GROMACS GPU Benchmark and Hardware Recommendations

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

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

GPU Accelerated Computational Chemistry Applications

AMBER GPU Benchmarks

Performance Cookbook — GROMACS Best Practice Guide documentation

GROMACS GPU Benchmark and Hardware Recommendations

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

GROMACS GPU Benchmark and Hardware Recommendations

The transformational role of GPU computing and deep learning in drug discovery

PDF) Best bang for your buck: GPU nodes for GROMACS biomolecular simulations

HPC Performance on AWS

HPC Benchmarks - FSU Research Computing Center Documentation

HGPU group