Software
(Difference between revisions)
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* '''Gaussian 03''' on [[Avogadro]], [[Gibbs]] | * '''Gaussian 03''' on [[Avogadro]], [[Gibbs]] | ||
* '''Gaussian 09''' on [[Avogadro]], [[Gibbs]] | * '''Gaussian 09''' on [[Avogadro]], [[Gibbs]] | ||
| + | * '''Gaussian 16''' on [[Avogadro]], [[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) | ||
* '''Gromacs''' on [[Avogadro]], [[Gibbs]], [[Curie]] (GPU-accelerated) | * '''Gromacs''' on [[Avogadro]], [[Gibbs]], [[Curie]] (GPU-accelerated) | ||
| − | * '''DL_POLY''' | + | * '''DL_POLY''' |
* '''Amber''' on [[Avogadro]], [[Gibbs]] | * '''Amber''' on [[Avogadro]], [[Gibbs]] | ||
* '''Comsol''' on [[Avogadro]], [[Gibbs]] (soon will be available on [[Curie]] with GPU acceleration) | * '''Comsol''' on [[Avogadro]], [[Gibbs]] (soon will be available on [[Curie]] with GPU acceleration) | ||
| − | * '''Quantum Espresso''' on | + | * '''Quantum Espresso''' on [[Dalton]] |
| − | * '''Gamess''' on [[Avogadro]], [[Gibbs]] | + | * '''Gamess''' on [[Avogadro]], [[Gibbs]] (soon will be available in all the clusters) |
* '''Orca''' on [[Avogadro]], [[Gibbs]] | * '''Orca''' on [[Avogadro]], [[Gibbs]] | ||
Revision as of 19:46, 8 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 Avogadro, 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
