Open AccessMDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations
Author(s) -
Michael Gecht,
Marc Siggel,
Max Linke,
Gerhard Hummer,
Jürgen Köfinger
Publication year - 2020
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0019045
Subject(s) - computer science , graphics processing unit , exascale computing , benchmarking , software , set (abstract data type) , node (physics) , parallel computing , supercomputer , central processing unit , benchmark (surveying) , computational science , distributed computing , operating system , structural engineering , marketing , engineering , business , programming language , geodesy , geography
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