New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems

In this paper, we address high performance extreme‐scale molecular dynamics (MD) algorithm in the GENESIS software to perform cellular‐scale molecular dynamics (MD) simulations with more than 100,000 CPU cores. It includes (1) the new algorithm of real‐space nonbonded interactions maximizing the per...

Celý popis

Uložené v:

Podrobná bibliografia
Vydané v:	Journal of computational chemistry Ročník 42; číslo 4; s. 231 - 241
Hlavní autori:	Jung, Jaewoon, Kobayashi, Chigusa, Kasahara, Kento, Tan, Cheng, Kuroda, Akiyoshi, Minami, Kazuo, Ishiduki, Shigeru, Nishiki, Tatsuo, Inoue, Hikaru, Ishikawa, Yutaka, Feig, Michael, Sugita, Yuji
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Hoboken, USA John Wiley & Sons, Inc 05.02.2021 Wiley Subscription Services, Inc
Predmet:	Algorithms ARM CPU architecture Central processing units Computational Biology - methods CPUs DNA - chemistry fast Fourier transform Fugaku supercomputer Molecular dynamics Molecular Dynamics Simulation parallel input/output setup RNA - chemistry Simulation ARM CPU architecture parallel input/output setup fast Fourier transform Fugaku supercomputer molecular dynamics simulation
ISSN:	0192-8651, 1096-987X, 1096-987X
On-line prístup:	Získať plný text
Tagy:	Pridať tag Žiadne tagy, Buďte prvý, kto otaguje tento záznam!

Buďte prvý, kto okomentuje tento záznam!