高性能计算之源起——科学计算的应用现状及发展思考

ombining scientific modeling, algorithm, development of software, and computational simulation, high performance computing plays a very important role in key scientific discoveries of basic scientific research area and modern engineering technology. Starting from demands of different scientific computing applications toward high performance computer and its development trend, this article analyzed a successful case that scientists from different institutes of Chinese Academy of Sciences (CAS) by working together finished a variety of application packages on Dawning 1000 supercomputer. They achieved some milestones in electronic structure calculation of natural DNA molecule, electronic state theoretical analysis of laser crystal material, and parallel computing of eigenvalue problem. CAS is always in the frontier of domestic scientific computing applications these years. In the condition of higher application level, larger computational scale, and outstanding achievements, we selected several typical traditional scientific computing applications including atmosphere science, life science, high energy physics, computational chemistry, material science and introduced their current status, promotion to application field, and future trend from a point of view of a scientist. Finally, several suggestions on developing Chinas further scientific computing have been proposed.