Function values are also calculated in parallel in (M - 1) subintervals with less probability. This is the first level of parallelism To define a mesh point of a next iteration, MGSA finds a subinterval with the most probable location of the minimum and computes an objective function value in a certain point of this subinterval. Function values in N different mesh points are computed in parallel. To decrease the effect of losing information of multi-dimensional points proximity, N scans are used. Our software implements two levels of parallelism To deal with function of multiple variables, one uses a scan for mapping a multidimensional domain of definition of a function into a one-dimensional segment. One is able to speed up computation by obtaining not only one but several function values in various points simultaneously. In case of ReaxFF optimization, computation time of an objective function value significantly exceeds time of data exchange between parallel processes. In this contribution a parallel program is presented that implements the algorithm above applied to ReaxFF MD force field parameters search. In this contribution we research scalability of our MGSA implementation, namely, the dependence of the number of algorithm iterations and time it needs to converge on the number of CPU cores used, separately for each level of parallelism.Ībstract = 'Strongin's multifactorial global search algorithm (MGSA) allows one to find an absolute minimum of a function of multiple variables on a mesh. N function values in parallel each iteration.This is the second level of parallelism Thus the two levels allow one to compute M

Strongin's multifactorial global search algorithm (MGSA) allows one to find an absolute minimum of a function of multiple variables on a mesh.

Force parallels update