/mAMBER

Paralle Acceleration for AMBER on Tianhe-2

Primary LanguageCGNU General Public License v3.0GPL-3.0

mAMBER

mAMBER is parallel acceleration version of the MD simulation software AMBER. We applied three different level of optimization: fine grained OpenMP parallel on a single CPU, single node CPU-MIC parallel optimization and multi-node multi-MIC collaborated parallel acceleration. By the three optimization methodologies the highest speedup of 5-6 times is achieved compared with the original program.