The purpose of the paper is to evaluate the shadow impact factor of buildings on building-integrated photovoltaic (BIPV) system efficiency and to determine optimal building configurations: shapes and orientation; to ensure BIPV efficiency based on the sun-shading effect. Also considered were the height, tilt angles, orientations and array spacing as well as different shapes of the podium building for BIPV system. A parametric design software called grasshopper and plug-in ladybug were used for the simulation. Model cases were built according to statistics of high-rise buildings in Shanghai. The simulation condition was based on the winter solstice of 21 December. The results show the best shapes for high-rise buildings are circle and square, to ensure the best BIPV system efficiency. The BIPV should be located on the roof and the ‘U’ type podium building is the best shape for mounting the BIPV system to provide a good sunlight exposure no matter what the high-rise building shape is. For PV panels, the best height is 0.618 m, the optimum tilt angle and array spacing is 30° and 1.214 m, respectively. The best orientation is southward followed by southeast, southwest and with the BIPV tilting upward at 30°. Therefore, to maximize the solar energy generation, architects should consider square and round high-rise buildings and ‘U’ type podiums for mounting BIPV systems in commercial complex buildings.