Nanjing University High Performance Computing Center

Location: First floor, Mengminwei building, Gulou Campus, Nanjing University

        The main computing cluster of Nanjing University High Performance Computing Center is Lenovo Flex Cluster System which was officially opened in April 2017. The system consists of 906 CPU computing nodes (two-way Intel Xeon E5-2680v3), 4 GPU computing nodes (two 40c GPU cards per node), 4 login servers, 1 IBM ESS GL6 storage, 1 SSD high-speed parallel storage, with 2 Mellanox (648-port InfiniBand FDR 56Gb/s switch) as computing networks, and LSF as job scheduling system. The theoretical CPU of this system has a peak value of 8.7 billion CPUs per second (excluding GPUs), and the Linpack measured value is 79.62%.

        Detailed parameters for the central Flex cluster are as follows:

        The main computing cluster of NJU High Performance Computing Center has the right to use Gaussian, VASP, and Material Studio software, which are generally applied in first-principle and molecular dynamic studies on the distribution behaviors of elements and isotopes in different forms, such as diverse dissolved, adsorbed and solid species. We generally use this computing cluster to calculate the distribution behaviors of heavy metal elements (e.g. Cu, Zn, Ni, Cr, Cd) and their isotopes onto solution-mineral interface. This contributes to understand the complexation mechanisms for heavy metals at the atomic scale and to support basic data and theoretical model for surface interface chemistry of minerals.