Computing facility

  • Computing cluster "Quantum" with 42 computing nodes (dual Intel Xeon Gold 5218, E5-2680 v4 etc. CPUs, 64~256 GB RAM, Ethernet & Infiniband connection, 168 TB storage space);
  • Computing cluster "Dirac" with 50 computing nodes (dual Intel Xeon Gold 5218, Gold 6226R, E5-2680 v4 etc. CPUs, including 4 (Nvidia v100, T4) GPU nodes, 64~256 GB RAM, 128 TB storage space)
                          
 
 
 
Software
  • ADF
  • ChemShell
  • CRYSTAL 14/17
  • Dalton
  • Gamess
  • Gaussian 03/09/16
  • Gromacs
  • MatDcal
  • Molcus
  • Molden
  • Molpro
  • MOMAP
  • MOPAC
  • NWChem
  • Q-Chem
  • Siesta
  • Tinker
  • Transiesta-C
  • Turbomole
  • VASP
  • ...