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 MCSCF-based methods

Hardware
(hostname)
Softwaretime MCSCF
# 7
MCSCF
# 8
MCSCF
# 9
MCSCF
#10
MRMP2
#11
MRMP2
#12
Av.GAMESSMemo
EM64TCi7 4.125GHz
4 cpus
64000MB 4000.0GB
(Ir SMP )
Fedora 20 ifort 11 mkl-10.1 CPU 3.51 8.87 4.03 8.08 9.58 5.99 6.68 gms13may Core i7 5820, 3.3Hz/quad core (DIY), 64GB, sATA*2 (2014/10/**)
Wall 2.61 5.15 3.09 4.92 3.63 3.04 3.74
EM64TCi7 4.000GHz
4 cpus
64000MB 4000.0GB
(Re SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 3.97 8.29 3.79 7.89 9.05 5.66 6.44 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/18)
Wall 2.71 4.61 2.85 5.02 3.53 2.87 3.60
EM64TCi7 3.780GHz
4 cpus
64000MB 4000.0GB
(Hg SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 3.67 7.73 3.55 7.45 7.20 5.10 5.78 gms13may Core i7 3820, 3.60GHz/quad core LGA2011, 64GB, sATA*2 (2013/10/17)
Wall 2.68 4.45 2.80 4.92 2.68 2.52 3.35
EM64TCi7 4.000GHz
5 cpus
64000MB 4000.0GB
(Re SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 3.97 8.57 3.59 7.75 8.99 6.82 6.62 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/18)
Wall 2.22 4.45 2.36 4.71 3.17 2.62 3.26
EM64TCi7 4.000GHz
3 cpus
64000MB 4000.0GB
(Re SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 3.50 6.60 3.45 6.61 7.51 4.57 5.37 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/18)
Wall 2.85 3.84 2.94 4.47 2.98 2.34 3.24
EM64TCi7 3.708GHz
4 cpus
32000MB 4000.0GB
(Zr SMP )
Fedora 16 ifort 11 mkl-10.1 CPU 3.68 7.10 3.45 6.97 7.21 5.03 5.57 gms11jan Core i7 3820, 3.6GHz/quad core LGA2011, 32GB, sATA*2 (2012/9/17)
Wall 2.46 4.02 2.46 4.60 2.63 2.43 3.10
EM64TCi7 3.780GHz
3 cpus
64000MB 4000.0GB
(Hg SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 3.21 6.23 3.26 6.28 5.88 4.06 4.82 gms13may Core i7 3820, 3.60GHz/quad core LGA2011, 64GB, sATA*2 (2013/10/17)
Wall 2.74 3.66 2.85 4.22 2.19 2.04 2.95
EM64TCi7 3.708GHz
3 cpus
32000MB 4000.0GB
(Zr SMP )
Fedora 16 ifort 11 mkl-10.1 CPU 3.22 5.81 3.23 5.93 5.93 4.09 4.70 gms11jan Core i7 3820, 3.6GHz/quad core LGA2011, 32GB, sATA*2 (2012/9/17)
Wall 2.56 3.33 2.68 3.96 2.17 1.98 2.78
EM64TCi7 4.125GHz
2 cpus
64000MB 4000.0GB
(Ir SMP )
Fedora 20 ifort 11 mkl-10.1 CPU 2.80 4.94 2.99 5.24 5.57 3.41 4.16 gms13may Core i7 5820, 3.3Hz/quad core (DIY), 64GB, sATA*2 (2014/10/**)
Wall 2.66 2.99 2.74 3.68 2.23 1.73 2.67
EM64TCi7 4.000GHz
2 cpus
64000MB 4000.0GB
(Re SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 2.70 4.66 2.79 4.93 5.42 3.29 3.96 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/18)
Wall 2.49 2.75 2.64 3.44 2.17 1.68 2.53
Hardware
(hostname)
Softwaretime MCSCF
# 7
MCSCF
# 8
MCSCF
# 9
MCSCF
#10
MRMP2
#11
MRMP2
#12
Av.GAMESSMemo
EM64TCi7 3.780GHz
2 cpus
