GROMACS GPU Benchmark and Hardware Recommendations
Por um escritor misterioso
Last updated 29 maio 2024
In this blog, we benchmark the multiple server platforms and different GPU configurations performance in GROMACS MD and provide hardware recommendations.
Gromacs performance on different GPU types
GROMACS Molecular Dynamics Simulations Max Planck Institute for Multidisciplinary Sciences
CPU Tests: Office and Science - AMD Zen 3 Ryzen Deep Dive Review: 5950X, 5900X, 5800X and 5600X Tested
Hardware Recommendations for Scientific Computing
How to Benchmark GROMACS GPU Acceleration on HPC Clusters - Microway
A Guide to CUDA Graphs in GROMACS 2023
A series of performance benchmarks for MD Apps, including GROMACS - User discussions - GROMACS forums
More bang for your buck: Improved use of GPU nodes for GROMACS 2018 - Kutzner - 2019 - Journal of Computational Chemistry - Wiley Online Library
Asynchronous in Situ Processing with Gromacs: Taking Advantage of GPUs
GROMACS and LUMI Supercomputer Transform Molecular Dynamics Simulations with AMD MI250X GPUs
Throughput of the GPU-offloaded computation: short-range non-bonded
MD Simulation of GROMACS with AMD EPYC 7003 Series Processors on Dell EMC PowerEdge Servers
HPC-IITD: Benchmarks
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