Measuring instruments are intended to be intelligent, precise, multi-functional and developing multidirectionally, scientific, and reasonable; the reliable evaluation of measurement uncertainty of precision instruments is also becoming more and more difficult, and the evaluation of the Coordinate Measuring Machines (CMM) measurement uncertainty is among the typical problems. Based on Geometric Product Specification (GPS), this paper has systematically studied the CMM uncertainty for evaluating the size and geometrical errors oriented toward measurement tasks, and thus has realized the rapid and reliable evaluation of the CMM uncertainty for task-oriented measurement. For overestimation of the CMM uncertainty for task-oriented measurements in the initial evaluation, a systematic optimization solution has been proposed. Finally, the feasibility and validity of the evaluation model and the optimization method have been verified by three different types of measurement examples of diameter, flatness and perpendicularity. It is typical and representative to systematically solve the problem of the CMM uncertainty for evaluating the measurement tasks targeted at dimensions and geometric errors, and the research contents can be effectively applied to solve the uncertainty evaluation problems of other precision instruments, which are of great practical significance not only for promoting the combination of modern uncertainty theory and practical applications but also for improving the application values of precision measurement instruments.