Posts tagged OpenMP
GROMACS Performance on AMD Instinct MI355X
- 13 March 2026
Are you planning a hardware upgrade for your molecular dynamics workflows? In this blog, we benchmark GROMACS on AMD’s latest Instinct MI355X GPU and compare it head-to-head with the MI300X, demonstrating significant throughput improvements that accelerate time-to-results for life-science research. You will see exactly how much faster MI355X runs the standard ADH dodec benchmark across 1 to 8 GPUs. Use these results to make informed decisions about your next HPC deployment.
MI300A - Exploring the APU advantage
- 09 February 2025
This blog post will introduce you to the advantages of AMD Instinct™ MI300A accelerated processing unit (APU), discussing the hardware architecture and how to leverage its GPU programming capabilities.
Affinity part 2 - System topology and controlling affinity
- 16 April 2024
In Part 1 of the Affinity blog series, we looked at the importance of setting affinity for High Performance Computing (HPC) workloads. In this blog post, our goals are the following:
Affinity part 1 - Affinity, placement, and order
- 16 April 2024
Modern hardware architectures are increasingly complex with multiple sockets, many cores in each Central Processing Unit (CPU), Graphical Processing Units (GPUs), memory controllers, Network Interface Cards (NICs), etc. Peripherals such as GPUs or memory controllers will often be local to a CPU socket. Such designs present interesting challenges in optimizing memory access times, data transfer times, etc. Depending on how the system is built, hardware components are connected, and the workload being run, it may be advantageous to use the resources of the system in a specific way. In this article, we will discuss the role of affinity, placement, and order in improving performance for High Performance Computing (HPC) workloads. A short case study is also presented to familiarize you with performance considerations on a node in the Frontier supercomputer. In a follow-up article, we also aim to equip you with the tools you need to understand your system’s hardware topology and set up affinity for your application accordingly.