Brief Introduction of CNGrid Operation and Support Center Dr. Zhonghua Lu Supercomputing Center, Computer Network Information Center Chinese Academy of Sciences September 16, 2005 ， Edinburgh

Overview of the China National Grid (CNGrid) key project supported by the National High-Tech R&D Program (the 863 program) 4-year project Launched in May 2002 Earliest and largest Grid project in China 100 million fund from the Chinese government (MOST) Two to three times more associated funds from local governments, application organizations, and industry

Major tasks of the project Developing a test-bed for the new information infrastructure — China National Grid (CNGrid) About 8 grid nodes across the country Interconnected by available networks Developing a 4TFlops high performance computer for the grid Developing a set of grid software to support grid applications and grid operation and management Developing several application grids Productive systems Demonstration of the future grid applications

Fund Allocation Testbed: 10 million Computing Nodes Operation and support center HPC: 40 million Software: 12 million Application: 27 million Strategic study and integration: 5 million Evaluation centers: 3 million Other: 3 million

Computer Network Information Center

Tsinghua University

CNGrid Operation and Support Center

Established in September of 2004 Based on CNIC (Computer Network Information Center, CAS) Team: Tshua University, Shanhai Supercomputer Center, all nodes group CNGrid Operation and Support Center

Functions of CNGrid Operation and Support Center ( Grid file management System monitor User management Job submit/query Role management Policy management Training ……

Facilities Lenovo DeepComp 6800, a Grid- oriented 5.3 Teraflops supercomputer, Performance Highlights: Scientific Computing Benchmark - Linpack ( Peak Performance: Teraflops HPL Performance: Teraflops TOP 500, Rank 14 (Nov, 16, 2003) Top 100, Rank 1 (Nov, 8, 2003, China)

CNGrid portal

Grid system monitoring

Grid system monitoring(Cont.)

User Management

Grid Technique BBS

Grid Applications Applications in nodes Application Grids development

Applications in computing nodes from CNGrid Portal Bioinfomatics Environment science Material science Computational chemistries Distributed java computing Scientific visualization ……

Applications in computing nodes from CNGrid Portal （ Cont. ） Bioinfomatics Blast: Sequences similarity searching tool of NCBI bgf: BGI Gene Finding program Siclone: finding new gene based on EST MEME: discovering some motifs which appear repeated from a set of sequences using EM algorithm. ……

Applications in computing nodes from CNGrid Portal （ Cont.2 ） Environment Science MM5:is a limited-area, nonhydrostatic, terrain-following sigma-coordinate model designed to simulate or predict mesoscale atmospheric circulation.

Applications in computing nodes from CNGrid Portal （ Cont.3 ） Material science ALCMD:Classic Molecular Dynamics Program by Ames Lab PSSP (parallel version): This program is used to solve molecular crystal structures from X-ray powder diffraction data using the simulated annealing algorithm. LS-DYNA: a general purpose transient dynamic finite element program capable of simulating complex real world problems.

Applications in computing nodes from CNGrid Portal （ Cont.4 ） Computational Chemistries GAUSSIAN03: Starting from the basic laws of quantum mechanics, Gaussian predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types. ADF2004: The Amsterdam Density Functional (ADF) package is software for first-principles electronic structure calculations. ADF is used by academic and industrial researchers worldwide in such diverse fields as pharmacochemistry and materials science.

Applications in computing nodes from CNGrid Portal （ Cont.5 ） Distributed java computing RayTracing: based on JESSICA2 ray tracing application GRayTracing: based on G-JavaMPI ray tracing application

Applications in computing nodes from CNGrid Portal （ Cont.6 ） Scientific Visualization GrADs_Web: is an interactive desktop tool that is used for easy access, manipulation, and visualization of earth science data. GridMol: is a molecule visualization software based on Java3d. ParaView: process huge data with parallel and distributed visualization technique. LURR_SpaceView: earthquake history data synthesized, visulization

Application grids development Applications from selected areas Resource and Environment Research Services Manufacturing

Geological Survey Grid Undertaken by China National Geologic Survey Bureau Nation-wide productive grid Data exchange and sharing Resource evaluation services Shorten the evaluation time from 3 years to 3 months Delivering achievements in North China ground water resources evaluation Mineral resources evaluation

Digital Forestry Grid Undertaken by the Institute of Forest Resources Information Support turning the farmland back to forests potential evaluation project planning project evaluation

Potential Analysis (major rivers and lakes ）

Meteorological Service Grid Undertaken by China National Meteorological Center Multiple sites to form the research platform for new weather forecasting model research Provide new weather forecast services (time and location-specific)

MM5 mode （ 5km ） : simulation of rainfall of 30-36h, simulation result is 12h later than reality.

GRAPES_MESO mode （ 6km ） rain belt, center, and time close to real situation!

Result from GRAPES for forecasting snow (rain) in Dec. 21, 2004 （ grid ： 30km ）

Scientific Data Grid Undertaken by the Network & Information Center of CAS Integration of more than 200 scientific databases from more than 40 institutes across the country by means of metadata management Virtual astronomical observatory

Scientific Data Grid Portal

New drug discovery grid Undertaken by Shanghai Institute of Materia Medica CAS Compound screening for new drug discovery Speed up the process by computer simulation Higher accuracy Using HPC in P2P mode New drug for diabetes is under development and will enter clinic testing by the end of 2005

New Drug Discovery Grid Platform 神威机群神威机群 Shanghai SCC 神 威 PC 机 群 PC 神威PC机群神威PC机群 曙光4000A曙光4000A Beijing Medical Institute Shanghai Institute of Materia Medica CAS 主服务器主服务器

Bio-informatics Grid Undertaken by Genomics & Bioinformatics Institute, CAS Provide computing, data, and information grids for bio- information research in the country

Manufacturing Grid Undertaken by AVIC II of China Support distributed design, simulation, and manufacturing CAD software sharing Data exchange and sharing Computing resource sharing

哈飞 洪都 北京 628 Manufacturing Grid Aviation grid platform composed of three clusters in different locations

After optimization before optimization Added skinReduced skin Manufacturing Grid

Other application grids Education grid (ChinaGrid) Simulation grid Intelligent transportation grid PetroGrid

Summary CNGrid is the largest Grid project in China CNGrid Operation and Support Center takes very important role in CNGrid and in its Application There are some applications in CNgrid

Thank you! Welcome you to CNGrid Operation and Support Center Hope we have more collaboration with you all