BaryTree

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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.

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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 fast
   summation methods. The current code employs an OpenACC GPU implementation with MPI
   for distributed memory parallelization.

Authors:  
   - Leighton W. Wilson  (lwwilson@umich.edu) 
   - Nathan J. Vaughn  (njvaughn@umich.edu) 
   
   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:
        
   - L. Wilson, N. Vaughn, and R. Krasny, A GPU-accelerated fast 
            multipole method based on barycentric Lagrange interpolation 
            and dual tree traversal, 
	    _Comput. Phys. Commun._ __265__ (2021), 108017. 
	
   - N. Vaughn, L. Wilson, and R. Krasny, A GPU-accelerated barycentric 
            Lagrange treecode, 
	    _Proc. 21st IEEE Int. Workshop Parallel Distrib. Sci. Eng. 
	    Comput._ (PDSEC 2020) (2020).
	    
   - L. Wang, R. Krasny, and S. Tlupova, A kernel-independent treecode 
            based on barycentric Lagrange interpolation, 
	    _Commun. Comput. Phys._ __28__ (2020), 1415-1436.
	    
   - 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.

Disclaimer
----------
This material is based upon work supported by the National Science Foundation under grant DMS-1819094, and by the Extreme Science and Engineering Discovery Environment (XSEDE) under grants ACI-1548562 and ASC-190062. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.

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