Anders Hafreager
Anders Hafreager
Ok, I can start thinking about implementing this. I remember a technique where you don't get troubles when adding small quantities to a large cumulative sum.
Ahh perfect! So am I understanding correctly if you have an old implementation in fix_ave_time which is not in the current version? Edit: yeah this is the one I was...
@rjones-sandia could you send me the code you mentioned directly on email? Github ignores attachments when replying to issues through emails. My email is [email protected].
No updates. I haven't gotten any reply from @rjones-sandia yet and I don't want to reimplement it since most of it is already done.
@rjones-sandia ping?
@sjplimp, @stanmoore1, @athomps could you ask @rjones-sandia about this?
Nope I have not! I haven't seen that keyword before. I'll give it a try.
neigh/qeq half: Modify | 23.052 | 23.055 | 23.06 | 0.1 | 47.46 neigh/qeq full: Modify | 7.7755 | 7.7792 | 7.7828 | 0.1 | 23.37 Wow! (4xGTX Titan, 872000...
Ahh ok. The initial results (qeq being 75% of simulation time) were done on 8xP100 with compute capability 6.0. I'll have that machine in my office within 2 weeks, so...
@stanmoore1, I get the same behaviour with just 1 thread KOKKOS, and also with vanilla LAMMPS. Another problem with vanilla LAMMPS `user-reaxc` is that it doesn't handle adding and removing...