In order to achieve high-quality and high-efficiency production in the mold manufacturing process, based on energy efficiency and surface quality, the objective function model is optimized, and the non-dominated sorting genetic algorithm is used for parameter optimization. The Cr12MoV die steel material was selected for the orthogonal experiment of single-step dry milling, and the optimized Pareto solution set was obtained through the experimental results. Considering the narrowing of selection range of optimization results to improve the reasonable accuracy of the CNC milling scheme, analytic hierarchy process is used to evaluate and analyze optimized parameter combination scheme. The results show that the application of AHP can be used to obtain the best target parameter combination scheme, which can realize high efficiency and high quality processing in the process of CNC machine tool processing.