Commodity Comparisons with High-end Systems:The Compaq AlphaServer SC ES45/1000

% of 32 CPUs of Compaq AlphaServer SC ES45/1000

Application Cluster CS10 CS12

Pentium4/2666 Xeon Pentium4/2400 Xeon

+ Myrinet 2k + Gbit Ethernet

GAMESS-UK

SCF 91% 85%

DFT 85-103% 78 - 95%

DFT (Jfit) 75% 70%

DFT Gradient 85% 85%

MP2 Gradient 59% †

SCF Forces 92% †

DL_POLY- 2 (and - 3)

Ionic Systems 77- 95% ( 91%) 66-82% ( 84%)

Macromolecular 75% ( 92%) 61% ( 86%)

CHARMM 139% 104%

CASTEP 60-83% 53- 66%

CPMD 60-65% 55%

ANGUS 36-73% 34-72%

SBLI 53% 51%

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