New benchmark tests produced by Shiro KOSEKI.

Updated on Sep. 09, 2018.

You are the -th visitor after the modification on Oct,2001 (Apr. 2008) .

Benchmark tests on HF-based methods

Hardware
(hostname)
Softwaretime RHF
# 1
RHF
# 2
DFT
# 3
DFT
# 4
MP2
# 5
MP2
# 6
Av.GAMESSMemo
EM64TCi7 4.125GHz
4 cpus
64000MB 4000.0GB
(Ir SMP )
Fedora 20 ifort 11 mkl-10.1 CPU 8.03 6.23 6.92 7.64 7.59 13.81 8.37 gms13may Core i7 5820, 3.3Hz/quad core (DIY), 64GB, sATA*2 (2014/10/**)
Wall 7.50 5.78 6.66 7.23 4.76 10.23 7.02
EM64TCi7 4.000GHz
5 cpus
64000MB 4000.0GB
(Re SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 7.20 5.92 6.07 6.62 7.61 12.35 7.63 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/18)
Wall 6.60 5.94 5.94 6.26 4.88 9.19 6.47
EM64TCi7 4.000GHz
4 cpus
64000MB 4000.0GB
(Re SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 6.79 5.90 6.19 6.49 7.29 12.17 7.47 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/18)
Wall 6.47 5.94 6.13 6.18 4.53 9.11 6.39
EM64TCi7 3.780GHz
4 cpus
64000MB 4000.0GB
(Hg SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 6.14 5.50 5.86 5.97 6.78 11.44 6.95 gms13may Core i7 3820, 3.60GHz/quad core LGA2011, 64GB, sATA*2 (2013/10/17)
Wall 5.89 5.62 5.76 5.70 4.43 8.54 5.99
EM64TCi7 3.708GHz
4 cpus
32000MB 4000.0GB
(Zr SMP )
Fedora 16 ifort 11 mkl-10.1 CPU 6.15 5.59 5.15 5.47 6.34 10.87 6.60 gms11jan Core i7 3820, 3.6GHz/quad core LGA2011, 32GB, sATA*2 (2012/9/17)
Wall 5.89 5.33 4.95 5.23 3.75 7.69 5.47
EM64TCi7 4.000GHz
3 cpus
64000MB 4000.0GB
(Re SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 5.12 4.51 4.87 5.04 5.51 9.36 5.74 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/18)
Wall 4.93 4.84 4.95 4.79 3.42 6.97 4.98
Opteron 2.600GHz
16 cpus
12000MB 1000.0GB
(Chisso )
FCore 5 gcc-4.1.1 ACML3.1.0 CPU 8.11 7.83 2.38 2.92 7.09 ***** 5.67 gms06jul Opteron 2.6GHz, dual core
Wall 7.50 8.67 2.19 2.51 2.95 ***** 4.77
EM64TCi7 3.780GHz
3 cpus
64000MB 4000.0GB
(Hg SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 4.63 4.15 4.60 4.60 5.11 8.75 5.31 gms13may Core i7 3820, 3.60GHz/quad core LGA2011, 64GB, sATA*2 (2013/10/17)
Wall 4.52 4.52 4.65 4.42 3.42 6.57 4.68
EM64TCi7 3.708GHz
3 cpus
32000MB 4000.0GB
(Zr SMP )
Fedora 16 ifort 11 mkl-10.1 CPU 4.60 4.21 4.14 4.31 4.96 8.52 5.12 gms11jan Core i7 3820, 3.6GHz/quad core LGA2011, 32GB, sATA*2 (2012/9/17)
Wall 4.40 4.43 4.11 4.14 3.20 6.14 4.40
EM64TCi7 4.125GHz
2 cpus
64000MB 4000.0GB
(Ir SMP )
Fedora 20 ifort 11 mkl-10.1 CPU 4.05 3.32 3.67 4.01 3.95 7.11 4.35 gms13may Core i7 5820, 3.3Hz/quad core (DIY), 64GB, sATA*2 (2014/10/**)
Wall 3.88 3.65 3.71 3.86 2.64 5.32 3.84
Hardware
(hostname)
Softwaretime RHF
# 1
RHF
# 2
DFT
# 3
DFT
# 4
MP2
# 5
MP2
# 6
Av.GAMESSMemo
EM64TCi7 4.000GHz
2 cpus
64000MB 4000.0GB
