The Efficiency of Transfer-matrix Simulations of Supramolecular Magnets in the Parallel Computing Environment

Abstract

The deterministic quantum transfer-matrix (QTM) technique and its mathematical background are presented. This important tool in computational physics can be applied to a class of the real physical low-dimensional magnetic systems described by the Heisenberg hamiltonian which includes the macroscopic molecular-based spin chains, small size magnetic clusters embedded in some supramolecules and other interesting compounds. In order to convert existing application for the susceptibility calculations to run on the grid, the speed-up and efficiency of parallelization are analyzed on the SGI Origin 3800 platform with p = 128 processor units. Using Message Parallel Interface (MPI) system libraries we find the efficiency of the code of 94% for p = 128 that makes our application suitable for the grid.