amp model error with kim

OpenKIM
#1

Hello everyone.
I am trying to use amp_parameterized_model but everytime lammps drops.
I get the same error even when using amp.params of a previous topic here https://groups.google.com/forum/#!topic/openkim/5GbUD5yNjQY
I don’t get this error if I use examples kim parameters from the repository.
Does someone have an idea that could help me?
Thanks a lot.
Best regards,
FB

loglammps.txt (2.56 KB)

#2

Dear Florian,

One of my students have been trying to use the amp model. It appears to contain several severe bugs in connection to handling the boundary conditions correctly, it simply does not use the API correctly (it does not calculate the correct partical forces). We are working on fixing it, but got side-tracked. No ETA; sorry.

Best regards

Jakob