Prerequisites

In order to run HyperNOMAD correctly, please make sure to have:

  • Python > 3.6
  • PyTorch.
  • GCC > 3.8
  • A compiled version of NOMAD.

Check that the requirements are fullfiled

Here are simple tests to check that everything is set correctly before installing HyperNOMAD.

Pytorch

In order to test that Pytorch is correctly installed try the following command

python
>>> import torch

NOMAD

Try running the following command

nomad -info

For more help on the installation of NOMAD, please refer to the user_guide.