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High Performance Computing on Vector Systems 2005

De
InMarch2005about40scientistsfromEurope,JapanandtheUScametogether the second time to discuss ways to achieve sustained performance on superc- puters in the range of Tera?ops. The workshop held at the High Performance Computing Center Stuttgart (HLRS) was the second of this kind. The ?rst one had been held in May 2004. At both workshops hardware and software issues were presented and applications were discussed that have the potential to scale and achieve a very high level of sustained performance. The workshops are part of a collaboration formed to bring to life a concept that was developed in 2000 at HLRS and called the “Tera?op Workbench”. The purpose of the collaboration into which HLRS and NEC entered in 2004 was to turn this concept into a real tool for scientists and engineers. Two main goals were set out by both partners: • To show for a variety of applications from di?erent ?elds that a sustained level of performance in the range of several Tera?ops is possible. • To show that di?erent platforms (vector based systems, cluster systems) can be coupled to create a hybrid supercomputer system from which applications can harness an even higher level of sustained performance.
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Contents
Future Architectures in Supercomputing
The NEC SX8 Vector Supercomputer System S. Tagaya, M. Nishida, T. Hagiwara, T. Yanagawa, Y. Yokoya, H. Takahara, J. Stadler, M. Galle, and W. Bez. . . . . . . . . . . . . . . . . . . . . . . .
3
Have the Vectors the Continuing Ability to Parry the Attack of the Killer Micros? P. Lammers, G. Wellein, T. Zeiser, G. Hager, and M. Breuer. . . . . . . . . . .25
Performance and Applications on Vector Systems
Performance Evaluation of LatticeBoltzmann Magnetohydrodynamics Simulations on Modern Parallel Vector Systems J. Carter and L. Oliker. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .41
Over 10 TFLOPS Computation for a Huge Sparse Eigensolver on the Earth Simulator T. Imamura, S. Yamada, and M. Machida. . . . . . . . . . . . . . . . . . . . . . . . . . . .51
FirstPrinciples Simulation on Femtosecond Dynamics in Condensed Matters Within TDDFTMD Approach Y. Miyamoto. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .63
Numerical Simulation of Transition and Turbulence in WallBounded Shear Flow P. Schlatter, S. Stolz, and L. Kleiser. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .77
XII
Contents
Applications I: Finite Element Method
Computational Efficiency of Parallel Unstructured Finite Element Simulations M. Neumann, U. Küttler, S.R. Tiyyagura, W.A. Wall, and E. Ramm. . . . .
89
The Role of Supercomputing in Industrial Combustion Modeling N. CurrleLinde, B. Risio, U. Küster, and M. Resch. . . . . . . . . . . . . . . . . . .109
Applications II: Fluid Dynamics
Simulation of the Unsteady Flow Field Around a Complete Helicopter with a Structured RANS Solver T. Schwarz, W. Khier, and J. Raddatz. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .125
A Hybrid LES/CAA Method for Aeroacoustic Applications Q. Zhang, P. Bui, W.A. ElAskary, M. Meinke, and W. Schröder. . . . . . . .139
Simulation of Vortex Instabilities in Turbomachinery A. Ruprecht. . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155
Applications III: Particle Methods
Atomistic Simulations on Scalar and Vector Computers F. Gähler and K. Benkert. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .173
Molecular Simulation of Fluids with Short Range Potentials M. Bernreuther and J. Vrabec. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .187
Toward TFlop Simulations of Supernovae K. Kifonidis, R. Buras, A. Marek, and T. Janka. . . . . . . . . . . . . . . . . . . . . . .197
Applications IV: Turbulence Simulation
Statistics and Intermittency of Developed Channel Flows: a Grand Challenge in Turbulence Modeling and Simulation K.N.Beronov,F.Durst,N.Özyilmaz,andP.Lammers. . . . . . . . . . . . . . . . .215
Direct Numerical Simulation of Shear Flow Phenomena on Parallel Vector Computers A. Babucke, J. Linn, M. Kloker, and U. Rist. . . . . . . . . . . . . . . . . . . . . . . . . .229
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