{"paper":{"title":"Optimization and parallelization of B-spline based orbital evaluations in QMC on multi/many-core shared memory processors","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cs.DC","authors_text":"Amrita Mathuriya, Anouar Benali, Jeongnim Kim, Luke Shulenburger, Ye Luo","submitted_at":"2016-11-08T19:31:51Z","abstract_excerpt":"B-spline based orbital representations are widely used in Quantum Monte Carlo (QMC) simulations of solids, historically taking as much as 50% of the total run time. Random accesses to a large four-dimensional array make it challenging to efficiently utilize caches and wide vector units of modern CPUs. We present node-level optimizations of B-spline evaluations on multi/many-core shared memory processors. To increase SIMD efficiency and bandwidth utilization, we first apply data layout transformation from array-of-structures to structure-of-arrays (SoA). Then by blocking SoA objects, we optimiz"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1611.02665","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"}