64000MB 4000.0GB
(Hg SMP )
Fedora 17 ifort 11 mkl-10.1 CPU 2.51 4.41 2.65 4.68 4.23 2.90 3.56 gms13may Core i7 3820, 3.60GHz/quad core LGA2011, 64GB, sATA*2 (2013/10/17)
Wall 2.46 2.69 2.44 3.22 1.66 1.48 2.33
EM64TCi7 3.603GHz
2 cpus
32000MB 4000.0GB
(Te SMP )
Fedora 15 ifort 11 mkl-10.1 CPU 2.56 4.22 2.68 4.51 4.89 2.94 3.63 gms11jan Core i7 2700k, 3.50(3.60)GHz/quad core, 32GB, sATA*2 (2012/10/06)
Wall 2.32 2.36 2.38 3.07 1.89 1.45 2.24
EM64TCi7 3.708GHz
2 cpus
32000MB 4000.0GB
(Zr SMP )
Fedora 16 ifort 11 mkl-10.1 CPU 2.52 4.12 2.64 4.46 3.84 2.70 3.38 gms11jan Core i7 3820, 3.6GHz/quad core LGA2011, 32GB, sATA*2 (2012/9/17)
Wall 2.44 2.44 2.51 3.04 1.51 1.34 2.21
EM64TCi7 3.503GHz
2 cpus
8000MB 1000.0GB
(zincSMP )
Fedora 15 ifort 11 mkl-10.1 CPU 2.51 4.48 2.67 4.52 5.46 3.25 3.82 gms11jan Core i7 2600k, 3.40(3.50)GHz/quad core (DIY), 8GB, sATA (2011/09/15)
Wall 0.43 2.33 0.49 2.93 2.19 1.63 1.67
EM64TCi7 4.500GHz
1 cpu
64000MB 4000.0GB
(thallium )
Fedora 17 ifort 11 mkl-10.1 CPU 1.81 2.28 2.05 2.61 3.19 2.00 2.32 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/09/27)
Wall 1.94 1.39 2.04 1.83 1.36 1.04 1.60
EM64TCi7 3.000GHz
2 cpus
12000MB 640.0GB
(indiumSMP )
Fedora 11 ifort 11 mkl-10.1 CPU 1.64 1.12 1.44 1.24 1.86 1.34 1.44 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA, clock up to 3GHz.
Wall 1.58 1.36 1.48 1.66 1.72 1.46 1.54
EM64TCi7 2.960GHz
2 cpus
12000MB 2500.0GB
(polonium )
Fedora 20 ifort 11 mkl-10.1 CPU 1.72 2.92 1.13 2.93 3.49 2.38 2.43 gms13may Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA*2, clock-up to 2.96
Wall 1.57 1.80 1.07 2.10 1.37 1.22 1.52
EM64TCi7 4.000GHz
1 cpu
64000MB 4000.0GB
(rhenium )
Fedora 17 ifort 11 mkl-10.1 CPU 1.62 2.06 1.82 2.36 2.83 1.80 2.08 gms13may Core i7 4820, 3.7Hz/quad core (DIY), 64GB, sATA*2 (2013/10/11)
Wall 1.73 1.26 1.82 1.66 1.21 0.93 1.44
EM64TCi7 3.503GHz
1 cpu
8000MB 1000.0GB
(zinc )
Fedora 15 ifort 11 mkl-10.1 CPU 1.74 2.20 1.94 2.42 2.88 1.85 2.17 gms11jan Core i7 2600k, 3.40(3.50)GHz/quad core (DIY), 8GB, sATA (2011/09/15)
Wall 1.74 1.31 1.77 1.49 1.25 0.95 1.42
EM64TCi7 3.012GHz
2 cpus
12000MB 500.0GB
(lead )
Fedora 12 ifort 11 mkl-10.1 CPU 1.64 1.13 1.38 1.24 1.80 1.30 1.41 gms09aug SMP, Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA, clock-up to 3.0GHz
Wall 1.22 1.37 1.10 1.66 1.69 1.43 1.41
Hardware
(hostname)
Softwaretime MCSCF
# 7
MCSCF
# 8
MCSCF
# 9
MCSCF
#10
MRMP2
#11
MRMP2
#12
Av.GAMESSMemo
EM64TCi7 3.603GHz
1 cpu
32000MB 4000.0GB
(tellurium )
Fedora 15 ifort 11 mkl-10.1 CPU 1.59 2.01 1.79 2.31 2.63 1.69 2.00 gms11jan Core i7 2700k, 3.50(3.60)GHz/quad core, 32GB, sATA*2 (2012/10/06)
Wall 1.67 1.23 1.76 1.63 1.14 0.87 1.38
EM64TCi7 3.012GHz
