AWS HPC Blog

Tag: Molecular Modeling

Figure 4: Relative price-to-performance ratio ($USD/ns) while scaling the simulation across single and multi-GPU instances and comparing to CPU (EFA enabled) performance-to-price (baseline CPU perf).

Running GROMACS on GPU instances: multi-node price-performance

This three-part series of posts cover the price performance characteristics of running GROMACS on Amazon Elastic Compute Cloud (Amazon EC2) GPU instances. Part 1 covered some background no GROMACS and how it utilizes GPUs for acceleration. Part 2 covered the price performance of GROMACS on a particular GPU instance family running on a single instance. […]

Figure 4: Performance scaling as a function of CPU core count increase while number of GPU's remain constant.

Running GROMACS on GPU instances: single-node price-performance

This three-part series of posts cover the price performance characteristics of running GROMACS on Amazon Elastic Compute Cloud (Amazon EC2) GPU instances. Part 1 covered some background no GROMACS and how it utilizes GPUs for acceleration. This post (Part 2) covers the price performance of GROMACS on a particular GPU instance family running on a […]