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chr1shr / voro

Voro++: a three-dimensional Voronoi cell library in C++
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Does voro support gpu acceleration? #31

Open zhoujingyu13687306871 opened 1 year ago

zhoujingyu13687306871 commented 1 year ago

Dear prof Chris Rycroft：

Thank you very much for developing the voro library. There is a problem that has been bothering me recently. When I use this library in lammps, I find that this library does not seem to support GPU acceleration, and the GPU utilization is always 0. This library can only used on the CPU ?

chr1shr commented 1 year ago

No, Voro++ does not support GPU acceleration. We have discussed this as a possible future direction for development, but it would likely involve a major overhaul of the core routines. It would be a long project.

Recently though we have completed a version of Voro++ that uses multithreading via the OpenMP library. There is a manuscript currently in review on this work. The code is available in the dev branch of the repository. It has very high parallel efficiency: you can often get close to 100% efficiency for a large system on a multi-core machine.

The dev version has been well-tested at this point so you can try it out. But it's currently not integrated with LAMMPS and there are technical issues about how to do that.

zhoujingyu13687306871 commented 1 year ago

@chr1shr thank you prof Chris Rycroft , I get it