Molecular Docking for Ligand-Receptor Binding Process Based on Heterogeneous Computing

Figure 4

Implementation of master-slave mode in a single group. MPI calls are paired by boxes of the same color and connected by arrows. count is the number of docking tasks that have been completed. N_job is the number of docking tasks. jobFlag represents the task status, that is, whether there are undistributed tasks. slaveNum is the number of slave processes in a group. slaveNum equals p in equation (6).