001019419 001__ 1019419 001019419 005__ 20231220201929.0 001019419 0247_ $$2doi$$a10.5281/ZENODO.8220811 001019419 037__ $$aFZJ-2023-05376 001019419 1001_ $$0P:(DE-Juel1)178969$$aWu, Xinzhe$$b0$$ufzj 001019419 245__ $$aChASE-library/ChASE: ChASE (v1.4.0) 001019419 250__ $$a1.4.0 001019419 260__ $$c2023 001019419 3367_ $$2DCMI$$aSoftware 001019419 3367_ $$0PUB:(DE-HGF)33$$2PUB:(DE-HGF)$$aSoftware$$bsware$$msware$$s1703049720_24344 001019419 3367_ $$2BibTeX$$aMISC 001019419 3367_ $$06$$2EndNote$$aComputer Program 001019419 3367_ $$2ORCID$$aOTHER 001019419 3367_ $$2DataCite$$aSoftware 001019419 520__ $$aIntroduced a new distributed GPU-build of ChASE entirely based on the NVIDIA NCCL library, which avoids the explicit data movement between host and device memory, and leads to much faster collective communications among the involved GPUs. This new release achieves between a 1.5x and 3x with respect to the traditional distributed multi-GPUs build. Now ChASE can be compiled and executed with the following distinct parallel configurations: Distributed CPU only Distributed multi-GPUs (traditionally based on host-device communication standards) Distributed multi-GPUs (using NVIDIA NCCL library) 001019419 536__ $$0G:(DE-HGF)POF4-5111$$a5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511)$$cPOF4-511$$fPOF IV$$x0 001019419 536__ $$0G:(DE-Juel1)SDLQM$$aSimulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM)$$cSDLQM$$fSimulation and Data Laboratory Quantum Materials (SDLQM)$$x1 001019419 588__ $$aDataset connected to DataCite 001019419 7001_ $$0P:(DE-Juel1)144723$$aDi Napoli, Edoardo$$b1$$eCorresponding author$$ufzj 001019419 773__ $$a10.5281/ZENODO.8220811 001019419 909CO $$ooai:juser.fz-juelich.de:1019419$$pVDB 001019419 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)178969$$aForschungszentrum Jülich$$b0$$kFZJ 001019419 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)144723$$aForschungszentrum Jülich$$b1$$kFZJ 001019419 9131_ $$0G:(DE-HGF)POF4-511$$1G:(DE-HGF)POF4-510$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5111$$aDE-HGF$$bKey Technologies$$lEngineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action$$vEnabling Computational- & Data-Intensive Science and Engineering$$x0 001019419 9141_ $$y2023 001019419 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0 001019419 9201_ $$0I:(DE-Juel1)CASA-20230315$$kCASA$$lCenter for Advanced Simulation and Analytics$$x1 001019419 980__ $$asware 001019419 980__ $$aVDB 001019419 980__ $$aI:(DE-Juel1)JSC-20090406 001019419 980__ $$aI:(DE-Juel1)CASA-20230315 001019419 980__ $$aUNRESTRICTED