Hello All,
I am wondering whether there are any updates regarding the above subject that are not updated on LAMMPS website. Is it possible to use multiple processors per replica for neb ?
Thanks,
Alankar
Hello All,
I am wondering whether there are any updates regarding the above subject that are not updated on LAMMPS website. Is it possible to use multiple processors per replica for neb ?
Thanks,
Alankar
no - it's something we know how to extend the NEB implementation for,
we just haven't been motivated to do it - do you have a large
enough system that you want to use more procs in that manner?
Steve