ParParTrack: Implementation of a parallel particle tracking for mass transport simulation
With detailed CFD simulations, the three-dimensional velocity field can be obtained. For applications in chemical engineering, besides the simulation of the flow field in chemical reactors, the understanding of the mass transport processes is of importance. The tracking of tracer particles (Lagrangian approach) is a method for such mass transport investigations and suitable for high Peclet numbers. The existing serial particle tracking code is computational expensive (high wallclock time for large number of particles) and not suited for large geometries.
Therefore, the serial version of the particle tracking was re-implemented and parallelised on a single compute node with OpenMP (divide particles over cores). It is necessary to use suitable PRNGs and formulas for parallel evaluation of the moments of particle coordinates that are used for the calculation of dispersion coefficients. The parallelisation between the nodes was carried out with MPI; for velocity fields larger than the available memory a load on demand approach was implemented.
- KONWIHR funding: two months during Multicore-Software-Initiative 2009/2010
- Prof. Dr. Wilhelm Schwieger, Lehrstuhl für Chemische Reaktionstechnik, Uni-Erlangen