Posts by Alan Gray
Technical Walkthrough
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
Technical Walkthrough
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
Technical Walkthrough
Feb 25, 2020
Creating Faster Molecular Dynamics Simulations with GROMACS 2020
GROMACS logo GROMACS—one of the most widely used HPC applications— has received a major upgrade with the release of GROMACS 2020. The new version includes...
13 MIN READ
Technical Walkthrough
Sep 05, 2019
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