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PERFORMANCE of VARIOUS COMPUTERS in COMPUTATIONAL CHEMISTRY
OUTLINE
MEW13 (2002) - Summary PI relative to the HP RX2600 Itanium2/1000
Fortran Compilers - Performance
MACHINES UNDER EVALUATION
SPEC Benchmarks
SPEC CPU 2000 - Floating point Benchmark Suite (SPECfp2000)
SPEC CPU 2000 - SPECfp2000 Values relative to IBM p-series 690/pwr4 1.3 GHz
SPEC CPU 2000 - SPECfp2000_base Values relative to IBM p-series 690/pwr4 1.3 GHz
SPEC CPU 2000 - SPECint2000 Values relative to IBM p-series 690/pwr4 1.3 GHz
IBM p-series 690Turbo:Multi-chip Module (MCM)
SPEC CPU 2000 - SPECfp2000 Units of SPECfp as a function of Peak Performance
SPEC CPU 2000 - SPECfp vs SPECfp_rate (32 CPUs) Values relative to IBM 690 Turbo 1.7 GHz
Computational Chemistry Benchmark Suite
COMPUTATIONAL CHEMISTRY BENCHMARKS I. Matrix Operations
Matrix-97: SPARSE MMO Benchmark.
Matrix-97: Q†HQ MMO Benchmark.
Matrix-97: Diagonalisation Benchmark
The Matrix-97 Benchmarks.
COMPUTATIONAL CHEMISTRY KERNELS
Computational Chemistry Kernels - Direct-SCF.
Chemistry Kernels - Molecular Dynamics.
Chemistry Kernels - Quantum Monte Carlo.
Chemistry Kernels - Jacobi Solver.
STREAM: Measured Sustainable Memory Bandwidth in HPC (TRIAD)
STREAM: Sustainable Memory Bandwidth (TRIAD) per process
Computational Chemistry Kernels.
GAMESS-UK and DL_POLY Benchmarks
The GAMESS-UK Benchmark I. CPU
SPECfp2000 and the GAMESS-UK Benchmark
The GAMESS-UK-99 Benchmark
The GAMESS-UK and GAMESS-UK-99 Benchmark
The DL_POLY Benchmark.
SPECfp2000 and the DL_POLY Benchmark
Summary Index relative to the IBM p-series 690/pwr4 1.3 GHz
Computational Chemistry Rate Benchmark
Components of Chemistry Rate Benchmark
Rate Benchmark: DGEMM Component
Rate Benchmark: MMO FORTRAN
Rate Benchmark: Diagonalisation Component
Rate Benchmark: DL_POLY Component
Rate Benchmark: GAMESS-UK Component
Computational Chemistry Rate Metric
Chemistry Rate Benchmark
Evaluation and Benchmarking of High-end and Commodity-based Sytems
High-End Systems Evaluated
Commodity Systems (CSx) Prototype / Evaluation Hardware
Commodity Systems (CSx) II. Evaluation Hardware
Applications Performance Overview
Performance Metrics: 1999-2001
DL_POLY V2: High-end and Commodity-based Systems
Commodity Comparisons with High-end Systems: The Compaq AlphaServer SC ES45/1000
SUMMARY
Email: m.f.guest@dl.ac.uk
For more information about DisCo please contact Martyn Guest or Miles Deegan
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