Install a GPU version of DeepMD and LAMMPS

[achyuttt]

Hello everyone,

I had a question about using the DeepMD potential in LAMMPS. I tried to compile the DeepMD from scratch but CPU version was installed. It couldn't utilize the GPU during training. Also, can I use both GPU an CPU for the potential made using DeepMD?

I want to install a GPU version of DeepMD for training and use both GPU + CPU while performing the MD in LAMMPS.

What would be the best workflow for this purpose?

I look forward to hearing from anyone soon

Thank you!