RuntimeError: CUDA error: device-side assert triggered about pair_allegro

[Linux-cpp-lisp]

Hi @gvishwak-ornl ,

Thanks for your interest in our code!

Do you happen to have the rest of the traceback log with the assert messages themselves? I assume they were the index out of range errors?

You are running in LAMMPS, correct? Which branch of pair_allegro, and are you doing anything unusual in your simulation setup?

[gvishwak-ornl]

Hi,
I have updated my original comment to include the complete log as well as the LAMMPS input script. You are right, they are the index out of bounds errors.
I used the main branch of pair_allegro to patch LAMMPS, and as you can see from the script, the simulation setup is quite standard. I was initially using pair_nequip for this, but I was getting out of memory errors with that.