(Re SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 3.40 3.02 3.32 3.42 3.70 6.25 3.85 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/18)
Wall 3.30 3.53 3.39 3.29 2.38 4.70 3.43
EM64TCi7 3.780GHz
2 cpus
64000MB 4000.0GB
(Hg SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 3.09 2.81 3.12 3.13 3.45 5.91 3.59 gms13may Core i7 3820, 3.60GHz/quad core LGA2011, 64GB, sATA*2 (2013/10/17)
Wall 3.03 3.25 3.22 3.04 2.32 4.47 3.22
EM64TCi7 3.603GHz
2 cpus
32000MB 4000.0GB
(Te SMP )
Fedora 15 ifort 11 mkl-10.1 CPU 3.24 3.04 3.04 3.15 3.53 5.98 3.66 gms11jan Core i7 2700k, 3.50(3.60)GHz/quad core, 32GB, sATA*2 (2012/10/06)
Wall 3.11 3.20 3.06 3.04 2.32 4.39 3.19
EM64TCi7 3.503GHz
2 cpus
8000MB 1000.0GB
(zincSMP )
Fedora 15 ifort 11 mkl-10.1 CPU 3.49 3.18 3.25 3.44 3.88 6.49 3.95 gms11jan Core i7 2600k, 3.40(3.50)GHz/quad core (DIY), 8GB, sATA (2011/09/15)
Wall 3.44 2.26 2.70 3.33 2.53 4.76 3.17
EM64TCi7 3.708GHz
2 cpus
32000MB 4000.0GB
(Zr SMP )
Fedora 16 ifort 11 mkl-10.1 CPU 3.09 2.86 2.93 2.99 3.36 5.84 3.51 gms11jan Core i7 3820, 3.6GHz/quad core LGA2011, 32GB, sATA*2 (2012/9/17)
Wall 3.00 3.15 2.97 2.90 2.22 4.31 3.09
Opteron 2.600GHz
8 cpus
12000MB 1000.0GB
(Chisso )
FCore 5 gcc-4.1.1 ACML3.1.0 CPU 4.15 4.27 1.40 1.66 3.70 5.21 3.40 gms06jul Opteron 2.6GHz, dual core
Wall 3.93 4.73 1.39 1.55 1.77 2.44 2.63
EM64TCi7 3.333GHz
2 cpus
8000MB 1500.0GB
(manganese )
Fedora 16 ifort 11 mkl-10.1 CPU 2.51 2.20 1.95 2.21 2.47 4.22 2.59 gms11jan SMP, Core i5 661, 3.33GHz (DIY), 8GB, sATA
Wall 2.44 2.26 1.93 2.12 1.62 3.07 2.24
EM64TCi7 2.960GHz
2 cpus
12000MB 2500.0GB
(polonium )
Fedora 20 ifort 11 mkl-10.1 CPU 2.23 2.00 2.09 2.20 2.34 4.08 2.49 gms13may Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA*2, clock-up to 2.96
Wall 2.19 2.00 2.10 2.14 1.59 3.09 2.18
EM64TCi7 3.000GHz
4 cpus
12000MB 1000.0GB
(platinum )
Fedora 10 ifort 11 mkl-10.1 CPU 2.82 2.55 2.57 2.25 1.04 1.53 2.13 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, IDE+sATA, clock-up to 3GHz
Wall 2.82 1.91 2.17 2.23 1.20 2.01 2.06
EM64TCi7 4.500GHz
1 cpu
64000MB 4000.0GB
(thallium )
Fedora 17 ifort 11 mkl-10.1 CPU 1.91 1.70 1.83 1.90 2.10 3.91 2.23 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/09/27)
Wall 1.85 2.04 1.91 1.85 1.42 3.00 2.01
Hardware
(hostname)
Softwaretime RHF
# 1
RHF
# 2
DFT
# 3
DFT
# 4
MP2
# 5
MP2
# 6
Av.GAMESSMemo
EM64TCi7 2.800GHz
3 cpus
8000MB 480.0GB
(chromium )
Fedora 12 ifort 11 mkl-10.1 CPU 2.52 2.47 2.12 2.13 0.89 1.30 1.91 gms09aug SMP, Core i7 860, 2.80GHz/quad core (DIY), 8GB, sATA, m1600GHz
Wall 2.50 1.62 1.78 2.13 1.20 2.05 1.88
EM64TCi7 3.000GHz
3 cpus
12000MB 1000.0GB
(platinum )
Fedora 10 ifort 11 mkl-10.1 CPU 2.51 2.00 2.07 1.75 0.84 1.32 1.75 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, IDE+sATA, clock-up to 3GHz
Wall 2.56 1.73 2.01 1.75 1.10 2.07 1.87
EM64TCi7 3.060GHz
