Computer cluster - Adsorption

Instrument: Computer cluster of "Adsorption" group


Location:  Zakład Chemii Teoretycznej, UMCS, Lublin - with remote access


Hardware:
The computational cluster consists of over 800 cores CPU i 2 GPUcores  (NVIDIA CUDA GPU)


Software:
    Quantum-chemical programs: Gaussian 09, Orca, Mopac
    Other:Gromacs, Plumed, lammps  

Contact: prof. dr hab. Tomasz Pańczyk    tel. 81 537 56 20

Access: Access to the compuational cluster is possible after obtaining a cluster account and attending a short training in using the queueing system.