Alan Gray

Alan Gray is a Principal Developer Technology Engineer at NVIDIA where he specializes in application optimization, particularly on large-scale GPU-accelerated architectures. Previously, he worked at Edinburgh Parallel Computing Centre (EPCC) at The University of Edinburgh, where he was involved in a wide variety of projects covering many scientific, engineering, and industrial areas, with a particular interest in multi-GPU programming. His career began in the area of particle physics, using Lattice QCD techniques to simulate fundamental particle states and interactions. He received a Ph.D. from the University of Glasgow for which his thesis was awarded the UK-wide Ogden Prize in particle physics phenomenology, and he also spent two years furthering this research under a fellowship at The Ohio State University before moving to EPCC.
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Posts by Alan Gray

Simulation / Modeling / Design

How to Scale Fast Fourier Transforms to Exascale on Modern NVIDIA GPU Architectures

Fast Fourier Transforms (FFTs) are widely used across scientific computing, from molecular dynamics and signal processing to computational fluid dynamics (CFD),... 8 MIN READ
Data Center / Cloud

Spotlight: University of Tokyo Uses NVIDIA Grace Hopper for Groundbreaking Energy-Efficient Seismic Research

Supercomputers are the engines of groundbreaking discoveries. From predicting extreme weather to advancing disease research and designing safer, more efficient... 6 MIN READ
Agentic AI / Generative AI

Optimizing llama.cpp AI Inference with CUDA Graphs

The open-source llama.cpp code base was originally released in 2023 as a lightweight but efficient framework for performing inference on Meta Llama models.... 8 MIN READ
Biomolecule
Simulation / Modeling / Design

A Guide to CUDA Graphs in GROMACS 2023

GPUs continue to get faster with each new generation, and it is often the case that each activity on the GPU (such as a kernel or memory copy) completes very... 13 MIN READ
Simulation / Modeling / Design

Massively Improved Multi-node NVIDIA GPU Scalability with GROMACS

GROMACS, a scientific software package widely used for simulating biomolecular systems, plays a crucial role in comprehending important biological processes... 8 MIN READ
Logo for GROMACS
Simulation / Modeling / Design

Maximizing GROMACS Throughput with Multiple Simulations per GPU Using MPS and MIG

GROMACS, a simulation package for biomolecular systems, is one of the most highly used scientific software applications worldwide, and a key tool in... 19 MIN READ