2 cpus
24000MB 820.0GB
(iron SMP )
Fedora 14 ifort 11 mkl-10.1 CPU 2.19 1.95 1.88 2.00 1.99 3.09 2.18 gms10apr Core i7 950, 3.06GHz/quad core (DIY), 24GB, sATA*2 (2010/11/09)
Wall 2.16 1.56 1.73 1.94 1.36 2.32 1.85
EM64TCi7 4.000GHz
1 cpu
64000MB 4000.0GB
(rhenium )
Fedora 17 ifort 11 mkl-10.1 CPU 1.70 1.52 1.68 1.72 1.87 3.49 2.00 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/11)
Wall 1.67 1.82 1.75 1.68 1.27 2.66 1.81
Xeon64 2.930GHz
2 cpus
24000MB 1000.0GB
(xeon )
Fedora 10 ifort 11 mkl-10.1 CPU 4.65 4.34 4.13 4.27 0.89 2.12 3.40 gms09jan xeon 5570 2.93GHz/quad core
Wall 1.92 2.39 1.99 1.81 1.07 1.67 1.81
EM64TCi7 3.000GHz
2 cpus
12000MB 640.0GB
(indiumSMP )
Fedora 11 ifort 11 mkl-10.1 CPU 1.91 1.92 1.73 1.77 0.63 1.01 1.50 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA, clock up to 3GHz.
Wall 1.93 1.93 1.83 1.81 1.16 2.03 1.78
EM64TCi7 2.946GHz
2 cpus
8000MB 1000.0GB
(Al SMP )
Fedora 14 ifort 11 mkl-10.1 CPU 2.41 2.04 1.93 2.18 2.10 3.21 2.31 gms10apr Core i7 875k, 2.94GHz/quad core (DIY), 8GB, sATA (2011/02/08)
Wall 2.36 1.17 1.47 2.11 1.33 2.25 1.78
EM64TCi7 2.945GHz
2 cpus
8000MB 500.0GB
(Ca SMP )
Fedora 11 ifort 11 mkl-10.1 CPU 2.04 1.93 1.81 1.87 0.62 1.00 1.55 gms09aug Core i7 860, 2.80GHz/quad core (DIY), 8GB, sATA, clock up to 2.945GHz.
Wall 2.05 1.65 1.72 1.90 1.17 2.01 1.75
EM64TCi7 3.503GHz
1 cpu
8000MB 1000.0GB
(zinc )
Fedora 15 ifort 11 mkl-10.1 CPU 1.80 1.61 1.75 1.79 1.74 3.21 1.98 gms11jan Core i7 2600k, 3.40(3.50)GHz/quad core (DIY), 8GB, sATA (2011/09/15)
Wall 1.77 1.58 1.66 1.74 1.20 2.35 1.72
EM64TCi7 3.012GHz
2 cpus
12000MB 500.0GB
(lead )
Fedora 12 ifort 11 mkl-10.1 CPU 1.91 1.83 1.74 1.75 0.62 1.03 1.48 gms09aug SMP, Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA, clock-up to 3.0GHz
Wall 1.93 1.52 1.66 1.79 1.16 2.03 1.68
Hardware
(hostname)
Softwaretime RHF
# 1
RHF
# 2
DFT
# 3
DFT
# 4
MP2
# 5
MP2
# 6
Av.GAMESSMemo
EM64TCi7 3.780GHz
1 cpu
64000MB 4000.0GB
(mercury )
Fedora 17 ifort 11 mkl-10.1 CPU 1.55 1.42 1.58 1.59 1.71 3.23 1.85 gms13may Core i7 3820, 3.60GHz/quad core LGA2011, 64GB, sATA*2 (2013/10/17)
Wall 1.51 1.70 1.66 1.55 1.18 2.47 1.68
EM64TCi7 3.012GHz
2 cpus
12000MB 500.0GB
(arsenic )
Fedora 11 ifort 11 mkl-10.1 CPU 1.88 1.84 1.72 1.75 0.61 0.98 1.47 gms09aug SMP, Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA
Wall 1.91 1.61 1.67 1.77 1.13 1.97 1.68
EM64TCi7 3.603GHz
1 cpu
32000MB 4000.0GB
(tellurium )
Fedora 15 ifort 11 mkl-10.1 CPU 1.64 1.49 1.60 1.63 1.59 2.93 1.81 gms11jan Core i7 2700k, 3.50(3.60)GHz/quad core, 32GB, sATA*2 (2012/10/06)
Wall 1.59 1.73 1.66 1.58 1.06 2.22 1.64
Xeon64 2.660GHz
2 cpus
12000MB 1000.0GB
(gpu, SMP )
Fedora 10 ifort 11 mkl-10.1 CPU 1.80 1.75 1.72 1.68 0.79 1.13 1.48 gms09aug xeon 5550 2.67GHz/quad core, single CPU
Wall 1.79 1.94 1.77 1.68 0.92 1.49 1.60
