Full-neighbor-list based numerical reproducibility method for parallel molecular dynamics simulations

Author:

Xu Liyang,Ren XiaoguangORCID,Wang Qian,Xu Xinhai,Yang Xuejun

Funder

National Natural Science Foundation of China

Publisher

Elsevier BV

Subject

Artificial Intelligence,Computer Graphics and Computer-Aided Design,Computer Networks and Communications,Hardware and Architecture,Theoretical Computer Science,Software

Reference19 articles.

1. Coupling strategies investigation of hybrid atomistic-continuum method based on state variable coupling;Wang,2017

2. Accurate and efficient floating point summation;Demmel,2003

3. Pracniques: further remarks on reducing truncation errors;Kahan;Commun. ACM,1965

4. Using accurate arithmetics to improve numerical reproducibility and stability in parallel applications;He;J. Supercomput.,2001

5. Ultimately fast accurate summation;Rump;SIAM J. Sci. Comput.,2009

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