Below is a list of the hard- and software we use to achieve the results in our research:

Hardware

• Minerva-Cluster 

1 File-/Loginserver  Xeon E-2226G X4 3.4 GHz

Backupserver: Xeon E5-2620v3 X6 2.4 GHz

Nodes: 12 x Dual-Xeon E5-2640v3 X8 2.6 GHz

4 x Dual-Xeon 5115 X10 2.4 GHz

4 x Dual-Xeon 5215 X10 2.5 GHz

(maintained by Reuti <reuti@staff.uni-marburg.de>

Software

• Programs for Computational Quantum Chemistry

  • ADF
    http://www.scm.com
  • Gaussian
    http://www.gaussian.com
  • ORCA
    http://www.cec.mpg.de/forum/portal.php
  • Turbomole
    http://www.cosmologic.de/QuantumChemistry/main_qChemistry.html

• Queuingsystem for batchprocessing in the cluster

  • Son of GridEngine (SGE) 6.2u5
    https://arc.liv.ac.uk/trac/SGE/