High Performance Poisson Equation Solver for Hybrid CPU/GPU Systems

Stoyan Markov, Peicho Petkov, Damyan Grancharov, Georgi Georgiev
National Centre for Supercomputing Application, Akad. G. Bonchev Str., 25A, 1113 Sofia, Bulgaria
PRACE project, 2013


   title={High Performance Poisson Equation Solver for Hybrid CPU/GPU Systems},

   author={Markov, Stoyan and Petkov, Peicho and Grancharov, Damyan and Georgiev, Georgi},



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We investigated the possible way for treatment of electrostatic interactions by solving numerically Poisson’s equation using Conjugate Gradient method and Stabilized BiConjugate Gradient method. The aim of the research was to test the execution time of prototype programs running on BLueGene/P and CPU/GPU system. The results show that the tested methods are applicable for electrostatics treatment in molecular-dynamics simulations.
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