High-Scalable Collaborated Parallel Framework for Large-Scale Molecular Dynamic Simulation on Tianhe-2 Supercomputer.
Peng S, Zhang X, Su W, Dong D, Lu Y, Liao X, Lu K, Yang C, Liu J, Zhu W, Wei D.
Peng S, et al.
IEEE/ACM Trans Comput Biol Bioinform. 2020 May-Jun;17(3):804-816. doi: 10.1109/TCBB.2018.2805709. Epub 2018 Feb 13.
IEEE/ACM Trans Comput Biol Bioinform. 2020.
PMID: 29994638
In this paper, we propose a parallel acceleration strategy for AMBER on the Tianhe-2 supercomputer. The parallel optimization of AMBER is carried out on three different levels: fine grained OpenMP parallel on a single CPU, single node CPU/MIC parallel optimization and mult …
In this paper, we propose a parallel acceleration strategy for AMBER on the Tianhe-2 supercomputer. The parallel optimization of AMBE …