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

Published: 1 May 2004| Version 1 | DOI: 10.17632/j7ggvbvtsz.1
F.V Theos, I.E Lagaris, D.G Papageorgiou


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)



Computational Physics, Computational Method