EM64TCi7 3.708GHz
1 cpu
32000MB 4000.0GB
(zirconium )
Fedora 16 ifort 11 mkl-10.1 CPU 1.53 1.42 1.53 1.55 1.52 2.80 1.73 gms11jan Core i7 3820, 3.6GHz/quad core LGA2011, 32GB, sATA*2 (2012/9/17)
Wall 1.51 1.68 1.59 1.51 1.04 2.15 1.58
EM64TCi7 2.800GHz
2 cpus
8000MB 480.0GB
(chromium )
Fedora 12 ifort 11 mkl-10.1 CPU 1.81 1.47 1.73 1.68 0.60 0.94 1.37 gms09aug SMP, Core i7 860, 2.80GHz/quad core (DIY), 8GB, sATA, m1600GHz
Wall 1.79 1.27 1.55 1.69 1.08 1.87 1.54
EM64TCi7 3.600GHz
1 cpu
32000MB 3000.0GB
(osmium )
Fedora 16 ifort 11 mkl-10.1 CPU 1.51 1.37 1.49 1.52 1.48 2.74 1.68 gms11jan Core i7 3820, 3.60GHz/quad core LGA2011, 32GB, sATA (2012/6/14)
Wall 1.48 1.45 1.45 1.47 0.98 2.04 1.48
EM64TCi7 3.000GHz
2 cpus
12000MB 1000.0GB
(platinum )
Fedora 10 ifort 11 mkl-10.1 CPU 1.67 1.13 1.43 1.48 0.59 0.92 1.21 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, IDE+sATA, clock-up to 3GHz
Wall 1.68 1.22 1.51 1.50 1.07 1.69 1.44
EM64TCi7 2.940GHz
1 cpu
8000MB 940.0GB
(antimony )
Fedora 12 ifort 11 mkl-10.1 CPU 1.27 1.14 1.16 1.20 1.28 2.32 1.40 gms11jan Core i7 860, 2.80GHz/quad core (DIY), 16GB (2011/12/1)
Wall 1.25 1.34 1.21 1.17 0.88 1.78 1.27
EM64TCi5 3.333GHz
1 cpu
8000MB 1500.0GB
(manganese )
Fedora 16 ifort 11 mkl-10.1 CPU 1.31 1.12 1.14 1.25 1.29 2.34 1.41 gms11jan Core i5 661, 3.33GHz (DIY), 8GB, sATA
Wall 1.28 1.26 1.19 1.22 0.89 1.77 1.27
Hardware
(hostname)
Softwaretime RHF
# 1
RHF
# 2
DFT
# 3
DFT
# 4
MP2
# 5
MP2
# 6
Av.GAMESSMemo
EM64TCi7 2.860GHz
1 cpu
24000MB 4000.0GB
(Sn SMP )
Fedora 28 ifort XE mkl-XE.3 CPU 1.13 1.07 1.22 1.23 1.31 2.41 1.40 gms18feb Core i7 920, 2.8Hz/quad core (DIY), 24GB, sATA*2 (2018/09/08)
Wall 1.11 1.24 1.24 1.19 0.90 1.84 1.25
EM64TCi7 2.860GHz
1 cpu
24000MB 4000.0GB
(Po SMP )
Fedora 28 ifort XE mkl-XE.3 CPU 1.13 1.06 1.17 1.18 1.25 2.31 1.35 gms18feb Core i7 920, 2.8Hz/quad core (DIY), 24GB, sATA*2 (2018/09/09)
Wall 1.10 1.25 1.21 1.15 0.86 1.76 1.22
EM64TCi7 2.860GHz
1 cpu
24000MB 4000.0GB
(V SMP )
Fedora 28 ifort XE mkl-XE.3 CPU 1.16 1.04 1.17 1.21 1.22 2.27 1.34 gms18feb Core i7 920, 2.8Hz/quad core (DIY), 24GB, sATA*2 (2018/09/08)
Wall 1.13 1.25 1.20 1.17 0.82 1.73 1.22
EM64TCi7 2.860GHz
1 cpu
24000MB 4000.0GB
(Pt SMP )
Fedora 28 ifort XE mkl-XE.3 CPU 1.10 1.02 1.13 1.15 1.23 2.25 1.32 gms18feb Core i7 920, 2.8Hz/quad core (DIY), 24GB, sATA*2 (2018/09/09)
Wall 1.08 1.22 1.18 1.12 0.85 1.72 1.20
EM64TCi7 3.060GHz
1 cpu
24000MB 820.0GB
(iron )
Fedora 14 ifort 11 mkl-10.1 CPU 1.18 1.05 1.05 1.12 1.17 2.10 1.28 gms10apr Core i7 950, 3.06GHz/quad core (DIY), 24GB, sATA*2 (2010/11/09)
Wall 1.16 1.00 1.01 1.09 0.80 1.60 1.11
EM64TCi7 2.946GHz
1 cpu
8000MB 1000.0GB
(aluminum )
Fedora 14 ifort 11 mkl-10.1 CPU 1.27 1.11 1.11 1.21 1.25 2.24 1.37 gms10apr Core i7 875k, 2.94GHz/quad core (DIY), 8GB, sATA (2011/02/08)
