Listar ICC_Articles por autoría "0dd27edf-a0a8-4faa-891d-d709b736b9b5"
Mostrando ítems 1-3 de 3
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A fast band–Krylov eigensolver for macromolecular functional motion simulation on multicore architectures and graphics processors
Aliaga Estellés, José Ignacio; Alonso-Jordá, Pedro; Badía, José; Chacón, Pablo; Davidovic, Davor; López Blanco, José R.; Quintana-Orti, Enrique S. Elsevier (2016-03-15)We introduce a new iterative Krylov subspace-based eigensolver for the simulation of macromolecular motions on desktop multithreaded platforms equipped with multicore processors and, possibly, a graphics accelerator (GPU). ... -
Out-of-core macromolecular simulations on multithreaded architectures
Aliaga Estellés, José Ignacio; Badía, José; Castillo Catalán, María Isabel; Davidovic, Davor; Mayo, Rafael; Quintana-Orti, Enrique S. Wiley (2015)We address the solution of large-scale eigenvalue problems that appear in the motion simulation o f com- plex macromolecules on multithreaded platforms, consisting of multicore processors and possibly a graphics processor ... -
Solving dense generalized eigenproblems on multi-threaded architectures
Aliaga Estellés, José Ignacio; Bientinesi, Paolo; Davidovic, Davor; Di Napoli, Edoardo; Igual, Francisco; Quintana-Orti, Enrique S. Elsevier (2012-07)We compare two approaches to compute a fraction of the spectrum of dense symmetric definite generalized eigenproblems: one is based on the reduction to tridiagonal form, and the other on the Krylov-subspace iteration. ...