AWS HPC Blog
Tag: simulations
Building an AI simulation assistant with agentic workflows
Simulations provide critical insights but running them takes specialized people, which can slow everyone down. We show how a Simulation Assistant can use LLMs and agents to start these workflows via chat so you can get results sooner.
Using machine learning to drive faster automotive design cycles
Aerospace and automotive companies are speeding up their product design using AI. In this post we’ll discuss how they’re using machine learning to shift design cycles from hours to seconds using surrogate models.
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 […]
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.
Build and deploy a 1 TB/s file system in under an hour
Want to set up a high-speed shared file system for your #HPC or #AI workloads in under an hour? Learn how with this new blog post.
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, […]
Using a digital twin for sensitivity analysis to determine sensor placement in a roll-to-roll manufacturing web-line
What’s the best way to select sensors to capture key data for your digital twin without overspending? Check out our latest blog post on using ML and sensitivity studies to optimize sensor selection.
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.