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Research Clusters

Summary of the parameters of clusters
PARAMETERS ARWENA+ARAGORN EOWINA GIMLI CHRABĄSZCZ
PICTURE
FLOPS 300 GFlops 768 GFlops 800 GFlops 4.44 TFlops
PROCESSORS 24*AMD Athlon 2GHz 128*Intel Itanium2 1.5GHz 4*Intel Xeon E5310 1.6GHz
2*Intel Xeon X3360 2.8GHz
8*Intel Xeon E5520 2.3GHz
8*Intel Xeon X5650 2.7GHz
20*Intel Xeon X3330 2.7GHz
94*Intel Xeon E5420-E5645
MEMORY 42 GB RAM 256 GB RAM 564 GB RAM 1.24 TB RAM
DISC 3 TB HDD 3.5 TB HDD 17 TB HDD 64 TB HDD
NETWORK Gigabit Ethernet NUMAlink Modules InfiniBand Gigabit Ethernet
OPERATING SYSTEMS Rocks 4.2.1 SUSE Linux Enterprise Server Red Hat Linux 9 OpenSuSE 11.0-11.4
CUDA COMPUT. NODES ... ... ... 2x GTX295
2x GTX460
2x GTX680
1x GTX1080
QUEUE SYSTEMS PBS Torque PBS LSF SunGrid_Engine-6.2
BUILD 2006 2005-2006 (2013) 2009-2011 2009-2018
OUT OF SERVICE 2014 --- --- ---



The list of scientific software installed on the research clusters

  • ADF Amsterdam Density Functional.
  • CPMD Car-Parrinello Molecular Dynamics.
  • CP2K To perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems.
  • CRYSTAL A computational tool for solid state chemistry and physics.
  • GAUSSIAN Gaussian 09 is the latest in the Gaussian series of programs. It provides state-of-the-art capabilities for electronic structure modeling.
  • GAMESS The General Atomic and Molecular Electronic Structure System.
  • JAGUAR Rapid ab initio electronic structure package.
  • OCTOPUS Density Functional Theory for ground-state calculations.Time-dependent DFT for response.
  • ORCA An ab initio, DFT and semiempirical SCF-MO package.
  • SAPT Symmetry-Adapted Perturbation Theory.
  • SIESTA A linear-scaling density-functional method.
  • VB2000 Ab initio electronic structure package for performing modern Valence Bond (VB) calculations based on a highly efficient VB algorithm.