  In this paper we have explored computationally the solidification process of
large nickel clusters. This process has the characteristic features of the
first order phase transition occurring in a finite system. The focus of our
research is placed on the elucidation of correlated dynamics of a large
ensemble of particles in the course of the nanoscale liquid-solid phase
transition through the computation and analysis of the results of molecular
dynamics (MD) simulations with the corresponding theoretical model. This
problem is of significant interest and importance, because the controlled
dynamics of systems on the nanoscale is one of the central topics in the
development of modern nanotechnologies.
  MD simulations in large molecular systems are rather computer power
demanding. Therefore, in order to advance with MD simulations we have used
modern computational methods based on the graphics processing units (GPU). The
advantages of the use of GPUs for MD simulations in comparison with the CPUs
are demonstrated and benchmarked. The reported speedup reaches factors greater
than 400. This work opens a path towards exploration with the use of MD of a
larger number of scientific problems inaccessible earlier with the CPU based
computational technology.
