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AMD lab notes

Computational and Data science have emerged as powerful modes of scientific inquiry and engineering design. Often referred to as the “third” and “fourth” pillars of the scientific method, they are interdisciplinary fields where computer models and simulations of physical, biological, or data-driven processes are used to probe, predict, and analyze complex systems of interest. All of this necessitates the use of more computational power and resources to keep up with increasing scientific and industrial demands. In order to fully utilize emerging hardware designed to tackle these challenges, the development of robust software for high-performance computing (HPC) and Machine Learning (ML) applications is now more crucial than ever. This challenge is made even greater as hardware trends continue to achieve massive parallelism through GPU acceleration, which requires the adoption of sophisticated heterogenous programming environments and carefully tuned application code.

In this “AMD lab notes” blog series, we share the lessons learned from tuning a wide range of scientific applications, libraries, and frameworks for AMD GPUs. Our goal with these lab notes is to provide readers with the following:

  • AMD GPU implementations of computational science algorithms such as PDE discretizations, linear algebra, solvers, and more

  • AMD GPU programming tutorials showcasing optimizations

  • Instructions for leveraging ML frameworks, data science tools, post-processing, and visualization on AMD GPUs

  • Best practices for porting and optimizing HPC and ML applications targeting AMD GPUs

  • Guidance on using libraries and tools from the ROCm™ software stack

Most of our lab notes contain accompanying code examples that readers are encouraged to experiment with. The intention is to provide content that targets domain experts and computational/data scientists alike. While our optimization strategies may be specific to a particular application, we believe that the content can serve as loose guidelines and an effective starting point for getting the best experience out of AMD hardware. We primarily focus on AMD Instinct™ GPUs, but we expect users of other AMD graphics cards to also benefit from the strategies outlined in these notes.

The repository containing all lab notes and associated code examples can be found at https://github.com/AMD/amd-lab-notes. We hope that our pedagogical examples will inspire readers to accelerate their application code even further.

If you have any questions or comments, please reach out to us on GitHub Discussions

Picture of Justin Chang
Justin Chang

Justin Chang is a Senior Member of Technical Staff (SMTS) Software System Design Engineer in the Data Center GPU Software Solutions group and manages the AMD lab notes blog series. He received his PhD degree in Civil Engineering from the University of Houston, where he published several journal papers on structure-preserving high performance computational methods for transport in porous media. As a postdoc, he worked for both Rice University and the National Renewable Energy Laboratory to accelerate finite element simulation time of subsurface flow through dual porosity porous medium and lithium-ion batteries used in electric vehicles. He also worked for the Oil and Gas industry and focused on GPU porting and optimization of key FWI, RTM, and other seismic imaging workloads.

Picture of Thomas H. Gibson
Thomas H. Gibson

Thomas Gibson is a Member of Technical Staff (MTS) Software System Design Engineer in the Data Center GPU Software Solutions group. He obtained his PhD in computational mathematics from Imperial College London, where he specialized in mixed finite element discretizations for numerical weather modeling codes. After completing his PhD in 2020, Thomas continued to work on structure-preserving ("compatible") finite element methods and multigrid preconditioners for weather applications. Additionally, he began shifting his research towards accelerating fluid dynamics codes using GPUs and developed high-fidelity/low-dissipation discontinuous Galerkin methods for turbulence/combustion models on GPUs. His current research interests include optimizing C/C++/Fortran GPU applications, iterative solvers and preconditioning, finite element discretizations, and numerical weather prediction applications.

Picture of Nicholas Malaya
Nicholas Malaya

Nicholas Malaya is an AMD Fellow with an emphasis in software development, algorithms, and high performance computing. He is AMD's technical lead for exascale application performance, and is focused on ensuring workloads run efficiently on the world's largest supercomputers. Nick's research interests include HPC, computational fluid dynamics, Bayesian inference, and ML/AI. He received his PhD from the University of Texas. Before that, he double majored in Physics and Mathematics at Georgetown University where he received the Treado medal. In his copious spare time he enjoys motorcycles, long distance running, wine, and spending time with his wife and children.

Picture of Gina Sitaraman
Gina Sitaraman

Gina Sitaraman is a Senior Member of Technical Staff (SMTS) Software System Design Engineer in the Data Center GPU Software Solutions group. She obtained her PhD in Computer Science from the University of Texas at Dallas. She has over a decade of experience in the seismic data processing field developing and optimizing pre-processing, migration and post processing applications using hybrid MPI + OpenMP on CPU clusters and using CUDA or OpenCL on GPUs. She spends her time at AMD solving optimization challenges in scientific applications running on large-scale HPC clusters.

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