{"paper":{"title":"Hybrid CPU-GPU generation of the Hamiltonian and Overlap matrices in FLAPW methods","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.DC","cs.PF"],"primary_cat":"cs.CE","authors_text":"(2) RBI, (3) J\\\"ulich Supercomputing Centre, 4) ((1) AICES, (4) J\\\"ulich Aachen Research Alliance -- High-performance Computing), Croatia, Davor Davidovi\\'c (2), Diego Fabregat-Traver (1), Edoardo Di Napoli (3, Markus H\\\"ohnerbach (1), RWTH Aachen University, Zagreb","submitted_at":"2016-10-31T13:48:29Z","abstract_excerpt":"In this paper we focus on the integration of high-performance numerical libraries in ab initio codes and the portability of performance and scalability. The target of our work is FLEUR, a software for electronic structure calculations developed in the Forschungszentrum J\\\"ulich over the course of two decades. The presented work follows up on a previous effort to modernize legacy code by re-engineering and rewriting it in terms of highly optimized libraries. We illustrate how this initial effort to get efficient and portable shared-memory code enables fast porting of the code to emerging hetero"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1611.00606","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}