Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers-Reference-Cited by-同舟云学术

Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers

Published:2021-03 Issue: Volume:260 Page:107745
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Klöffel Tobias,Mathias Gerald,Meyer Bernd^ORCID

Funder

Bayerisches Staatsministerium für Wissenschaft, Forschung und Kunst

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference46 articles.

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2. CPMD: Car–Parinello Molecular Dynamics, Version 4.1;Hutter,2019

3. Message Passing Interface Forum, MPI: a Message-Passing Interface Standard, Version 3.1,2015

4. OpenMP Architecture Review Board, OpenMP Application Programming Interface,2002

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