AWS HPC Blog
Category: Compute
Best practices for running molecular dynamics simulations on AWS Graviton3E
If you run molecular dynamics simulations, you need to read this. We walk through running benchmarks of popular apps like GROMACS and LAMMPS on new Hpc7g instances and Graviton3E processors. The results – up to 35% better vector performance versus Graviton3! Learn how to optimize your own workflows.
Accelerate drug discovery with NVIDIA BioNeMo Framework on Amazon EKS
This post was contributed by Doruk Ozturk and Ankur Srivastava at AWS, and Neel Patel at NVIDIA. Introduction Drug discovery is a long and expensive process. Pharmaceutical companies must sift through thousands of compound possibilities to find potential new drugs to treat diseases. This process takes multiple years and costs billions of dollars, with the […]
Data, emerging technologies, and the circular economy: how Accenture and AWS are unlocking environmental and business impact
Realizing the $4.5 trillion circular economy opportunity requires accurate data, scalable HPC and agile tools. Read this post to discover how AWS and Accenture partner for real progress.
Optimizing MPI application performance on hpc7a by effectively using both EFA devices
Get the inside scoop on optimizing your MPI apps and configuration for AWS’s powerful new Hpc7a instances. Dual rail gives these instances huge networking potential @ 300 Gb/s – if properly used. This post provides benchmarks, sample configs, and real speedup numbers to help you maximize network performance. Whether you run weather simulations, CFD, or other HPC workloads, you’ll find practical tips for your codes.
Run simulations using multiple containers in a single AWS Batch job
Run simulations using multiple containers in a single AWS Batch job Matthew Hansen, Principal Solutions Architect, AWS Advanced Computing & Simulation Recently, AWS Batch launched a new feature that makes it possible to run multiple containers within a single job. This enables new scenarios customers have asked about like simulations for autonomous vehicles, multi-robot collaboration, […]
Renewable energy transition: examining the impacts of wind energy through simulation
As we move towards a greener future, understanding wind energy’s climate impacts is key. Check out this blog post by our friends at Whiffle, to learn how large-scale simulations reveal wind power’s effect on our atmosphere.
Choosing the right compute orchestration tool for your research workload
Running big research jobs on AWS but not sure where to start? We break down options like Batch, ECS, EKS, and others to pick the right tool for your needs. Lots of examples for genomics, ML, engineering, and more!
Protein language model training with NVIDIA BioNeMo framework on AWS ParallelCluster
In this new post, we discuss pre-training ESM-1nv for protein language modeling with NVIDIA BioNeMo on AWS. Learn how you can efficiently deploy and customize generative models like ESM-1nv on GPU clusters with ParallelCluster. Whether you’re studying protein sequences, predicting properties, or discovering new therapeutics, this post has tips to accelerate your protein AI workloads on the cloud.
Introducing new alerts to help users detect and react to blocked job queues in AWS Batch
Heads up AWS Batch users! Learn how to get notifications when your job queue gets blocked so you can quickly troubleshoot and keep your workflows moving. Details in our blog.
How agent-based models powered by HPC are enabling large scale economic simulations
See how agent-based models, driven to scale by HPC in the cloud, are shedding new light on macroprudential policies with this post from Oxford’s Institute for New Economic Thinking.