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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 | |
| Gromacs | Yes | |
| LAMMPS | Yes | |
| NAMD | Yes | |
| NekRS | Yes | |
| PyTorch | Yes | |
| ROMS | No | |
| Tensorflow | Yes |
Table 1. List of popular applications
Module names of AMD GPU applications end with the postfix amd-gfx90a. The most accurate list is given by the module command:
$ module avail gfx90a
| Note | ||
|---|---|---|
| ||
Tensorflow is available as container at the following location,
but no module has been created for it yet. |
Supported Numerical Libraries
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