Paul,
I think right now only lj pair style is GPU compatible. What has to be done to make pair_styles like AIREBO, Tersoff to be GPU compatible and run them in parallel GPU nodes ?
Thanks
Ajit
Paul,
I think right now only lj pair style is GPU compatible. What
has to be done to make pair_styles like AIREBO, Tersoff to be GPU
compatible and run them in parallel GPU nodes ?
nothing. several people (including me) have voiced interest
to implement one of these at some point in time. problem is
to find the time and a project (of your own) that urgently needs
it and thus justifies the effort. there is always something else...
many body potentials should benefit from GPUs more than
plain LJ, but they are also harder to program, particularly
AIREBO. have a look at the CPU version of the code and
compare it to the compute() method in pair_lj_cut.cpp. 
the general idea is to first sort out how to do GPU acceleration
efficiently with a hard but algorithmically difficult problem and
then apply the experience to the more complex modules of the code.
feel free to install CUDA yourself and start hacking.
cheers,
axel.