This list contains a sub section of application supported via gateways linked to Airavata. We can help you to run these in your own gateway.
| Application | Availability |
|---|---|
| Abaqus | Comet |
| Abaqus-6.13-3 | Comet |
| Abinit | BigRed, Bridges, Comet |
| Amber_Sander | BigRed, Comet, Stampede |
| AutoDock | BigRed, Karst |
| AutoDock_Vina | Comet, Stampede |
| CP2K | Comet, Stampede |
| CPMD | Comet |
| DDSCat | Comet |
| DFTB+ | Stampede |
| Gamess | BigRed, Comet, Gordon, Stampede |
| Gaussian | BigRed. Bridges, Comet, Gordon |
| Gaussian16 | Bridges |
| Gromacs | BigRed, Bridges, Comet, Stampede |
| Lammps | BigRed, Comet, Gordon, Stampede |
| Molcas | Stampede KNL, Stampede |
| NEK5000 | BigRed |
| NWChem | Comet, Stampede |
| Phasta_P | Stampede |
| PSI4.0 | Comet |
| QChem | Comet |
| Quantum_Espresso | Comet, Bridges, JetStream, Stampede |
| Tinker_Monte | Stampede |
| Trinity | Karst |
| WRF | Stampede |
Inputs for all applications currently available in Airavata can be found Here!
For sample configurations please refer Admin Tutorials