  Theoretical and experimental investigations of water vapor interaction with
porous materials are very needful for various fields of science and technology.
Not only studies of the interaction of water vapor and porous material as a
continuous medium, but also the study of the interaction of water vapor with
individual pore is very important in these researches. Mathematical modelling
occupies an important place in these investigations. In this work, a study of
efficiency of various implementations algorithms for MD simulation of water
vapor interaction with individual pore is carried out. A great disadvantage of
MD is its requirement of a relatively large computational effort and long time
in simulations. These problems can be drastically reduced by parallel
calculations. In this work we investigate dependence of time required for
simulations on different parameters, like number of particles in the system,
shape of pores, and so on. The results of parallel calculations are compared
with the results obtained by serial calculations.
