Lattice quantum chromodynamics (Lattice QCD) is an important theory and method to study the interaction between microscopic particles such as quarks and gluons. By discretizing the spacetime into a four-dimensional structural grid and defining the basic field quantity of QCD on the grid, researchers can use a numerical simulation method to study hadron interactions and properties from the first principle. However, the computation in this process is time-consuming, and large-scale parallel computing is required. The fundamental module of the Lattice QCD computation is the Lattice QCD solver which is the main hot spot of the program running. This work studies the realization and optimization of Lattice QCD solver from a domestic heterogeneous computing platform and proposes a design method of Lattice QCD solver, which realizes BiCGSTAB solver and significantly reduces the iteration numbers. With the odd/even pre-processing technology, the study reduces the computing scale of the problem and optimizes the Dslash module’s memory access in terms of the characteristics of a domestic heterogeneous accelerator. Experimental tests show that the speedup ratio of the solver is about 30 times higher than that of the unoptimized one, which provides a useful reference for the performance optimization of Lattice QCD software of domestic heterogeneous supercomputers.