A method for efficient configuration of a data center at full occupancy, having an initial empty occupancy level, said method comprises processor implemented steps of: a. capturing a plurality of design parameters of the data center at the initial empty occupancy level; b. mapping the design parameters with a plurality of predefined partitions of the data center at the initial empty occupancy level; c. mapping a plurality of predefined rack placements and heat load distribution amongst racks with each of the predefined partitions; d. mapping predefined cooling infrastructure parameters associated with each of the predefined rack placements and the heat load distribution for at least one permutation of each of said mapped predefined partition with the design parameters; e. analyzing a cooling performance for said at least one permutation, for the mapped cooling infrastructure parameters with rack placements and heat load distributions for said predefined partitions mapped with the design parameters, using a Computational Fluid Dynamics, CFD, tool; f. determining Power Usage Effectiveness, PUE, using a PUE predictor tool for each of the mapped permutations by integrating an IT power predictor to calculate power consumed by an IT equipment upon classifying the IT equipment based on type and manufacturer, a cooling power predictor to calculate power consumed by the cooling infrastructure taking into account of design parameters and operating parameters related to the cooling infrastructure, and a power losses predictor to calculate power consumed in lighting and losses in power distribution by estimating correlation of efficiency and loading level of an equipment, and calculating a total data center power as sum of an IT power calculated from the IT power predictor, a cooling power calculated from the cooling power predictor, and power losses calculated from the power losses predictor; and g. configuring the data center based on the mapped permutation having the optimum cooling performance with the lowest PUE. a. capturing a plurality of design parameters of the data center at the initial empty occupancy level; b. mapping the design parameters with a plurality of predefined partitions of the data center at the initial empty occupancy level; c. mapping a plurality of predefined rack placements and heat load distribution amongst racks with each of the predefined partitions; d. mapping predefined cooling infrastructure parameters associated with each of the predefined rack placements and the heat load distribution for at least one permutation of each of said mapped predefined partition with the design parameters; e. analyzing a cooling performance for said at least one permutation, for the mapped cooling infrastructure parameters with rack placements and heat load distributions for said predefined partitions mapped with the design parameters, using a Computational Fluid Dynamics, CFD, tool; f. determining Power Usage Effectiveness, PUE, using a PUE predictor tool for each of the mapped permutations by integrating an IT power predictor to calculate power consumed by an IT equipment upon classifying the IT equipment based on type and manufacturer, a cooling power predictor to calculate power consumed by the cooling infrastructure taking into account of design parameters and operating parameters related to the cooling infrastructure, and a power losses predictor to calculate power consumed in lighting and losses in power distribution by estimating correlation of efficiency and loading level of an equipment, and calculating a total data center power as sum of an IT power calculated from the IT power predictor, a cooling power calculated from the cooling power predictor, and power losses calculated from the power losses predictor; and g. configuring the data center based on the mapped permutation having the optimum cooling performance with the lowest PUE.