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Hardware

Cluster 1:

Nodes

Cores

Type

Freq. (GHz)

RAM (GB)

HD (TB)

10

8

Intel Xeon X5460

3.167

32

1

3

8

Intel Xeon E5530

2.4

48

5

1

8

Intel Xeon E5640

2.67

32

2

1

16

Intel Xeon E5-2670

2.6

64

2.5

29

12

Intel Xeon X5650

2.67

48

3.2

6

12

Intel Xeon X5650

2.67

98

3.2

2

32

Intel Xeon E5-4640

2.4

512

14.2

 

Cluster 2:

Nodes

Cores

Type

Freq. (GHz)

RAM (GB)

HD (TB)

10

16

Intel Xeon E5-2687W

3.4

256

26

 

Software

Quantenchemische Programme

  • ACES II (Universität Mainz)
  • CFOUR (Universität Mainz) 
  • DALTON (Universität Olso)
  • DFTB (Bremen Center of Computational Materials Sciene)
  • Dirac08 (University of Southern Denmark) 
  • DIRCCR12 (Integral-direct explicitly-correlated coupled-cluster program)
  • MOLPRO (University College Cardiff Consultants Ltd)
  • MRCC (TU Budapest)
  • SORE (Integral-direct explicitly-correlated second-order Møller-Plesset perturbation theory program)
  • TURBOMOLE (Universität Karlsruhe)
  • VASP (Universität Wien)