Software
From C3P
Revision as of 00:09, 12 December 2017 by Mirco.zerbetto (Talk | contribs)
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
- Terachem on Curie (specifically, curie11; GPU-based)
- Comsol on Avogadro, Gibbs (soon will be available on Curie with GPU acceleration)
- Quantum Espresso on ????????????????????????
- Gamess on Avogadro, Gibbs
- Orca on Avogadro, Gibbs
