Debugging accumulation of floating-point errors is hard; ideally, computer should track it automatically. Here we consider twofold approximation of an exact real with value + error pair of floating-point numbers. Normally, value + error sum is more accurate than value alone, so error can estimate deviation between value and its exact target. Fast summation algorithm, that provides twofold sum of x[1]+...+x[N] or dot product x[1]*y[1]+...+x[N]*y[N], can be same fast as direct summation sometimes if leveraging processor underused potential. This way, we can hit three goals: improve precision, track inaccuracy, and do this with little if any loss in performance.
A Fast Summation Method for Oscillatory Lattice Sums
Courant Institute of Mathematical Sciences, New York University(纽约大学柯朗数学科学研究所);National Institute of Standards and Technology(美国国家标准与技术研究院);Yale University(耶鲁大学)
Fast summation of Stokes potentials using a new kernel-splitting in the DMK framework
Flatiron Institute, Simons Foundation(西蒙斯基金会平顿研究所);Courant Institute of Mathematical Sciences, New York University(纽约大学柯朗数学科学研究所);Royal Institute of Technology(皇家理工学院)
Fast Ewald Summation with Prolates for Charged Systems in the NPT Ensemble
Center for Computational Mathematics, Flatiron Institute(西蒙斯基金会平顿研究所计算数学中心);School of Mathematical Sciences, Shanghai Jiao Tong University(上海交通大学数学科学学院)
Accelerating Molecular Dynamics Simulations using Fast Ewald Summation with Prolates
Center for Computational Mathematics, Flatiron Institute(计算数学中心,Flatiron研究所);School of Mathematical Sciences, Shanghai Jiao Tong University(上海交通大学数学科学学院);Courant Institute of Mathematical Sciences, New York University(纽约大学柯朗数学科学研究所)
Bashkir State University(巴什基尔国立大学);Center for Micro and Nanoscale Dynamics of Dispersed Systems, Bashkir State University(巴什基尔国立大学分散系统微纳动力学中心);Fantalgo, LLC.(Fantalgo有限责任公司);Institute for Advanced Computer Studies(高级计算机研究所);Department of Computer Science(计算机科学系);University of Maryland, College Park(马里兰大学帕克分校)