Performance of Scientific Applications on Modern Supercomputers

We discuss performance characteristics of scientific applications on modern computer architectures, ranging from commodity “off-the-shelf” (COTS) systems like clusters, to tailored High Performance Computing (HPC) systems, e.g. NEC SX6 or CRAY X1. The application programs are selected from important HPC projects which have been supported by the KONWIHR project cxHPC. In general we focus on the single processor performance and give some optimisation/parallelisation hints, if appropriate. For computational fluid dynamics (CFD) applications we also discuss parallel performance to compare COTS with tailored HPC systems. We find, that an HPC environment with a few tailored “central” high-end systems and “local” mid-size COTS systems supports our users' requirements best.

[1]  Gunther Brenner,et al.  Direct Simulation with the Lattice Boltzmann Code BEST of Developed Turbulence in Channel Flows , 2003 .

[2]  J. Boon.  The Lattice Boltzmann Equation for Fluid Dynamics and Beyond , 2003 .

[3]  Ernst Rank,et al.  Numerical Prediction of Deformations and Oscillations of Wind-Exposed Structures , 2002 .

[4]  Jack Dongarra,et al.  High Performance Computing for Computational Science — VECPAR 2002 , 2003, Lecture Notes in Computer Science.

[5]  J. S. Reeve,et al.  Parallel versions of Stone's strongly implicit algorithm , 2001, Concurr. Comput. Pract. Exp..

[6]  Hiroshi Takahara,et al.  A 26.58 Tflops Global Atmospheric Simulation with the Spectral Transform Method on the Earth Simulator , 2002, ACM/IEEE SC 2002 Conference (SC'02).

[7]  Arndt Bode,et al.  High Performance Computing in Science and Engineering,Munich 2002 , 2003 .

[8]  Joel H. Ferziger,et al.  Computational methods for fluid dynamics , 1996 .

[9]  H. L. Stone.  ITERATIVE SOLUTION OF IMPLICIT APPROXIMATIONS OF MULTIDIMENSIONAL PARTIAL DIFFERENTIAL EQUATIONS , 1968 .

[10]  J. Shalf,et al.  Evaluation of Cache-based Superscalar and Cacheless Vector Architectures for Scientific Computations , 2003, ACM/IEEE SC 2003 Conference (SC'03).

[11]  Gerhard Wellein,et al.  Pseudo-Vectorization and RISC Optimization Techniques for the Hitachi SR8000 Architecture , 2003 .

[12]  Michael Breuer,et al.  Large-Eddy and Detached-Eddy Simulation of the Flow Around High-Lift Configurations , 2003 .

[13]  Yoshiki Seo,et al.  14.9 TFLOPS Three-Dimensional Fluid Simulation for Fusion Science with HPF on the Earth Simulator , 2002, ACM/IEEE SC 2002 Conference (SC'02).

[14]  D. Wolf-Gladrow.  Lattice-Gas Cellular Automata and Lattice Boltzmann Models: An Introduction , 2000 .

[15]  Chen Ji,et al.  A 14.6 billion degrees of freedom, 5 teraflops, 2.5 terabyte earthquake simulation on the Earth Simulator , 2003, ACM/IEEE SC 2003 Conference (SC'03).

[16]  M Henkel,et al.  Aging, phase ordering, and conformal invariance. , 2001, Physical review letters.

[17]  M. Reiher,et al.  Dinuclear diazene iron and ruthenium complexes as models for studying nitrogenase activity. , 2001, Chemistry.