000835038 001__ 835038
000835038 005__ 20221109161715.0
000835038 0247_ $$2Handle$$a2128/14945
000835038 037__ $$aFZJ-2017-04908
000835038 041__ $$aEnglish
000835038 1001_ $$0P:(DE-Juel1)167415$$aWinkelmann, Jan$$b0$$eCorresponding author
000835038 1112_ $$aJoint Laboratory for Extreme-Scale Computing Workshop$$cUrbana-Champaign$$d2017-07-17 - 2017-07-19$$gJLESC$$wUSA
000835038 245__ $$aOptimizing the ChASE eigensolver for Bethe-Salpeter computations
000835038 260__ $$c2017
000835038 3367_ $$033$$2EndNote$$aConference Paper
000835038 3367_ $$2DataCite$$aOther
000835038 3367_ $$2BibTeX$$aINPROCEEDINGS
000835038 3367_ $$2DRIVER$$aconferenceObject
000835038 3367_ $$2ORCID$$aLECTURE_SPEECH
000835038 3367_ $$0PUB:(DE-HGF)6$$2PUB:(DE-HGF)$$aConference Presentation$$bconf$$mconf$$s1500897520_6038$$xInvited
000835038 520__ $$aThe Chebyshev Accelerated Subspace iteration Eigensolver (ChASE) is an iterative eigensolver developed at the JSC by the SimLab Quantum Materials. The solver mainly targets sequences of dense eigenvalue problems as they arise in Density Functional Theory, but can also work on the single eigenproblem. ChASE leverages on the predominant use of BLAS 3 subroutines to achieve close-to-peak performance and potentially achieve scalability over hundreds if not thousands of computing nodes. We have recently succeeded to integrate a version of the ChASE library within the Jena BSE code. Preliminary comparison between ChASE and the conjugate gradient eigensolver (KSCG), previously used by the Jena BSE code, shows that ChASE can outperform KSCG with speedups up to 5X. In this talk we illustrate our latest results and give an outlook of the scientific problems that can be tackled once the integration is successfully completed.
000835038 536__ $$0G:(DE-HGF)POF3-511$$a511 - Computational Science and Mathematical Methods (POF3-511)$$cPOF3-511$$fPOF III$$x0
000835038 536__ $$0G:(DE-Juel1)SDLQM$$aSimulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM)$$cSDLQM$$fSimulation and Data Laboratory Quantum Materials (SDLQM)$$x2
000835038 7001_ $$0P:(DE-Juel1)144723$$aDi Napoli, Edoardo$$b1
000835038 7001_ $$0P:(DE-HGF)0$$aSchleife, Andre`$$b2
000835038 8564_ $$uhttps://juser.fz-juelich.de/record/835038/files/jlesc_ncsa_2017_chase_bse.pdf$$yOpenAccess
000835038 909CO $$ooai:juser.fz-juelich.de:835038$$pdriver$$pVDB$$popen_access$$popenaire
000835038 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)167415$$aForschungszentrum Jülich$$b0$$kFZJ
000835038 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)144723$$aForschungszentrum Jülich$$b1$$kFZJ
000835038 9131_ $$0G:(DE-HGF)POF3-511$$1G:(DE-HGF)POF3-510$$2G:(DE-HGF)POF3-500$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bKey Technologies$$lSupercomputing & Big Data$$vComputational Science and Mathematical Methods$$x0
000835038 9141_ $$y2017
000835038 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000835038 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0
000835038 980__ $$aconf
000835038 980__ $$aVDB
000835038 980__ $$aUNRESTRICTED
000835038 980__ $$aI:(DE-Juel1)JSC-20090406
000835038 9801_ $$aFullTexts