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degironc authored
In real space processors are organized in a 2D pattern. Each processor owns data from a sub-set of Z-planes and a sub-set of Y-planes. In reciprocal space each processor owns Z-columns that belong to a sub set of X-values. This allows to split the processors in two sets for communication in the YZ and XY planes. In alternative, if the situation allows for it, a task group paralelization is used (with ntg=nyfft) where complete XY planes of ntg wavefunctions are collected and Fourier trasnformed in G space by different task-groups. This is preferable to the Z-proc + Y-proc paralleization if task group can be used because a smaller number of larger ammounts of data are transferred. Hence three types of fft are implemented: ! !! ... isgn = +-1 : parallel 3d fft for rho and for the potential ! !! ... isgn = +-2 : parallel 3d fft for wavefunctions ! !! ... isgn = +-3 : parallel 3d fft for wavefunctions with task group ! !! ... isgn = + : G-space...
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