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@INPROCEEDINGS{DiNapoli:189021,
author = {Di Napoli, Edoardo and Wortmann, Daniel and Berljafa,
Mario},
title = {{E}nabling {L}arge {S}cale {LAPW} {DFT} {C}alculations by a
{S}calable {I}terative {E}igensolver},
reportid = {FZJ-2015-02284},
year = {2015},
abstract = {In LAPW-based methods a sequence of dense generalized
eigenvalue problems appears. Traditionally these problems
were solved using direct eigensolvers from standard
libraries like ScaLAPACK. We developed a subspace iteration
method pre-conditioned with Chebyshev polynomials of optimal
degree (ChASE). This algorithm is consistently competitive
with direct eigensolvers and greatly enhance performance and
scalability. ChASE is included in the FLEUR software and
improves its scaling behaviour for calculations of large
physical systems on modern supercomputers.},
month = {Mar},
date = {2015-03-14},
organization = {SIAM Conference on Computational
Science $\&$ Engineering, Salt Lake
City (USA), 14 Mar 2015 - 18 Mar 2015},
subtyp = {Invited},
cin = {JSC},
cid = {I:(DE-Juel1)JSC-20090406},
pnm = {511 - Computational Science and Mathematical Methods
(POF3-511) / Simulation and Data Laboratory Quantum
Materials (SDLQM) (SDLQM)},
pid = {G:(DE-HGF)POF3-511 / G:(DE-Juel1)SDLQM},
typ = {PUB:(DE-HGF)6},
url = {https://juser.fz-juelich.de/record/189021},
}