TY  - CONF
AU  - Berljafa, Mario
AU  - Di Napoli, Edoardo
TI  - A Parallel and Scalable Iterative Solver for Sequences of Dense Eigenproblems Arising in FLAPW
VL  - 8385
CY  - Berlin, Heidelberg
PB  - Springer Berlin Heidelberg
M1  - FZJ-2014-04195
SN  - 978-3-642-55194-9 (print)
T2  - Lecture Notes in Computer Science
SP  - 395 - 406
PY  - 2014
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  - The 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)8 ; PUB:(DE-HGF)7
UR  - <Go to ISI:>//WOS:000347415600037
DO  - DOI:10.1007/978-3-642-55195-6_37
UR  - https://juser.fz-juelich.de/record/154999
ER  -