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Title: Distributed-memory multi-GPU block-sparse tensor contraction for electronic structure
Many domains of scientific simulation (chemistry, condensed matter physics, data science) increasingly eschew dense tensors for block-sparse tensors, sometimes with additional structure (recursive hierarchy, rank sparsity, etc.). Distributed-memory parallel computation with block-sparse tensorial data is paramount to minimize the time-to-solution (e.g., to study dynamical problems or for real-time analysis) and to accommodate problems of realistic size that are too large to fit into the host/device memory of a single node equipped with accelerators. Unfortunately, computation with such irregular data structures is a poor match to the dominant imperative, bulk-synchronous parallel programming model. In this paper, we focus on the critical element of block-sparse tensor algebra, namely binary tensor contraction, and report on an efficient and scalable implementation using the task-focused PaRSEC runtime. High performance of the block-sparse tensor contraction on the Summit supercomputer is demonstrated for synthetic data as well as for real data involved in electronic structure simulations of unprecedented size.  more » « less
Award ID(s):
1931387 1931384 1931347
NSF-PAR ID:
10301393
Author(s) / Creator(s):
; ; ; ; ; ;
Date Published:
Journal Name:
2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW)
Page Range / eLocation ID:
537 to 546
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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