Computational Resources of the Biophysics Group

 

 

Hardware

 

Linux clusters

 

Nodes

No of Nodes

CPUs model

CPUs/node

Cores/CPU

Total Cores

1 - 8

8

3.06 GHz Intel Xeon

2

1

16

9 - 16

8

3.20 GHz Intel Xeon

2

1

16

17 - 28

12

3.40 GHz Intel Xeon

2

1

24

29 - 32

4

E8400 3.0 GHz Intel Core Duo

1

2

8

33, 34

2

X5450 3.0 GHZ Intel Xeon

2

4

16

35 - 38

4

X5472 3.0 GHZ Intel Xeon

1

4

16

39 - 46

8

E5520 2.27 GHZ Intel Xeon

2

4

64

47 - 60

14

E5620 2.40 GHZ Intel Xeon

2

4

112

61, 62

2

E5645 2.40 GHz Intel Xeon

2

6

24

 

 

 

 

Workstations/PCs

 

Workstations and PC's running Linux

 

 

 

Software 

 

Molecular mechanics/dynamics, Monte Carlo and electrostatics

CHARMM

AMBER

NAMD, VMD

INSIGHT (linux version)

BOSS 4.2

UHBD 5.1

 

 

Quantum mechanics / electronic structure

Gaussian 98/03