GROMACS GPU Benchmark and Hardware Recommendations
Descrição
In this blog, we benchmark the multiple server platforms and different GPU configurations performance in GROMACS MD and provide hardware recommendations.
BIZON, Recommended hardware, Customize and Buy the Best Computers for Molecular Dynamics, NAMD, GROMACS & LAMMPS
Massively Improved Multi-node NVIDIA GPU Scalability with GROMACS
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers - ScienceDirect
Running GROMACS on GPU instances: single-node price-performance
HPC Benchmarks - FSU Research Computing Center Documentation
Hardware Recommendations for Scientific Computing
Running GROMACS on GPU instances: single-node price-performance
HGPU group
A Guide to CUDA Graphs in GROMACS 2023
Molecules, Free Full-Text
NVIDIA Claims Ampere A100 Offers Up To 2x Higher Performance & 2.8x Efficiency Versus AMD Instinct MI250 GPUs
PDF) Best bang for your buck: GPU nodes for GROMACS biomolecular simulations
AMBER GPU Benchmarks
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