Software
(Difference between revisions)
| Line 3: | Line 3: | ||
* '''Gaussian 03''' on [[Avogadro]], [[Gibbs]] | * '''Gaussian 03''' on [[Avogadro]], [[Gibbs]] | ||
* '''Gaussian 09''' on [[Avogadro]], [[Gibbs]] | * '''Gaussian 09''' on [[Avogadro]], [[Gibbs]] | ||
| − | * '''Gaussian 16''' on | + | * '''Gaussian 16''' on [[Gibbs]] |
* '''ADF''' on [[Avogadro]], [[Gibbs]], [[Dalton]], [[Curie]] (GPU-accelerated) | * '''ADF''' on [[Avogadro]], [[Gibbs]], [[Dalton]], [[Curie]] (GPU-accelerated) | ||
* '''LAMMPS''' on Curie (GPU-Accelerated) | * '''LAMMPS''' on Curie (GPU-Accelerated) | ||
Revision as of 08:53, 27 April 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
