Web Computing and Scientific Software development Tung-Han Hsieh ( 謝東翰 ) ‏ Assistant Technician Research Center for Applied Sciences, Academia Sinica.

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Presentation transcript:

Web Computing and Scientific Software development Tung-Han Hsieh ( 謝東翰 ) ‏ Assistant Technician Research Center for Applied Sciences, Academia Sinica

Web Computing System architecture - Web interface for scientific computation. - Cluster filesystem for distributed I/O. - Infiniband network for high speed communication - High performance GPU computing Ab-initio first principle nano-structure & chemical computation. Research and development platform for our research fellows and collaborators.

The HPC Facilities of RCAS HP Blade System (C-class)‏IBM BladeCenter (H-class)‏Supermicro GPU server‏

Adaptive Thick Restart Lanczos Algorithm (for low-lying eigenmode projection) Dedicate for Hermition matrix A. Can attain > 50% better performance than ARPACK k is optimized for the best performance via maximize of the following object function

Scientific package development (coordinated by Dir. Chang)‏ Motivation Current available packages treat the whole system altogether, which requires enormous computing resources. Cannot handle large complicated nano-particles, nor the interaction between nano-particles. We need a new ab-initio computation method to handle large complicated nono- structures with good accuracy. Idea Using the boundary-integral method to solve the whole Green's function from the ones in sub-domains.

Scientific package development This is the on-going development project

Outlooks For HPC development: For HPC development: Software porting to GPU platform.Software porting to GPU platform. Large scale parallel computation.Large scale parallel computation. For scientific software development: For scientific software development: Complete the implementation of the boundary integral method software.Complete the implementation of the boundary integral method software. Investigate novel numerical algorithms.Investigate novel numerical algorithms. Get involve into more scientific software developments.Get involve into more scientific software developments. For informatics of RCAS: For informatics of RCAS: Web applications development.Web applications development. Network security improvement.Network security improvement.