Gaussian
Benchmark
1.
alpha phinene HF single point energy calculations, l502.exe
|
|
Power4 1.3 GHz |
SGI Origin 2000 250 GHz |
HP Superdome 750 MHz |
|||
|
# of
processors |
time |
speedup |
Time |
Speedup |
Time |
Speedup |
|
1 |
843 |
1.00 |
3418.4 |
1.00 |
975.7 |
1.00 |
|
2 |
439 |
1.92 |
1723.9 |
1.98 |
552.2 |
1.77 |
|
4 |
282 |
2.99 |
907.2 |
3.77 |
272.0 |
3.58 |
|
8 |
164 |
5.14 |
473.4 |
7.22 |
148.3 |
6.58 |
|
16 |
97 |
8.69 |
271.4 |
12.60 |
83.8 |
11.64 |
|
32 |
63 |
13.38 |
180.8 |
18.91 |
50.7 |
19.24 |

2. Gaussian
Benchmark for B3LYP Force Calculation on Valinomycin
|
|
L502.exe |
L703.exe |
||||||||||
|
Power4 1.3 GHz |
SGI Origin 2000 250 MHz |
HP Superdome 750
MHZ |
Power4 1.3 GHz |
SGI Origin 2000 250 MHz |
HP Superdome 750
MHZ |
|||||||
|
# of processors |
time |
speedup |
time |
speedup |
time |
speedup |
time |
speedup |
time |
speedup |
time |
speedup |
|
1 |
12437 |
1.00 |
60554.9 |
1.00 |
19382.8 |
1.00 |
3039 |
1.00 |
12004.7 |
1.00 |
4243.6 |
1.00 |
|
2 |
6509 |
1.91 |
31605.2 |
1.92 |
12713.6 |
1.52 |
1651 |
1.84 |
6100.3 |
1.99 |
2544.6 |
1.67 |
|
4 |
4421 |
2.81 |
18787.2 |
3.22 |
6301.4 |
3.08 |
1095 |
2.78 |
3212.8 |
3.74 |
1189.3 |
3.57 |
|
8 |
2692 |
4.62 |
12009.7 |
5.04 |
3705.3 |
5.23 |
626 |
4.85 |
1879.2 |
6.39 |
606.6 |
7.00 |
|
16 |
1788 |
6.96 |
9139.7 |
6.62 |
2435.3 |
7.96 |
398 |
7.64 |
1145.4 |
10.48 |
317.2 |
13.38 |
|
32 |
1370 |
9.08 |
5666.2 |
10.69 |
1766.3 |
10.97 |
294 |
10.34 |
862.1 |
13.92 |
161.4 |
26.29 |