2 cpus
12000MB 500.0GB
(arsenic )
Fedora 11 ifort 11 mkl-10.1 CPU 1.60 1.08 1.34 1.21 1.73 1.14 1.35 gms09aug SMP, Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA
Wall 1.25 1.32 1.14 1.61 1.59 1.37 1.38
Xeon64 2.930GHz
2 cpus
24000MB 1000.0GB
(xeon )
Fedora 10 ifort 11 mkl-10.1 CPU 3.79 1.66 3.25 1.94 3.24 2.04 2.65 gms09jan xeon 5570 2.93GHz/quad core
Wall 1.65 0.72 1.65 0.97 1.93 1.36 1.38
Xeon64 2.660GHz
2 cpus
12000MB 1000.0GB
(gpu, SMP )
Fedora 10 ifort 11 mkl-10.1 CPU 1.54 1.20 1.33 1.34 2.47 1.60 1.58 gms09aug xeon 5550 2.67GHz/quad core, single CPU
Wall 1.52 1.13 1.33 1.40 1.52 1.23 1.36
EM64TCi7 3.780GHz
1 cpu
64000MB 4000.0GB
(mercury )
Fedora 17 ifort 11 mkl-10.1 CPU 1.50 1.99 1.72 2.27 2.51 1.62 1.93 gms13may Core i7 3820, 3.60GHz/quad core LGA2011, 64GB, sATA*2 (2013/10/17)
Wall 1.63 1.22 1.73 1.60 1.08 0.84 1.35
EM64TCi7 3.708GHz
1 cpu
32000MB 4000.0GB
(zirconium )
Fedora 16 ifort 11 mkl-10.1 CPU 1.50 1.90 1.71 2.17 2.51 1.63 1.90 gms11jan Core i7 3820, 3.6GHz/quad core LGA2011, 32GB, sATA*2 (2012/9/17)
Wall 1.60 1.16 1.71 1.53 1.08 0.84 1.32
EM64TCi7 3.000GHz
2 cpus
12000MB 1000.0GB
(platinum )
Fedora 10 ifort 11 mkl-10.1 CPU 1.15 1.05 1.26 1.16 1.64 1.10 1.23 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, IDE+sATA, clock-up to 3GHz
Wall 1.11 1.24 1.26 1.50 1.51 1.29 1.32
Opteron 2.600GHz
16 cpus
12000MB 1000.0GB
(Chisso )
FCore 5 gcc-4.1.1 ACML3.1.0 CPU 1.83 5.09 1.07 3.20 6.62 5.11 3.82 gms06jul Opteron 2.6GHz, dual core
Wall 1.04 1.46 0.85 1.45 1.21 1.71 1.29
EM64TCi7 3.060GHz
2 cpus
24000MB 820.0GB
(iron SMP )
Fedora 14 ifort 11 mkl-10.1 CPU 1.60 2.23 1.56 2.37 3.42 2.31 2.25 gms10apr Core i7 950, 3.06GHz/quad core (DIY), 24GB, sATA*2 (2010/11/09)
Wall 1.04 1.34 1.10 1.61 1.34 1.14 1.26
EM64TCi7 3.333GHz
2 cpus
8000MB 1500.0GB
(manganese )
Fedora 16 ifort 11 mkl-10.1 CPU 1.64 2.91 1.54 2.91 3.52 2.18 2.45 gms11jan SMP, Core i5 661, 3.33GHz (DIY), 8GB, sATA
Wall 0.72 1.65 0.79 1.94 1.35 1.08 1.26
Hardware
(hostname)
Softwaretime MCSCF
# 7
MCSCF
# 8
MCSCF
# 9
MCSCF
#10
MRMP2
#11
MRMP2
#12
Av.GAMESSMemo
EM64TCi7 3.600GHz
1 cpu
32000MB 3000.0GB
(osmium )
Fedora 16 ifort 11 mkl-10.1 CPU 1.48 1.85 1.65 2.11 2.43 1.58 1.85 gms11jan Core i7 3820, 3.60GHz/quad core LGA2011, 32GB, sATA (2012/6/14)
Wall 1.46 1.09 1.50 1.43 1.00 0.80 1.21
Opteron 2.600GHz
8 cpus
12000MB 1000.0GB
(Chisso )
FCore 5 gcc-4.1.1 ACML3.1.0 CPU 1.65 3.15 1.04 2.32 4.46 3.08 2.62 gms06jul Opteron 2.6GHz, dual core
Wall 1.49 0.88 1.01 1.01 1.54 1.19 1.19
EM64TCi7 3.000GHz
1 cpu
12000MB 640.0GB
(indium )
Fedora 11 ifort 11 mkl-10.1 CPU 0.99 1.05 0.97 1.16 1.54 1.06 1.13 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA, clock up to 3GHz.
