TIP4P GPU kernel: shared memory optimization #1876
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Summary
This is a small update of pair style
lj/cut/tip4p/long/gpu(#1776) for better performance.Author(s)
Vsevolod Nikolskiy (thevsevak@gmail.com, @Vsevak)
International Laboratory for Supercomputer Atomistic Modelling and Multi-scale Analysis
HSE University, Moscow, Russia
Licensing
By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).
Backward Compatibility
The pull request keeps the backward compatibility.
Implementation Notes
I have implemented
_fastkernel, that loads atom types data in the GPU shared memory. The fast kernel is invoked if the data fit in the shared memory. This approach is widely used among the pair styles of the GPU package.Post Submission Checklist