AWS HPC Blog
Author: Austin Cherian
Austin is a Senior Product Manager-Technical for High Performance Computing at AWS. Previously, he was a Snr Developer Advocate for HPC & Batch, based in Singapore. He's responsible for ensuring AWS ParallelCluster grows to ensure a smooth journey for customers deploying their HPC workloads on AWS. Prior to AWS, Austin was the Head of Intel’s HPC & AI business for India where he led the team that helped customers with a path to High Performance Computing on Intel architectures.
Running GROMACS on GPU instances: single-node price-performance
This three-part series of posts cover the price performance characteristics of running GROMACS on Amazon Elastic Compute Cloud (Amazon EC2) GPU instances. Part 1 covered some background no GROMACS and how it utilizes GPUs for acceleration. This post (Part 2) covers the price performance of GROMACS on a particular GPU instance family running on a […]
Running GROMACS on GPU instances
Comparing the performance of real applications across different Amazon Elastic Compute Cloud (Amazon EC2) instance types is the best way we’ve found for finding optimal configurations for HPC applications here at AWS. Previously, we wrote about price-performance optimizations for GROMACS that showed how the GROMACS molecular dynamics simulation runs on single instances, and how it […]
GROMACS price-performance optimizations on AWS
Molecular dynamics (MD) is a simulation method for analyzing the movement and tracing trajectories of atoms and molecules where the dynamics of a system evolve over time. MD simulations are used across various domains such as material sciences, biochemistry, biophysics and are typically used in two broad ways to study a system. The importance of […]