Gaussian98.a.7 Benchmarks
Acetamide (CH3COHH2),
C1 symmetry
Notes:
-
FORMAT -- MM:SS and HH:MM:SS
-
Times were obtained with the Unix time command
-
Times given are for a single run
-
70 basis functions
B3LYP/6-31G*
|
| Type of Node |
Processors
|
Wall Clock Time
|
|
|
|
| |
|
Energy
|
Gradient
|
Frequency
|
|
| Winterhawk-2 |
1
|
0:44
|
1:35
|
7:16
|
| |
2
|
0:33
|
1:03
|
4:03
|
| |
4
|
0:32
|
0:51
|
2:49
|
| Nighthawk-1 |
|
1:06
|
2:40
|
12:38
|
| R12000 |
|
0:47
|
2:15
|
13:51
|
| R10000 |
|
1:25
|
3:29
|
23:49
|
|
HF/6-31G*
|
| Type of Node |
Processors
|
Wall Clock Time
|
|
|
|
| |
|
Energy
|
Gradient
|
Frequency
|
|
| Winterhawk-2 |
1
|
0:29
|
0:47
|
2:07
|
| |
2
|
0:27
|
0:40
|
1:31
|
| |
4
|
0:33
|
0:38
|
1:21
|
| Nighthawk-1 |
|
0:48
|
1:16
|
3:33
|
| R12000 |
|
0:24
|
0:43
|
2:19
|
| R10000 |
|
0:41
|
1:26
|
4:26
|
|
MP2/6-31G*
|
| Type of Node |
Processors
|
Wall Clock Time
|
|
|
|
| |
|
Energy
|
Gradient
|
Frequency
|
|
| Winterhawk-2 |
1
|
0:35
|
1:17
|
7:25
|
| |
2
|
0:32
|
1:03
|
6:40
|
| |
4
|
0:31
|
1:02
|
6:43
|
| Nighthawk-1 |
|
0:56
|
1:59
|
12:16
|
| R12000 |
|
0:31
|
1:21
|
11:39
|
| R10000 |
|
0:56
|
2:13
|
19:48
|
|
MP4SDQ/6-31G*
|
| Type of Node |
Processors
|
Wall Clock Time
|
|
|
|
| |
|
Energy
|
Gradient
|
Frequency
|
|
| Winterhawk-2 |
1
|
1:50
|
4:38
|
3:28:11
|
| |
2
|
0:55
|
3:26
|
3:22:34
|
| |
4
|
0:58
|
4:15
|
3:10:50
|
| Nighthawk-1 |
|
1:37
|
4:31
|
5:02:15
|
| R12000 |
|
1:07
|
5:52
|
5:14:36
|
| R10000 |
|
2:40
|
10:18
|
7:47:31
|
|
MP4/6-31G*
|
| Type of Node |
Processors
|
Wall Clock Time
|
|
|
|
| |
|
Energy
|
Gradient
|
Frequency
|
|
| Winterhawk-2 |
1
|
3:51
|
3:15:05
|
36:08:52
|
| |
2
|
3:00
|
3:10:58
|
-
|
| |
4
|
2:57
|
2:35:26
|
35:44:55
|
| Nighthawk-1 |
|
6:21
|
4:10:47
|
88:20:49
|
| R12000 |
|
5:37
|
6:12:10
|
79:02:53
|
| R10000 |
|
9:38
|
8:06:25
|
-
|
|