Software
(Difference between revisions)
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* '''DL_POLY''' on ???????????????????? | * '''DL_POLY''' on ???????????????????? | ||
* '''Amber''' on [[Avogadro]], [[Gibbs]] | * '''Amber''' on [[Avogadro]], [[Gibbs]] | ||
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* '''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 ???????????????????????? | ||
* '''Gamess''' on [[Avogadro]], [[Gibbs]] | * '''Gamess''' on [[Avogadro]], [[Gibbs]] | ||
* '''Orca''' on [[Avogadro]], [[Gibbs]] | * '''Orca''' on [[Avogadro]], [[Gibbs]] | ||
Revision as of 01:24, 5 March 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
- ADF on Avogadro, Gibbs, Dalton, Curie (GPU-accelerated)
- LAMMPS on Curie (GPU-Accelerated)
- Gromacs on Avogadro, Gibbs, Curie (GPU-accelerated)
- DL_POLY on ????????????????????
- Amber on Avogadro, Gibbs
- Comsol on Avogadro, Gibbs (soon will be available on Curie with GPU acceleration)
- Quantum Espresso on ????????????????????????
- Gamess on Avogadro, Gibbs
- Orca on Avogadro, Gibbs
