A massively parallel adaptive fast-multipole method on heterogeneous architectures

Author(s):  
Ilya Lashuk ◽  
George Biros ◽  
Aparna Chandramowlishwaran ◽  
Harper Langston ◽  
Tuan-Anh Nguyen ◽  
...  
2012 ◽  
Vol 55 (5) ◽  
pp. 101-109 ◽  
Author(s):  
Ilya Lashuk ◽  
Aparna Chandramowlishwaran ◽  
Harper Langston ◽  
Tuan-Anh Nguyen ◽  
Rahul Sampath ◽  
...  

1992 ◽  
Vol 278 ◽  
Author(s):  
Steven R. Lustig ◽  
J.J. Cristy ◽  
D.A. Pensak

AbstractThe fast multipole method (FMM) is implemented in canonical ensemble particle simulations to compute non-bonded interactions efficiently with explicit error control. Multipole and local expansions have been derived to implement the FMM efficiently in Cartesian coordinates for soft-sphere (inverse power law), Lennard- Jones, Morse and Yukawa potential functions. Significant reductions in execution times have been achieved with respect to the direct method. For a given number, N, of particles the execution times of the direct method scale asO(N2). The FMM execution times scale asO(N) on sequential workstations and vector processors and asymptotically0(logN) on massively parallel computers. Connection Machine CM-2 and WAVETRACER-DTC parallel FMM implementations execute faster than the Cray-YMP vectorized FMM for ensemble sizes larger than 28k and 35k, respectively. For 256k particle ensembles the CM-2 parallel FMM is 12 times faster than the Cray-YMP vectorized direct method and 2.2 times faster than the vectorized FMM. For 256k particle ensembles the WAVETRACER-DTC parallel FMM is 33 times faster than the Cray-YMP vectorized direct method.


2007 ◽  
Vol 55 (6) ◽  
pp. 1810-1816 ◽  
Author(s):  
Caleb Waltz ◽  
Kubilay Sertel ◽  
Michael A. Carr ◽  
Brian C. Usner ◽  
John L. Volakis

2015 ◽  
Vol 17 (47) ◽  
pp. 31480-31490 ◽  
Author(s):  
Elias A. Toivanen ◽  
Sergio A. Losilla ◽  
Dage Sundholm

A grid-based fast multipole method has been developed for calculating two-electron interaction energies for non-overlapping charge densities.


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