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

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
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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
Simulation / Modeling / Design

Creating Faster Molecular Dynamics Simulations with GROMACS 2020

GROMACS—one of the most widely used HPC applications— has received a major upgrade with the release of GROMACS 2020. The new version includes exciting new... 13 MIN READ
Simulation / Modeling / Design

Getting Started with CUDA Graphs

The performance of GPU architectures continue to increase with every new generation. Modern GPUs are so fast that, in many cases of interest, the time taken by... 10 MIN READ