IMPLEMENTATION OF DYNAMIC BALANCE ALGORITHM BETWEEN CPU AND INTEL’S MIC COPROCESSOR IN MOLECULAR MODELING PACKAGE CP2K
In article, implementation of dynamic balancing and work-sharing between CPU and coprocessor algorithm of the matrix calculations from molecular modeling package CP2K is considered. Vector instructions of SSE and AVX of general-purpose processors, and also the instructions of Intel MIC SIMD of the Intel Xeon PHI coprocessor are used. Development of algorithms carried out in the language of Fortran, testing was held on multicore system with 2 coprocessors. Analyzed the performance of the algorithm implementation and measured the performance of the library.