| COMPUTER | SCH | PC | 2CPU-HT | 2CPU-NHT | SGI-N | SGI-D |
| JOB | ||||||
| SPACE | ||||||
|
QCISD gauche EtOH (C1) %NPROC=1 |
145 | 117 | 83 | 83 | 414 | 431 |
| SPACE | ||||||
|
QCISD gauche EtOH (C1) %NPROC=2 |
145 (50%) | - | 83 (50 %) | 83 (50%) | 351 (59%) | 385 (56%) |
| SPACE | ||||||
|
QCISD anti EtOH (Cs) %NPROC=1 |
52 | 39 | 29 | 29 | 132 | 128 |
| SPACE | ||||||
|
QCISD anti EtOH (Cs) %NPROC=2 |
51 (51%) | - | 29 (50 %) | 29 (50%) | 126 (52%) | 118 (54%) |
| SPACE | ||||||
|
CCSD(T) gauche EtOH (C1) %NPROC=1 |
45 | 41 | 26 | 26 | 102 | 111 |
| SPACE | ||||||
|
CCSD(T) gauche EtOH (C1) %NPROC=2 |
44 (50%) | - | 26 (50%) | 26 (50%) | 82 (62%) | 79 (70%) |
| SPACE | ||||||
|
CCSD(T) anti EtOH (Cs) %NPROC=1 |
19 | 16 | 11 | 11 | 45 | 43 |
| SPACE | ||||||
|
CCSD(T) anti EtOH (Cs) %NPROC=2 |
19 (50%) | - | 11 | 11 (50%) | 43 (52%) | 43 (50%) |
| SPACE | ||||||
|
DFT OPT %NPROC=1 |
1755 | 1519 | 949 | 963 | 2461 | 2542 |
| SPACE |
DFT OPT %NPROC=2 |
998 (88%) | - | 617 (77%) | 556 (87%) | 1249 (99%) | 1240 (100%) |
| SPACE |
DFT OPT %NPROC=4 |
- | - | 716 (33%) | - | 658 (94%) | 631 (100%) |
| SPACE | ||||||
|
DFT FREQ %NPROC=1 |
1479 | 1373 | 749 | 737 | 2937 | 3155 |
| SPACE | ||||||
|
DFT FREQ %NPROC=2 |
848 (87%) | - | 483 (78%) | 432 (85%) | 1492 (98%) | 1576 (100%) |
| SPACE | ||||||
|
DFT FREQ %NPROC=4 |
- | - | 670 (28%) | - | 884 (83%) | 889 (89%) |