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.

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A Guide to CUDA Graphs in GROMACS 2023

NVIDIA GeForce RTX 3080 Offers Up Incredible Linux GPU Compute Performance Review - Phoronix

Gromacs Shootout: Intel Xeon Ice Lake vs. NVIDIA A100, A40, and others

Raw SP floating-point performance of selected GPU models as computed

More bang for your buck: Improved use of GPU nodes for GROMACS 2018 - Kutzner - 2019 - Journal of Computational Chemistry - Wiley Online Library

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

Gromacs Benchmarks on Biowulf

Exxact Corporation on LinkedIn: #namd #benchmark

A Guide to CUDA Graphs in GROMACS 2023

HPC Benchmarks - FSU Research Computing Center Documentation