GROMACS GPU Benchmark and Hardware Recommendations
Por um escritor misterioso
Last updated 09 fevereiro 2025
In this blog, we benchmark the multiple server platforms and different GPU configurations performance in GROMACS MD and provide hardware recommendations.
Maximizing resource usage in multifold molecular dynamics with rCUDA - Javier Prades, Baldomero Imbernón, Carlos Reaño, Jorge Peña-García, Jose Pedro Cerón-Carrasco, Federico Silla, Horacio Pérez-Sánchez, 2020
Performance benchmarks for mainstream molecular dynamics simulation Apps on consumer GPUs from AMD, NVIDIA and Intel - Switch to AMD [Part Ⅰ] - Entropy Space
NVIDIA GeForce RTX 3080 Offers Up Incredible Linux GPU Compute Performance Review - Phoronix
LAMMPS Benchmarks
Molecular Dynamics Benchmarks GPU Roundup GROMACS NAMD2 NAMD 3alpha on 12 GPUs
MD Simulation of GROMACS with AMD EPYC 7003 Series Processors on Dell EMC PowerEdge Servers
Intel vs Epyc Benchmark GROMACS 2019.4 [Updated] : r/Amd
Hardware Recommendations for Scientific Computing
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers - ScienceDirect
Running HPC workloads with Red Hat OpenShift Using MPI and Lustre Filesystem
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers - SoftwareX
Molecules, Free Full-Text
GROMACS GPU Benchmark and Hardware Recommendations
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