PANMIN: sequential and parallel global optimization procedures with a variety of options for the local search strategy

Abstract
We present two sequential and one parallel global optimization codes, that belong to the stochastic class, and an interface routine that enables the use of the Merlin/MCL environment as a non-interactive local optimizer. This interface proved extremely important, since it provides flexibility, effectiveness and robustness to the local search task that is in turn employed by the global procedures. We demonstrate the use of the parallel code to a molecular conformation problem.

Title of program: PANMIN
Catalogue Id: ADSU_v1_0

Nature of problem
A multitude of problems in science and engineering are often reduced to minimizing a function of many variables. There are instances that a local optimum does not correspond to the desired physical solution and hence the search for a better solution is required. Local optimization techniques can be trapped in any local minimum. Global optimization is then the appropriate tool. For example, solving a non-linear system of equations via optimization, one may encounter many local minima that do not ...

Versions of this program held in the CPC repository in Mendeley Data
ADSU_v1_0; PANMIN; 10.1016/j.cpc.2003.11.001

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

摘要
本报告呈现了两种序列和一种并行全局优化代码，它们属于随机优化类别，并介绍了一种接口例程，该例程使Merlin/MCL环境能够作为非交互式局部优化器使用。这一接口的引入显得尤为关键，因为它为全局搜索任务提供了灵活性、效能与鲁棒性，而全局搜索任务又是全局优化过程所依赖的。我们展示了如何利用并行代码解决分子构象问题。

程序标题：PANMIN
目录编号：ADSU_v1_0

问题性质
在科学和工程领域，众多问题往往被归结为求多变量函数的最小值。在某些情况下，局部最优解并不对应于期望的物理解，因此需要寻找更好的解决方案。局部优化技术可能陷入任何局部最小值中。因此，全局优化成为恰当的工具。例如，通过优化求解非线性方程组时，可能会遇到许多非局部最小值，这些最小值并不……

本程序版本存档于Mendeley Data中的CPC程序库
ADSU_v1_0；PANMIN；10.1016/j.cpc.2003.11.001

本程序已从贝尔法斯特女王大学（1969-2018）的CPC程序库中导入。