GROMACS GPU Benchmark and Hardware Recommendations
Por um escritor misterioso
Last updated 19 março 2025

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

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers - ScienceDirect
GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design

A Guide to CUDA Graphs in GROMACS 2023

BIZON, Recommended hardware, Customize and Buy the Best Computers for Molecular Dynamics, NAMD, GROMACS & LAMMPS

How Fast Can Amber and Gromacs Job Run With P100 GPU Accelerator – NUS Information Technology

Efficient molecular dynamics simulations on LUMI - LUMI

Comparison of job performance using GROMACS and ddCMD for one to four

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

GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design

How Fast Can Amber and Gromacs Job Run With P100 GPU Accelerator – NUS Information Technology
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