FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1994549640> ?p ?o ?g. }

• W1994549640 endingPage "337" @default.
• W1994549640 startingPage "326" @default.
• W1994549640 abstract "Short-range molecular dynamics simulations of molecular systems are commonly parallelized by replicated-data methods, in which each processor stores a copy of all atom positions. This enables computation of bonded 2-, 3-, and 4-body forces within the molecular topology to be partitioned among processors straightforwardly. A drawback to such methods is that the interprocessor communication scales as N (the number of atoms) independent of P (the number of processors). Thus, their parallel efficiency falls off rapidly when large numbers of processors are used. In this article a new parallel method for simulating macromolecular or small-molecule systems is presented, called force-decomposition. Its memory and communication costs scale as N/√P, allowing larger problems to be run faster on greater numbers of processors. Like replicated-data techniques, and in contrast to spatial-decomposition approaches, the new method can be simply load balanced and performs well even for irregular simulation geometries. The implementation of the algorithm in a prototypical macromolecular simulation code ParBond is also discussed. On a 1024-processor Intel Paragon, ParBond runs a standard benchmark simulation of solvated myoglobin with a parallel efficiency of 61% and at 40 times the speed of a vectorized version of CHARMM running on a single Cray Y-MP processor. © 1996 by John Wiley & Sons, Inc." @default.
• W1994549640 created "2016-06-24" @default.
• W1994549640 creator A5050295525 @default.
• W1994549640 creator A5086026202 @default.
• W1994549640 date "1996-02-01" @default.
• W1994549640 modified "2023-10-13" @default.
• W1994549640 title "A new parallel method for molecular dynamics simulation of macromolecular systems" @default.
• W1994549640 cites W1601652026 @default.
• W1994549640 cites W1970470633 @default.
• W1994549640 cites W1977482735 @default.
• W1994549640 cites W1988673351 @default.
• W1994549640 cites W2011441915 @default.
• W1994549640 cites W2014289403 @default.
• W1994549640 cites W2015558782 @default.
• W1994549640 cites W2019465613 @default.
• W1994549640 cites W2020462241 @default.
• W1994549640 cites W2025715322 @default.
• W1994549640 cites W2041669624 @default.
• W1994549640 cites W2049200872 @default.
• W1994549640 cites W2068306188 @default.
• W1994549640 cites W2076455102 @default.
• W1994549640 cites W2083206954 @default.
• W1994549640 cites W2086741044 @default.
• W1994549640 cites W2093481053 @default.
• W1994549640 cites W2102346174 @default.
• W1994549640 cites W2106140689 @default.
• W1994549640 cites W2113607823 @default.
• W1994549640 cites W2118903484 @default.
• W1994549640 cites W2149489299 @default.
• W1994549640 cites W2152509830 @default.
• W1994549640 cites W2158224126 @default.
• W1994549640 cites W2162166182 @default.
• W1994549640 cites W2482997221 @default.
• W1994549640 cites W4243838827 @default.
• W1994549640 doi "https://doi.org/10.1002/(sici)1096-987x(199602)17:3<326::aid-jcc7>3.0.co;2-x" @default.
• W1994549640 hasPublicationYear "1996" @default.
• W1994549640 type Work @default.
• W1994549640 sameAs 1994549640 @default.
• W1994549640 citedByCount "125" @default.
• W1994549640 countsByYear W19945496402012 @default.
• W1994549640 countsByYear W19945496402013 @default.
• W1994549640 countsByYear W19945496402014 @default.
• W1994549640 countsByYear W19945496402015 @default.
• W1994549640 countsByYear W19945496402016 @default.
• W1994549640 countsByYear W19945496402017 @default.
• W1994549640 countsByYear W19945496402018 @default.
• W1994549640 countsByYear W19945496402019 @default.
• W1994549640 countsByYear W19945496402020 @default.
• W1994549640 countsByYear W19945496402021 @default.
• W1994549640 countsByYear W19945496402022 @default.
• W1994549640 countsByYear W19945496402023 @default.
• W1994549640 crossrefType "journal-article" @default.
• W1994549640 hasAuthorship W1994549640A5050295525 @default.
• W1994549640 hasAuthorship W1994549640A5086026202 @default.
• W1994549640 hasBestOaLocation W19945496402 @default.
• W1994549640 hasConcept C11413529 @default.
• W1994549640 hasConcept C120373497 @default.
• W1994549640 hasConcept C13280743 @default.
• W1994549640 hasConcept C147597530 @default.
• W1994549640 hasConcept C159985019 @default.
• W1994549640 hasConcept C173608175 @default.
• W1994549640 hasConcept C185592680 @default.
• W1994549640 hasConcept C185798385 @default.
• W1994549640 hasConcept C192562407 @default.
• W1994549640 hasConcept C204323151 @default.
• W1994549640 hasConcept C205649164 @default.
• W1994549640 hasConcept C41008148 @default.
• W1994549640 hasConcept C45374587 @default.
• W1994549640 hasConcept C459310 @default.
• W1994549640 hasConcept C59593255 @default.
• W1994549640 hasConcept C68339613 @default.
• W1994549640 hasConceptScore W1994549640C11413529 @default.
• W1994549640 hasConceptScore W1994549640C120373497 @default.
• W1994549640 hasConceptScore W1994549640C13280743 @default.
• W1994549640 hasConceptScore W1994549640C147597530 @default.
• W1994549640 hasConceptScore W1994549640C159985019 @default.
• W1994549640 hasConceptScore W1994549640C173608175 @default.
• W1994549640 hasConceptScore W1994549640C185592680 @default.
• W1994549640 hasConceptScore W1994549640C185798385 @default.
• W1994549640 hasConceptScore W1994549640C192562407 @default.
• W1994549640 hasConceptScore W1994549640C204323151 @default.
• W1994549640 hasConceptScore W1994549640C205649164 @default.
• W1994549640 hasConceptScore W1994549640C41008148 @default.
• W1994549640 hasConceptScore W1994549640C45374587 @default.
• W1994549640 hasConceptScore W1994549640C459310 @default.
• W1994549640 hasConceptScore W1994549640C59593255 @default.
• W1994549640 hasConceptScore W1994549640C68339613 @default.
• W1994549640 hasIssue "3" @default.
• W1994549640 hasLocation W19945496401 @default.
• W1994549640 hasLocation W19945496402 @default.
• W1994549640 hasOpenAccess W1994549640 @default.
• W1994549640 hasPrimaryLocation W19945496401 @default.
• W1994549640 hasRelatedWork W1519611381 @default.
• W1994549640 hasRelatedWork W1806822146 @default.
• W1994549640 hasRelatedWork W1869243490 @default.
• W1994549640 hasRelatedWork W2042026112 @default.
• W1994549640 hasRelatedWork W2116951845 @default.
• W1994549640 hasRelatedWork W2360668904 @default.

• next