Running ADP potentials on GPU

Dear LAMMPS users

We have been studying Al-Cu alloys for a while now, using ADP potentials, but we would like to take advantage of the GPU implentation of LAMMPS. Unfortunately, there is no GPU version this type of interatomic potentials. From what I can understand, we need to add somehow the angular-dependent terms to the existing terms of an eam. Has anybody done this before, or knows how to do it? Any advice or help would be much appreciated.

Thanks for your time.

Regards
Ioannis Papadimitriou

Dear LAMMPS users

We have been studying Al-Cu alloys for a while now, using ADP potentials,
but we would like to take advantage of the GPU implentation of LAMMPS.
Unfortunately, there is no GPU version this type of interatomic potentials.
From what I can understand, we need to add somehow the angular-dependent
terms to the existing terms of an eam. Has anybody done this before, or
knows how to do it? Any advice or help would be much appreciated.

‚Äčthere is a very limited number of contributors to the GPU package. since
nobody has responded, i would assume, that nobody is interested. the way to
proceed with an implementation is usually to take the files for the style
that is the closest match with the new pair style to implement on the GPU
and then do a 3-way compare between the existing CPU versions and the GPU
version and then try to figure out the changes required to convert your
"template" to implementing the ADP style. if you are lucky, very little
expertise of GPU computing is going to be required, but mostly common sense
and the ability to read and understand source code written by others.

axel.‚Äč