[Wien] MPI parallelization and block cyclic data layout in lapw1

[MingWenmei]

Dear all,

 

I am studying the source code of Wien2k. I am eager to understand how the MPI parallelization was implemented in lapw1. Especially, can anyone give me some detailed reference on how the hamilton(H) and overlap(S) matrix elements are mapped onto the two dimension processor grid to form the block cyclic data layout in the subroutine Hamilt? 

 

Thanks very much. 

 

Wenmei Ming 


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