27. Benchmark

Platform  
CPU 4 Intel E5-2670 @ 2.6 GB
Memory 64 GB DDR3
OS Custom Redhat 6.6
BLAS MKL 11.0
Compiler Intel 13.0

Benzene, on 16 CPU cores

Basis 6-31G** cc-pVTZ ANO-Roos-TZ
HF 0.55 s 5.76 s 389.1 s
density fit HF 3.56 s 7.61 s 13.8 s
B3LYP 3.84 s 11.44 s 360.2 s
MP2 0.21 s 4.66 s 115.9 s
CASSCF(6,6) 2.88 s 34.73 s 639.7 s
CCSD 18.24 s 477.0 s 6721 s

C60, on 16 CPU cores

Basis 6-31G** cc-pVTZ
HF 1291 s 189 m
SOSCF (newton)   77 m
density fit HF 316.7 s 43.3 m

Fe(II)-porphyrin (FeC20H12N4), on 16 CPU cores

Basis cc-pVDZ cc-pVTZ cc-pVQZ
SOSCF (newton) 193.4 s 20.1 m 127.1 m
CASSCF(10,10) 1808 s 241 m  
CASSCF(11,8) 763.8 s 150.3 m 1280 m