GROMACS GPU Benchmark and Hardware Recommendations
Por um escritor misterioso
Last updated 26 abril 2025

In this blog, we benchmark the multiple server platforms and different GPU configurations performance in GROMACS MD and provide hardware recommendations.

AMBER GPU Benchmarks
Molecular Dynamics Benchmarks GPU Roundup GROMACS NAMD2 NAMD 3alpha on 12 GPUs

Asynchronous in Situ Processing with Gromacs: Taking Advantage of GPUs
SOFTX-D-15-00003/INSTALL at master · ElsevierSoftwareX/SOFTX-D-15-00003 · GitHub

HPC Benchmarks - FSU Research Computing Center Documentation

AMBER GPU Benchmarks

HPC-IITD: Benchmarks

intel's last advantage, Well not anymore : r/Amd

MD Simulation of GROMACS with AMD EPYC 7003 Series Processors on Dell EMC PowerEdge Servers