Several methods for density matrix propagation in distributed computing
environments, such as clusters and graphics processing units, are proposed and
evaluated. It is demonstrated that the large communication overhead associated
with each propagation step (two-sided multiplication of the density matrix by
an exponential propagator and its conjugate) may be avoided and the simulation
recast in a form that requires virtually no inter-thread communication. Good
scaling is demonstrated on a 128-core (16 nodes, 8 cores each) cluster.Comment: Submitted for publicatio
