Rapid urbanization had worsened urban environments worldwide. Recent research had identified green roof as an effective approach to adapt stormwater. However, despite various efforts to promote green roof, a major limitation of these systems in tropical and subtropical regions was that involved irrigation depend on potable water, which not only increased the burdens of scarce water resources but consumed municipal pumping electricity. Some researchers focused on determining how to use rainwater as an innovative irrigation water source and design storage tank size. However, specific design factors related to RHSs that incorporate green roof irrigation systems differ considerably from traditional RHSs designs. Previous studies had recommended using rainwater to address these concerns, although further research is required to develop a suitable design method. In this study, the major design factors for RHSs for green roof was examined, and a simulation-based mathematical model was established to elucidate the correlation between tank size and system performance. The majority of previous studies had focused on water source for toilets, which is constant for calculating system. For green roof irrigation that support plant life, water demand is subject to variations based on climate, soil, and vegetation. Moreover, the runoff coefficient of green roof differed in conjunction with variations in rainfall events, hydrological pro-exponential factors, soil thickness, plant selection, and roof slope. In this study, the tank size was determined with a simulation-based RHSs design method for green roof irrigation systems, and the optimal tank size was proposed based on the case study. The optimal system design of the potable water replacement rate was also discussed based on a case study of a university building in Keelung, Taiwan. The results show that simulation-based RHSs design method for green roof irrigation systems provides the optimize tank size and economic performance is feasible. Therefore, the RHSs design method of green roof is a useful tool for reducing irrigation water.