Software
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* '''Gamess''' on [[Avogadro]], [[Gibbs]] (soon will be available in all the clusters) | * '''Gamess''' on [[Avogadro]], [[Gibbs]] (soon will be available in all the clusters) | ||
* '''Orca''' on [[Avogadro]], [[Gibbs]] | * '''Orca''' on [[Avogadro]], [[Gibbs]] | ||
| + | * '''Gauss View 6''' (x86-64 Linux): an iso image of the DVD is present in the ''/local/share/g16'' folder in the [[Avogadro]] cluster. It can be downloaded and installed in a local PC. Gauss View requires Guassian 16 installed. If it is not just present, download the whole ''/local/share/g16'' directory, which contains the pre-compiled Gaussian 16 program. | ||
Revision as of 10:38, 11 July 2018
The following software packages are available:
- Matlab on Gibbs (will be available soon in other clusters)
- Gaussian 03 on Avogadro, Gibbs
- Gaussian 09 on Avogadro, Gibbs
- Gaussian 16 on Gibbs
- ADF on Avogadro, Gibbs, Dalton, Curie (GPU-accelerated)
- LAMMPS on Curie (GPU-Accelerated)
- Gromacs on Avogadro, Gibbs, Curie (GPU-accelerated)
- DL_POLY
- Amber on Avogadro, Gibbs
- Comsol on Avogadro, Gibbs (soon will be available on Curie with GPU acceleration)
- Quantum Espresso on Dalton
- Gamess on Avogadro, Gibbs (soon will be available in all the clusters)
- Orca on Avogadro, Gibbs
- Gauss View 6 (x86-64 Linux): an iso image of the DVD is present in the /local/share/g16 folder in the Avogadro cluster. It can be downloaded and installed in a local PC. Gauss View requires Guassian 16 installed. If it is not just present, download the whole /local/share/g16 directory, which contains the pre-compiled Gaussian 16 program.