Wall 1.11 1.08 1.08 1.33 1.25 1.02 1.14
EM64TCi7 2.945GHz
2 cpus
8000MB 500.0GB
(Ca SMP )
Fedora 11 ifort 11 mkl-10.1 CPU 1.12 1.12 1.09 1.24 1.71 1.18 1.24 gms09aug Core i7 860, 2.80GHz/quad core (DIY), 8GB, sATA, clock up to 2.945GHz.
Wall 0.40 1.32 0.43 1.62 1.51 1.42 1.12
EM64TCi7 3.012GHz
1 cpu
12000MB 500.0GB
(lead )
Fedora 12 ifort 11 mkl-10.1 CPU 1.00 1.03 0.97 1.14 1.53 1.03 1.12 gms09aug Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA, clock-up to 3.0GHz
Wall 1.07 1.03 1.03 1.28 1.25 1.00 1.11
EM64TCi7 2.945GHz
1 cpu
8000MB 500.0GB
(calcium )
Fedora 11 ifort 11 mkl-10.1 CPU 1.02 1.02 1.01 1.12 1.51 1.03 1.12 gms09aug Core i7 860, 2.80GHz/quad core (DIY), 8GB, sATA, clock up to 2.945GHz.
Wall 1.08 1.04 1.08 1.15 1.24 1.02 1.10
EM64TCi7 3.000GHz
3 cpus
12000MB 1000.0GB
(platinum )
Fedora 10 ifort 11 mkl-10.1 CPU 1.54 1.43 1.24 1.47 1.90 1.27 1.48 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, IDE+sATA, clock-up to 3GHz
Wall 0.34 1.47 0.40 1.64 1.47 1.25 1.10
EM64TCi7 3.012GHz
1 cpu
12000MB 500.0GB
(arsenic )
Fedora 11 ifort 11 mkl-10.1 CPU 1.00 1.01 0.98 1.11 1.48 1.00 1.10 gms09aug Core i7 920, 2.66GHz/quad core (DIY), 12GB, sATA
Wall 1.09 1.01 1.06 1.26 1.19 0.96 1.09
Xeon64 2.660GHz
1 cpu
12000MB 1000.0GB
(gpu )
Fedora 10 ifort 11 mkl-10.1 CPU 0.90 0.99 0.89 1.09 1.46 1.00 1.06 gms09aug xeon 5550 2.67GHz/quad core, single CPU
Wall 1.01 1.01 0.98 1.24 1.17 0.96 1.06
EM64TCi7 3.000GHz
4 cpus
12000MB 1000.0GB
(platinum )
Fedora 10 ifort 11 mkl-10.1 CPU 1.47 1.68 1.38 1.70 2.60 1.63 1.74 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, IDE+sATA, clock-up to 3GHz
Wall 0.25 1.51 0.30 1.59 1.43 1.24 1.05
Hardware
(hostname)
Softwaretime MCSCF
# 7
MCSCF
# 8
MCSCF
# 9
MCSCF
#10
MRMP2
#11
MRMP2
#12
Av.GAMESSMemo
Xeon64 2.930GHz
1 cpu
24000MB 1000.0GB
(xeon )
Fedora 10 ifort 11 mkl-10.1 CPU 2.28 1.45 2.07 1.64 2.59 1.83 1.98 gms09jan xeon 5570 2.93GHz/quad core
Wall 1.04 0.92 0.99 1.14 1.18 0.94 1.04
EM64TCi7 2.940GHz
1 cpu
8000MB 940.0GB
(antimony )
Fedora 12 ifort 11 mkl-10.1 CPU 1.10 1.43 1.16 1.59 2.08 1.41 1.46 gms11jan Core i7 860, 2.80GHz/quad core (DIY), 16GB (2011/12/1)
Wall 1.22 0.89 1.19 1.14 0.92 0.73 1.02
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
EM64TCi7 3.000GHz
1 cpu
12000MB 1000.0GB
