Hybrid programming with MPI & OpenMP - Prace Training Portal
Hybrid programming with MPI & OpenMP - Prace Training Portal
Hybrid programming with MPI & OpenMP - Prace Training Portal
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Understanding QE 3DFFT,task groupsP0G0G1P1P2G2P3pis(i)G3Number of electronic statesdo i = 1, ndo i = 1, n/groupsize, groupsizecompute 3D FFT( psi(i) )merge( psi( i ), psi( i + 1 ), … , &end do psi( i + groupsize - 1) )compute groupsize 3D FFT(at the same time)Single electron wave functionsend do24