Out-of-Core Solution of Eigenproblems for Macromolecular Simulations

被引：1

作者：

Aliaga, Jose I. ^{[1
]}

Davidovic, Davor ^{[2
]}

Quintana-Orti, Enrique S. ^{[1
]}

机构：

[1] Univ Jaume 1, Dept Ingn & Ciencia Comp, Castellon de La Plana 12071, Spain

[2] Rudjer Boskovic Inst, CIR, Zagreb 10000, Croatia

来源：

PARALLEL PROCESSING AND APPLIED MATHEMATICS (PPAM 2013), PT I | 2014年 / 8384卷

关键词：

Macromolecular motion simulation; Eigenvalue problems; Out-of-core computing; Multicore processors; GPUs; NORMAL-MODE ANALYSIS;

D O I：

10.1007/978-3-642-55224-3_46

中图分类号：

TP301 [理论、方法];

学科分类号：

081202 ;

摘要：

We consider the solution of large-scale eigenvalue problems that appear in the motion simulation of complex macromolecules on desktop platforms. To tackle the dimension of the matrices that are involved in these problems, we formulate out-of-core (OOC) variants of the two selected eigensolvers, that basically decouple the performance of the solver from the storage capacity. Furthermore, we contend with the high computational complexity of the solvers by off-loading the arithmeticallyintensive parts of the algorithms to a hardware graphics accelerator.

引用

页码：490 / 499

页数：10

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