit into the memory of one GPU, or when fitting model parameters is so computationally demanding that distributing the load becomes necessary to achieve reasonable performance or time. In such cases, multi-GPU computing becomes unavoidable as it allows distributing the workload across several GPUs, enabling more data to be processed or simulations that would otherwise be impractical to run to be accelerated.

In the following two sections, we will briefly discuss the architecture of multi-GPU systems and elaborate on popular parallelism strategies for utilizing multiple GPUs.

Multi-GPU systems architecture

A system with multiple GPUs is designed to utilize the combined computational power of several GPUs. The way these GPUs are arranged and connected within the system affects how efficiently they can share data and coordinate work...

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GPU-Accelerated Computing with Python 3 and CUDA
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