(platinum )
Fedora 10 ifort 11 mkl-10.1 CPU 0.91 0.80 0.89 0.90 1.42 0.95 0.98 gms09jan Core i7 920, 2.66GHz/quad core (DIY), 12GB, IDE+sATA, clock-up to 3GHz
Wall 1.00 0.88 0.96 1.09 1.14 0.92 1.00
EM64TCi7 2.800GHz
3 cpus
8000MB 480.0GB
(chromium )
Fedora 12 ifort 11 mkl-10.1 CPU 1.43 1.37 1.27 1.51 1.80 1.31 1.45 gms09aug SMP, Core i7 860, 2.80GHz/quad core (DIY), 8GB, sATA, m1600GHz
Wall 0.17 1.39 0.21 1.54 1.24 1.27 0.97
EM64TCi7 2.800GHz
2 cpus
8000MB 480.0GB
(chromium )
Fedora 12 ifort 11 mkl-10.1 CPU 1.20 1.00 1.15 1.15 1.62 1.13 1.21 gms09aug SMP, Core i7 860, 2.80GHz/quad core (DIY), 8GB, sATA, m1600GHz
Wall 0.23 1.10 0.29 1.45 1.37 1.35 0.96
EM64TCi5 3.333GHz
1 cpu
8000MB 1500.0GB
(manganese )
Fedora 16 ifort 11 mkl-10.1 CPU 1.11 1.36 1.17 1.47 2.07 1.32 1.42 gms11jan Core i5 661, 3.33GHz (DIY), 8GB, sATA
Wall 1.19 0.83 1.17 1.01 0.89 0.67 0.96
EM64TCi7 2.946GHz
2 cpus
8000MB 1000.0GB
(Al SMP )
Fedora 14 ifort 11 mkl-10.1 CPU 1.38 2.24 1.41 2.43 3.54 2.34 2.22 gms10apr Core i7 875k, 2.94GHz/quad core (DIY), 8GB, sATA (2011/02/08)
Wall 0.21 1.20 0.29 1.53 1.35 1.17 0.96
EM64TCi7 2.860GHz
1 cpu
24000MB 4000.0GB
(Sn SMP )
Fedora 28 ifort XE mkl-XE.3 CPU 0.98 1.34 1.11 1.52 2.08 1.42 1.41 gms18feb Core i7 920, 2.8Hz/quad core (DIY), 24GB, sATA*2 (2018/09/08)
Wall 1.07 0.83 1.11 1.08 0.89 0.73 0.95
EM64TCi7 2.860GHz
1 cpu
24000MB 4000.0GB
(Po SMP )
Fedora 28 ifort XE mkl-XE.3 CPU 0.94 1.29 1.06 1.47 2.00 1.36 1.35 gms18feb Core i7 920, 2.8Hz/quad core (DIY), 24GB, sATA*2 (2018/09/09)
Wall 1.02 0.79 1.06 1.04 0.87 0.70 0.91
Hardware
(hostname)
Softwaretime MCSCF
# 7
MCSCF
# 8
MCSCF
# 9
MCSCF
#10
MRMP2
#11
MRMP2
#12
Av.GAMESSMemo
EM64TCi7 3.060GHz
1 cpu
24000MB 820.0GB
(iron )
Fedora 14 ifort 11 mkl-10.1 CPU 1.05 1.37 1.08 1.52 1.93 1.32 1.38 gms10apr Core i7 950, 3.06GHz/quad core (DIY), 24GB, sATA*2 (2010/11/09)
Wall 1.03 0.84 1.03 1.07 0.80 0.68 0.91
EM64TCi7 2.860GHz
1 cpu
24000MB 4000.0GB
(V SMP )
Fedora 28 ifort XE mkl-XE.3 CPU 0.95 1.29 1.03 1.44 2.02 1.37 1.35 gms18feb Core i7 920, 2.8Hz/quad core (DIY), 24GB, sATA*2 (2018/09/08)
Wall 1.02 0.79 1.02 1.02 0.87 0.71 0.91
EM64TCi7 2.946GHz
1 cpu
8000MB 1000.0GB
(aluminum )
Fedora 14 ifort 11 mkl-10.1 CPU 1.09 1.43 1.13 1.55 2.07 1.39 1.44 gms10apr Core i7 875k, 2.94GHz/quad core (DIY), 8GB, sATA (2011/02/08)
