/BaryTree

BaryTree is a library for fast computation of N-body interactions on multiple GPUs, based on barycentric Lagrange and Hermite polynomial interpolation treecodes, using OpenACC for GPU parallelization.

Primary LanguageCMIT LicenseMIT

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BaryTree

A work-in-progress library for fast computation of N-body interactions on multiple GPUs, BaryTree implements barycentric Lagrange and Hermite polynomial interpolation treecodes. The current code employs an OpenACC GPU implementation.

Authors:

Department of Mathematics, University of Michigan, Ann Arbor.

Building

This project uses CMake to manage and configure its build system. In principle, building this project is as simple as executing the following from the top level directory of BaryTree:

mkdir build; cd build; export CC=<C compiler>; cmake ..; make

Compiling GPU versions requires that a PGI C compiler be used. For more information on building and installing, see INSTALL.md in this directory.

Examples

See the examples directory for several example executables that use BaryTree and the Trilinos Zoltan library for load balancing, in addition to an example using the library's interface for C programs. See examples/README.md for more details.

Interfaces

See the interfaces directory for BaryTree interfaces for non-C programs. Currently, there is a Python interface and an example script using that interface. See interfaces/README.md for more details.

References

Please refer to the following references for more background:

  • N. Vaughn, L. Wilson, and R. Krasny, A GPU-accelerated barycentric Lagrange treecode, submitted to Proc. 21st IEEE Int. Workshop Parallel Distrib. Sci. Eng. Comput. (PDSEC 2020) (2020).

  • R. Krasny and L. Wang, A treecode based on barycentric Hermite interpolation for electrostatic particle interactions, Comput. Math. Biophys. 7 (2019), 73-84.

  • H. A. Boateng and R. Krasny, Comparison of treecodes for computing electrostatic potentials in charged particle systems with disjoint targets and sources, J. Comput. Chem. 34 (2013), 2159-2167.

  • J.-P. Berrut and L. N. Trefethen, Barycentric Lagrange interpolation, SIAM Rev. 46 (2004), 501-517.

  • Z.-H. Duan and R. Krasny, An adaptive treecode for computing nonbonded potential energy in classical molecular systems, J. Comput. Chem. 22 (2001), 184–195.

License

Copyright © 2019-2020, The Regents of the University of Michigan. Released under the MIT License.