Open ax3l opened 10 years ago
:warning: reduce over r's is pretty unstable.
possible solution: super-cell wise -> GPU wise -> global (a fake cascade/tree or pairwise summation) alternatively/in addition: Kahan Summation, thx @psychocoderHPC
Also: Narumi correction
(HPC Asia, ~2009) - originally designed for MD codes (hard to find conference paper).
(mentioned by Scott LeGrand (Amazon; AMBER) in GTC15 during S5478 - I Can't Believe It's Not Just Molecular Dynamics (It's Machine Learning Too)
- btw, great talk)
Calculate the center of mass for each species (3D vector) and its momentum (an other 3D vector).
Quite interesting for mass limited targets.