TY  - CONF
AU  - Di Napoli, Edoardo
AU  - Berljafa, Mario
TI  - A Parallel and Scalable Iterative Solver for Sequences of Dense Eigenproblems Arising in FLAPW
M1  - FZJ-2014-00592
PY  - 2013
AB  - In one of the most important methods in Density Functional Theory – the Full-Potential Linearized Augmented Plane Wave (FLAPW) method – dense generalized eigenproblems are organized in long sequences. Moreover each eigenproblem is strongly correlated to the next one in the sequence. We propose a novel approach which exploits such correlation through the use of an eigensolver based on subspace iteration and accelerated with Chebyshev polynomials. The resulting solver, parallelized using the Elemental library framework, achieves excellent scalability and is competitive with current dense parallel eigensolvers.
T2  - 10th International Conference on Parallel Processing and Applied Mathematics
CY  - 8 Sep 2013 - 11 Sep 2013, Warsaw (Poland)
Y2  - 8 Sep 2013 - 11 Sep 2013
M2  - Warsaw, Poland
LB  - PUB:(DE-HGF)6
UR  - https://juser.fz-juelich.de/record/150538
ER  -