Wall 1.00 0.83 0.96 0.94 0.90 0.72 0.89
EM64TCi7 2.860GHz
1 cpu
24000MB 4000.0GB
(Pt SMP )
Fedora 28 ifort XE mkl-XE.3 CPU 0.91 1.25 1.00 1.40 1.96 1.31 1.31 gms18feb Core i7 920, 2.8Hz/quad core (DIY), 24GB, sATA*2 (2018/09/09)
Wall 0.99 0.77 1.01 1.00 0.85 0.68 0.88
EM64TC2D 3.166GHz
1 cpu
10000MB 640.0GB
(strontium )
Fedora 8 ifort 10 mkl-9.1 CPU 0.89 1.23 0.90 1.33 1.81 1.14 1.22 gms09jan Core2Duo 3.166GHz/dual core (DIY), 10GB, IDE+sATA
Wall 0.91 0.74 0.84 0.92 0.80 0.60 0.80
EM64TC2D 3.166GHz
1 cpu
10000MB 520.0GB
(molybdenum)
Fedora 12 ifort 11 mkl-10.1 CPU 0.88 1.04 0.88 1.14 1.62 1.02 1.10 gms09aug Core2Duo 3.166GHz/dual core (DIY), 10GB, sATA+IDE
Wall 0.75 0.75 0.73 0.92 0.89 0.66 0.79
Xeon64 3.000GHz
1 cpu
8000MB 0.0GB
(HPC-tech )
RHL4(64) ifort 9.1 mkl-8.1 CPU 0.76 0.98 0.73 1.06 1.29 0.76 0.93 gms06? Xeon 5160 Woodcrest 3GHz/4MBcache, 2cpu/4core
Wall 0.85 0.58 0.72 0.69 0.57 0.40 0.63
Pentium 4 3.400GHz
1 cpu
2024MB 200.0GB
(bromine )
Fedora 7 ifort 9.1 mkl-9.0 CPU 0.33 0.25 0.27 0.27 0.66 0.40 0.36 gms07jul Pentium 4/3.4GHz with a serial ATA disk, ifort 10 gives wrong answers.
Wall 0.23 0.12 0.11 0.12 0.20 0.19 0.16


Details of benchmark jobs ---
  1. MCSCF (det,soscf) , memory = 377 Mbytes, Disk space =8600.0 MB.
    6-31G(d) , 282 orbitals, 427088 configurations,
    Reference CPU/wall time = 242.0, 271.0 [sec]

  2. MCSCF (det,NR) , memory = 947 Mbytes, Disk space =6300.0 MB.
    6-31G(d) , 282 orbitals, 427088 configurations,
    Reference CPU/wall time = 848.3, 530.0 [sec]

  3. MCSCF (guga,soscf) , memory = 377 Mbytes, Disk space =4500.0 MB.
    6-31G(d) , 282 orbitals, 113456 configurations,
    Reference CPU/wall time = 348.2, 359.0 [sec]

  4. MCSCF (guga,NR) , memory = 947 Mbytes, Disk space =6000.0 MB.
    6-31G(d) , 282 orbitals, 113456 configurations,
    Reference CPU/wall time = 1070.8, 773.0 [sec]

  5. MRMP2 (a)(ap) , memory = 152 Mbytes, Disk space =5500.0 MB.
    6-31G(d) , 219 orbitals, 600 configurations,
    Reference CPU/wall time = 558.4, 247.0 [sec]

  6. MRMP2 (b)(bp) , memory = 1525 Mbytes, Disk space =4600.0 MB.
    6-31G(d) , 256 orbitals, 4956 configurations,
    Reference CPU/wall time = 788.2, 411.0 [sec]


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