| PARAMETERS | ARWENA+ARAGORN | EOWINA | GIMLI |
| PICTURE |  |
 |
 |
| FLOPS | 300 GFlops | 768 GFlops | 800 GFlops |
| 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 |
| MEMORY | 42 GB RAM | 256 GB RAM | 564 GB RAM |
| DISC | 3 TB HDD | 3.5 TB HDD | 17 TB HDD |
| NETWORK | Gigabit Ethernet | NUMAlink Modules | InfiniBand |
| OPERATING SYSTEMS | Rocks 4.2.1 | SUSE Linux Enterprise Server | Red Hat Linux 9 |
| CUDA COMPUT. NODES | ... | ... | ... |
| QUEUE SYSTEMS | PBS | Torque PBS | LSF |
| BUILD | 2006 | 2005-2006 (2013) | 2009-2011 |
| 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.
