Posts by Alan Gray
Simulation / Modeling / Design
Dec 12, 2025
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
Feb 20, 2025
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
Aug 07, 2024
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
Simulation / Modeling / Design
Apr 14, 2023
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
Feb 09, 2023
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
Simulation / Modeling / Design
Oct 08, 2021
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