One of the most fascinating issues in modern condensed matter physics is to understand highly-correlated electronic structures and propose their novel device designs toward the reduced carbon-dioxide future. Among various developed numerical approaches for highly-correlated electrons, the density matrix renormalization group (DMRG) has been widely accepted as the most promising numerical scheme compared to Monte Carlo and exact diagonalization in terms of accuracy and accessible system size. In fact, DMRG almost perfectly resolves one-dimensional chain like long quantum systems. In this paper, we suggest its extended approach toward higher-dimensional systems by high-performanc computing techniques. The computing target in DMRG is a huge non-uniform sparse matrix diagonalization. In order to efficiently parallelize the part, we implement communication step doubling together with reuse of the mid-point data between the doubled two steps to avoid severe bottleneck of all-to-all communications essential for the diagonalization. The technique is successful even for clusters composed of more than 1000 cores and offers a trustworthy exploration way for two-dimensional highly-correlated systems.
We parallelize density-matrix renormalization group to directly extend it to 2-dimensional (
n-leg) quantum lattice models. The parallelization is made mainly on the exact diagonalization for the superblock Hamiltonian since the part requires an enormous memory space as the leg number
n increases. The superblock Hamiltonian is divided into three parts, and the correspondent superblock vector is transformed into a matrix, whose elements are uniformly distributed into processors. The parallel efficiency shows a high rate as the number of the states kept
m increases, and the eigenvalue converges within only a few sweeps in contrast to the multichain algorithm.