MPI updates - Githubissues

bowman-lab / enspara

Modeling molecular ensembles with scalable data structures and parallel computing

https://enspara.readthedocs.io

GNU General Public License v3.0

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Closed justinrporter closed 5 years ago

justinrporter commented 5 years ago

change mpi semantics
fix bug in kcenters where distances weren't sha…red between nodes for the purpose of stopping conditions.