Category: High Performance Computing

Proteins hold the secrets of life, if only we can study them in sufficient detail. Learn how a team at Max Planck leveraged AWS Spot Instances with Cyclone to run massive GROMACS simulations and push the boundaries of biophysics.

Choosing the right AWS instance type can be tricky. We’ll show you how to inspect & tune app performance across architectures using MAQAO framework & a molecular dynamics app as an example. Read our new blog for optimization tips!

Interested in boosting productivity for HPC users and admins? Read this post to learn how HPC Ops (infrastructure as code + CI/CD) delivers faster, more consistent infrastructure deployments and pain free experiences for your users.

Transforming computer-aided drug design: see how SandboxAQ leverages AWS and generative AI to explore chemical space, more intelligently generating drug candidates.

Learn how to deploy AI models at scale with @AWS using NVIDIA’s NIM and Amazon EKS! This step-by-step guide shows you how to create a GPU cluster for inference. Don’t miss part 1 of this 2-part blog series!

Learn how to configure email and SMS alerts for job events to stay on top of your HPC workloads with AWS ParallelCluster using Slurm.

AWS Batch multi-node parallel jobs can now run on Amazon EKS to provide gang scheduling of pods across nodes for large scale distributed computing like ML model training. More details here.

Financial services firms: we stress-tested YellowDog’s HPC environment to see if it could handle a 10m task batch at 3,000 tasks per second. Check out the results.

Need to cut your carbon footprint without sacrificing productivity? Migrating HPC workloads to the cloud allowed Baker Hughes to reduce emissions by 99%! Get tips for optimizing compute, storage, networking so you can do better.

Big changes are underway in mining – see how the Boliden Group simulates fleets of autonomous trucks using AWS Batch – for safety and efficiency.