000868381 001__ 868381 000868381 005__ 20221109161716.0 000868381 0247_ $$2Handle$$a2128/23784 000868381 037__ $$aFZJ-2019-06910 000868381 041__ $$aEnglish 000868381 1001_ $$0P:(DE-Juel1)144723$$aDi Napoli, Edoardo$$b0$$eCorresponding author$$ufzj 000868381 1112_ $$aSIAM Computational Science and Engineering$$cSpokane$$d2019-02-24 - 2019-03-01$$gCSE 19$$wUSA 000868381 245__ $$aThe ChASE library for Large Hermitian Eigenvalue Problems 000868381 260__ $$c2019 000868381 3367_ $$033$$2EndNote$$aConference Paper 000868381 3367_ $$2DataCite$$aOther 000868381 3367_ $$2BibTeX$$aINPROCEEDINGS 000868381 3367_ $$2DRIVER$$aconferenceObject 000868381 3367_ $$2ORCID$$aLECTURE_SPEECH 000868381 3367_ $$0PUB:(DE-HGF)6$$2PUB:(DE-HGF)$$aConference Presentation$$bconf$$mconf$$s1578314186_25173$$xInvited 000868381 520__ $$aChASE is a new library based on an optimized version of subspace iteration with polynomial acceleration. ChASE is written in C++ using the most current concepts in software engineering which favor a simple integration in application codes and effortless portability over heterogeneous platforms. When solving sequences of Hermitian eigenproblems for a portion of their exterior spectrum, ChASE experiences a considerable speedup and outperforms direct solvers in many scenarios. ChASE performance depends on a number of internal parameters whose choice has been optimized by the automatic estimation of the necessary spectral properties of the eigenproblem. Such feature greatly simplifies its use by the average user. The library is highly scalable, ships with two distinct parallelization schemes and is easily extensible to other computing architectures. 000868381 536__ $$0G:(DE-HGF)POF3-511$$a511 - Computational Science and Mathematical Methods (POF3-511)$$cPOF3-511$$fPOF III$$x0 000868381 536__ $$0G:(DE-Juel1)SDLQM$$aSimulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM)$$cSDLQM$$fSimulation and Data Laboratory Quantum Materials (SDLQM)$$x2 000868381 7001_ $$0P:(DE-Juel1)167415$$aWinkelmann, Jan$$b1$$ufzj 000868381 7001_ $$0P:(DE-HGF)0$$aSchleife, Andre`$$b2 000868381 8564_ $$uhttps://juser.fz-juelich.de/record/868381/files/CSE19_Di-Napoli.pdf$$yOpenAccess 000868381 8564_ $$uhttps://juser.fz-juelich.de/record/868381/files/CSE19_Di-Napoli.pdf?subformat=pdfa$$xpdfa$$yOpenAccess 000868381 909CO $$ooai:juser.fz-juelich.de:868381$$pdriver$$pVDB$$popen_access$$popenaire 000868381 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)144723$$aForschungszentrum Jülich$$b0$$kFZJ 000868381 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)167415$$aForschungszentrum Jülich$$b1$$kFZJ 000868381 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 000868381 9141_ $$y2019 000868381 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess 000868381 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0 000868381 9801_ $$aFullTexts 000868381 980__ $$aconf 000868381 980__ $$aVDB 000868381 980__ $$aUNRESTRICTED 000868381 980__ $$aI:(DE-Juel1)JSC-20090406