Exploring large macromolecular functional motions on clusters of multicore processors

Journal of Computational Physics

Volumn 246, Issue , 2013, Pages 275-288

  López Blanco, José R ^a   Reyes, Ruymán ^b   Aliaga, José I ^b   Badia, Rosa M ^c   Chacón, Pablo ^a   Quintana Ortí, Enrique S ^b  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b UNIVERSITAT JAUME I   (Spain)

^c BARCELONA SUPERCOMPUTING CENTER   (Spain)

Author keywords

Clusters of multicore processors; Computational biology; Eigenvalue problems; Krylov subspace method; Macromolecular machines; Normal modes

Indexed keywords

EIGENVALUES AND EIGENFUNCTIONS; ITERATIVE METHODS;

CLUSTER OF MULTICORE PROCESSOR; COLLECTIVE MOTIONS; COMPUTATIONAL BIOLOGY; EIGENVALUE PROBLEM; FUNCTIONAL MOTIONS; INTERNAL COORDINATES; KRYLOV-SUBSPACE METHODS; MACROMOLECULAR MACHINE; MULTI-CORE PROCESSOR; NORMAL MODES;

MACROMOLECULES;

EID: 84877318583     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2013.03.032     Document Type: Article

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