Wall 1.24 0.91 1.00 1.16 0.83 1.48 1.10
EM64TCi7 2.945GHz
1 cpu
8000MB 500.0GB
(calcium )
Fedora 11 ifort 11 mkl-10.1 CPU 1.09 1.01 1.02 0.99 1.03 1.08 1.04 gms09aug Core i7 860, 2.80GHz/quad core (DIY), 8GB, sATA, clock up to 2.945GHz.
Wall 1.09 1.07 1.06 0.99 1.02 1.04 1.04
Xeon64 2.930GHz
1 cpu
24000MB 1000.0GB
(xeon )
Fedora 10 ifort 11 mkl-10.1 CPU 2.47 2.36 2.32 2.34 1.84 2.16 2.25 gms09jan xeon 5570 2.93GHz/quad core
Wall 1.00 1.22 1.08 0.97 0.96 1.01 1.04
EM64TCi7 3.000GHz
1 cpu
12000MB 640.0GB
(indium )
Fedora 11 ifort 11 mkl-10.1 CPU 0.98 0.97 0.97 0.94 1.00 1.05 0.99 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA, clock up to 3GHz.
Wall 0.98 1.20 1.06 0.94 0.98 1.02 1.03
EM64TCi7 2.800GHz
1 cpu
8000MB 480.0GB
(chromium )
Fedora 12 ifort 11 mkl-10.1 CPU 1.00 1.00 1.00 1.00 1.00 1.00 1.00 gms09aug Core i7 860, 2.80GHz/quad core (DIY), 8GB, sATA, m1600GHz
Wall 1.00 1.00 1.00 1.00 1.00 1.00 1.00
Hardware
(hostname)
Softwaretime RHF
# 1
RHF
# 2
DFT
# 3
DFT
# 4
MP2
# 5
MP2
# 6
Av.GAMESSMemo
EM64TCi7 3.012GHz
1 cpu
12000MB 500.0GB
(lead )
Fedora 12 ifort 11 mkl-10.1 CPU 0.98 0.98 0.96 0.94 1.01 1.05 0.99 gms09aug Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA, clock-up to 3.0GHz
Wall 0.98 1.03 0.99 0.94 0.98 1.01 0.99
EM64TCi7 3.012GHz
1 cpu
12000MB 500.0GB
(arsenic )
Fedora 11 ifort 11 mkl-10.1 CPU 0.96 0.94 0.99 0.92 0.97 1.04 0.97 gms09aug Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA
Wall 0.96 1.05 1.03 0.92 0.95 1.01 0.99
Xeon64 2.660GHz
1 cpu
12000MB 1000.0GB
(gpu )
Fedora 10 ifort 11 mkl-10.1 CPU 0.92 0.93 0.92 0.89 0.98 1.01 0.94 gms09aug xeon 5550 2.67GHz/quad core, single CPU
Wall 0.92 1.16 1.01 0.88 0.93 0.97 0.98
EM64TCi7 3.000GHz
1 cpu
12000MB 1000.0GB
(platinum )
Fedora 10 ifort 11 mkl-10.1 CPU 0.91 0.92 0.92 0.83 0.93 0.98 0.91 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, IDE+sATA, clock-up to 3GHz
Wall 0.91 1.11 0.99 0.82 0.89 0.95 0.94
EM64TC2D 3.166GHz
1 cpu
10000MB 640.0GB
(strontium )
Fedora 8 ifort 10 mkl-9.1 CPU 0.86 0.89 0.92 0.81 1.22 1.12 0.97 gms09jan Core2Duo 3.166GHz/dual core (DIY), 10GB, IDE+sATA
Wall 0.85 0.86 0.88 0.79 0.85 0.86 0.85
EM64TC2D 3.166GHz
1 cpu
10000MB 520.0GB
(molybdenum)
Fedora 12 ifort 11 mkl-10.1 CPU 0.90 0.92 0.94 0.83 1.02 1.02 0.94 gms09aug Core2Duo 3.166GHz/dual core (DIY), 10GB, sATA+IDE
Wall 0.89 0.67 0.80 0.81 0.82 0.86 0.81
Xeon64 3.000GHz
1 cpu
8000MB 0.0GB
(HPC-tech )
RHL4(64) ifort 9.1 mkl-8.1 CPU 0.81 0.73 0.61 0.67 1.07 1.03 0.82 gms06? Xeon 5160 Woodcrest 3GHz/4MBcache, 2cpu/4core
Wall 0.80 0.82 0.60 0.65 0.75 0.76 0.73
Pentium 4 3.400GHz
1 cpu
2024MB 200.0GB
(bromine )
Fedora 7 ifort 9.1 mkl-9.0 CPU 0.36 0.37 0.15 0.20 0.38 0.32 0.30 gms07jul Pentium 4/3.4GHz with a serial ATA disk, ifort 10 gives wrong answers.
Wall 0.36 0.14 0.10 0.19 0.27 0.24 0.22


