By Cong Peiwen and Yan Jie (Mechanobiology Institute) on 28 May, 2015
Introduction Free energy is the thermodynamic quantity of potential importance, because it reflects the intrinsic characteristics of targeting systems. In a …
» How To Be More Productive in HPC
By Tan Chee Chiang (Research Computing, Computer Centre) on 28 May, 2015
When you are running research simulation at our HPC system, using as many CPU cores as you can get for a …
» Achieving High Performance Through Benchmarking and Compilation Optimization
By Wang Junhong, Zhang Xinhuai (Research Computing, Computer Centre), Srikanth Gumma (Research Computing, Wipro Limited), Krishna Mohan Gupta (Department of Chemical and Biomolecular Engineering) on 28 May, 2015
Introduction Over the years, many open-source software packages for scientific research have been developed and are widely accepted by research community. …