...
Several scientific applications are already able to offload computations to the MI250X, many others are in the process of being ported to AMD GPUs. Here is a list of the main ones and their current status.
| Name | AMD GPU Acceleration | Module on Setonix |
|---|---|---|
| Amber | Yes | Yes |
| Gromacs | Yes | Yes |
| LAMMPS | Yes | Yes |
| NAMD | Yes | |
| NekRS | Yes | |
| PyTorch | Yes |
| Yes* | ||
| ROMS | No | |
| Tensorflow | Yes | Yes* |
Table 1. List of popular applications applications. * indicates module is a container as module.
Module names of AMD GPU applications end with the postfix amd-gfx90a. The most accurate list is given by the module command:
...