URS-OF PROGRAM LIBRARY FOR CALCULATION OF MATERIAL PROPERTIES ADAPTED TO COMPUTING SYSTEMS CAPABLE OF PARALLEL AND VECTORIZED CALCULATIONS

D. G. Gordeev, N. N. Zhilnikova, D. N. Kidyamkina, V. G. Kudelkin, M. V. Kulikova, O. N. Shumilina
VANT. Ser.: Mat. Mod. Fiz. Proc 2022. Вып.1. С. 27-39.

      The paper presents the description of data structures, arrangement of codes and calculations in the vectorized version of URS-OF library that allows carrying out parallel shared- memory computations of thermophysical functions in OpenMP standard. The protocol for coordination between URS-OF library and an application code and paralleling techniques are described. Examples are given that illustrate the specifics of paralleling conditional structures and iterative loops with the use of mask arrays, as well as the paralleling of the SuperURS-type codes. Results of the performance analysis are represented as the acceleration metric due to optimization; results of the scalability study performed with the problem partition method are represented by the paralleling efficiency metric.