On Sat, Nov 4, 2023 at 8:40 AM Mark Adams <[email protected]> wrote:

Hi MIGUEL,

This might be a good place to start: https://petsc.org/main/manual/vec/ Feel free to ask more specific questions, but the docs are a good place to start.

Thanks, Mark

On Fri, Nov 3, 2023 at 5:19 AM MIGUEL MOLINOS PEREZ <[email protected]> wrote:

...

Dear all,

I am currently working on the development of a in-house molecular dynamics code using PETSc and C++. So far the code works great, however it is a little bit slow since I am not exploiting MPI for PETSc vectors. I was wondering if there is a way to perform the domain decomposition efficiently using some PETSc functionality. Any feedback is highly appreciated.

It sounds like you mean "is there a way to specify a communication construct that can send my particle information automatically". We use PetscSF for that. You can see how this works with the DMSwarm class, which represents a particle discretization. You can either use that, or if it does not work for you, do the same things with your class. Thanks, Matt

Best regards,

...

Miguel

-- What most experimenters take for granted before they begin their experiments is infinitely more interesting than any results to which their experiments lead. -- Norbert Wiener https://www.cse.buffalo.edu/~knepley/ <http://www.cse.buffalo.edu/~knepley/>