Re: [lammps-users] Cuda driver error while running lammps

please try with the 14 May 2021 version. that resolves most of the issues with CUDA since version 2 Feb 2021.

this seems to be due to a missing check in the GPU accelerated lj/cut/tip4p/long pair style.
when adding the gpu suffix the “newton pair” setting is changed from “on” to “off” as is required by all GPU pair styles.
however, then you change it back to on (because airebo requires it). at that point the lj/cut/tip4p/long/gpu pair style should throw an error.
this will be remedied in a future LAMMPS patch.

bottom line. this input cannot be run on the GPU unless that are changes to either enable use of newton pair off with airebo or newton pair on with GPU pair styles.
perhaps you can use pair style tersoff instead of airebo. that would have the benefit of also being GPU accelerated, which the (rather slow) airebo pair style is not.