Commodity Comparisons with High-end Systems:Compaq AlphaServer SC ES45/1000 and the IBM SP/p690

CS10 - Pentium4/266 Xeon + Myrinet 2k

% of 32-CPU AlphaServer SC IBM SP/p690

GAMESS-UK

SCF 91% 83%

DFT 85-103% 85-108%

DFT (Jfit) 75% 81%

DFT Gradient 85% 82%

MP2 Gradient 59% † 75% †

SCF Forces 92% † 114%

GAMESS / CHARMM 89% † 139%

DL_POLY- 2 (and - 3)

Ionic Systems 77- 95% ( 91%) 66-89% (78%)

Macromolecular 75% ( 92%) 86% (97%

CHARMM 139%

CASTEP 60-83% 44-54%

CPMD 60-65% 75-79%

ANGUS 36-73% 56-70%

SBLI 53% 47%

† CS9 Pentium 4/2000

+ Myrinet 2k

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