SIPs: Shift-and-invert parallel spectral transformations
SIPs: Shift-and-invert parallel spectral transformations
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SIP：平移和反转并行光谱变换
DOI：
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发表时间：
2007
期刊：
影响因子：
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通讯作者：
P. Zapol
中科院分区：
文献类型：
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作者：
Hong Zhang;Barry F. Smith;M. Sternberg;P. Zapol
sip是一种高效、鲁棒的新型软件，可在并行计算机上实现多次平移和反相光谱变换。它建立在SLEPc和PETSc的基础上，可以计算稀疏对称广义特征值问题的大量特征对。SIPs的发展受到纳米材料建模应用的推动，其中矩阵尺寸的增长和病态特征值分布对求解器的效率和鲁棒性提出了挑战。本文提出了一种基于分布式频谱切片的并行特征值算法。介绍了面向对象的sip设计与实现技术，并在先进的分布式计算机上进行了数值模拟。
SIPs is a new efficient and robust software package implementing multiple shift-and-invert spectral transformations on parallel computers. Built on top of SLEPc and PETSc, it can compute very large numbers of eigenpairs for sparse symmetric generalized eigenvalue problems. The development of SIPs is motivated by applications in nanoscale materials modeling, in which the growing size of the matrices and the pathological eigenvalue distribution challenge the efficiency and robustness of the solver. In this article, we present a parallel eigenvalue algorithm based on distributed spectrum slicing. We describe the object-oriented design and implementation techniques in SIPs, and demonstrate its numerical performance on an advanced distributed computer.