Accelerating NAMD on Azure HB-series VMs

Authors: Amirreza Rastegari, Nihit Pokhrel, Nathan Baker, Jon Shelley Introduction: Nanoscale Molecular Dynamics (NAMD) is a molecular dynamics program designed for high-performance simulation of large biomolecular systems. The program scales well over many processors and nodes, making it an excellent fit for Azure High Performance Computing (HPC) infrastructure. Azure…

22/03/2023Azure High Performance Computing (HPC) Blog

Share:

You may be interested in

Introducing the new Azure AI infrastructure VM series ND MI300X v5
Azure High Performance Computing (HPC) Blog,
Industry-leading high-bandwidth memory (HBM) capacity and bandwidth targeting generative inferencing and AI training Artificial intelligence is transforming every industry and creating new opportunities for innovation and growth. On top…
21/05/2024
Ramp up with me… on HPC: Understanding Virtual Machines, CPUs, and GPUs
Azure High Performance Computing (HPC) Blog,
There are a lot of different products you need to successfully complete a high-performance computing (HPC) workload. You’ll hear several terms regularly, like virtual machines, CPUs, GPUs, compute power, and…
31/08/2023
Public Preview: Hibernation Support extended to GPU and more General Purpose VM sizes.
Azure High Performance Computing (HPC) Blog,
Azure is excited to announce that hibernation support has been extended to the following General Purpose VM sizes up to 64GB RAM-: Esv5-series Edsv5-series Easv5-series Eadsv5-series In addition, as previously announced in…
29/04/2024
Accelerating OpenFOAM Integration with Azure CycleCloud
Azure High Performance Computing (HPC) Blog,
OpenFOAM, which stands for Open Field Operation and Manipulation, is a free, open-source software framework primarily used for computational fluid dynamics (CFD) simulations. It provides a wide range of numerical…
13/02/2024
New Azure NC H100 v5 VMs Optimized for Generative AI and HPC workloads is now Generally Available
Azure High Performance Computing (HPC) Blog,
Azure NC H100 v5 virtual machines (VMs) are an excellent platform for executing diverse AI and High-Performance Computing (HPC) workloads. These workloads demand substantial computational power, large capacity of high-performance…
18/03/2024
Training large AI models on Azure using CycleCloud + Slurm
Azure High Performance Computing (HPC) Blog,
Training large AI models on Azure using CycleCloud + Slurm In the past year generative AI models have leapt into common discourse through the popularity of text-to-image models and…
28/03/2023
Annual Roundup of AI Infrastructure Breakthroughs for 2023
Azure High Performance Computing (HPC) Blog,
What a difference a year makes! Last year I said 2022 was a banner year for AI developments… if 2022 was a banner year then how should we describe 2023?…
27/03/2024
Profiling AI/ML models on single/multi-GPUs using AzureHPC images
Azure High Performance Computing (HPC) Blog,
Profiling AI/ML models is a pivotal step in harnessing the full potential of computational resources, especially when deploying on high-performance platforms like single/multi-GPUs. This process delves deep into the model's…
05/10/2023
Introducing Azure CycleCloud Slurm Workspace (Preview)
Azure High Performance Computing (HPC) Blog,
A new way to create and manage CycleCloud Slurm clusters on Azure Slurm is one of the most popular and widely used open-source workload managers for AI/HPC and cloud computing.…
04/06/2024
Scaling Up in the Cloud: The WEKA Data Platform and Azure HPC Windows Grid Integration
Azure High Performance Computing (HPC) Blog,
Co-Written with Erik Garcia, WEKA Director of Cloud Sales, Brian Markenson, WEKA System Engineer, & Adam Fowler, WEKA System Engineer High Performance Compute (HPC) grids in the Financial Services Industry are unique…
28/02/2024
NGads V620 series: Optimized for gaming scenarios – General availability and benchmarks
Azure High Performance Computing (HPC) Blog,
The Azure family of visualization GPU VMs has gained a new member. Many customers have used the VMs in our existing portfolio for a variety of visualization workloads as well…
08/11/2023
Azure Managed Lustre: not your grandparents’ parallel file system
Azure High Performance Computing (HPC) Blog,
Lustre has long been the gold standard for extreme performance and scalability amongst parallel file systems used in HPC. The open-source community has continually improved Lustre features and performance to…
03/08/2023