Details of benchmark jobs ---
  1. RHF (direct) , memory = 12 Mbytes, Disk space = 6.3 MB.
    6-31G(d) , 288 orbitals, 1 configurations,
    Reference CPU/wall time = 334.1, 330.0 [sec]

  2. RHF (conventional) , memory = 12 Mbytes, Disk space =7142.0 MB.
    6-31G(d) , 288 orbitals, 1 configurations,
    Reference CPU/wall time = 170.0, 208.0 [sec]

  3. DFT (conventional) , memory = 26 Mbytes, Disk space =4500.0 MB.
    6-31G(d) , 512 orbitals, 1 configurations,
    Reference CPU/wall time = 365.2, 386.0 [sec]

  4. DFT (direct) , memory = 27 Mbytes, Disk space = 20.0 MB.
    6-31G(d) , 512 orbitals, 1 configurations,
    Reference CPU/wall time = 524.7, 513.0 [sec]

  5. MP2(a) (ap) , memory = 371 Mbytes, Disk space =2500.0 MB.
    6-31G(d,p), 200 orbitals, 1 configurations,
    Reference CPU/wall time = 278.5, 195.0 [sec]

  6. MP2(b) (bp) , memory = 804 Mbytes, Disk space =9300.0 MB.
    6-31G(d,p), 310 orbitals, 1 configurations,
    Reference CPU/wall time = 2698.9, 2076.0 [sec]


Also see the following pages:
Edited by Shiro Koseki, Dr. Sci..