... | ... | @@ -60,7 +60,7 @@ and we execute code with `np=24` processes: |
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```bash
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mpirun -np 24 ./st-wslda-3d input.txt
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```
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For these settings, the single interaction requires $NZ/2=6$ diagonalizations. The total set of processes will be dived into subgroups, each of size `p*q=6`. Thus the number of subgroups will be `24/6=4`. Each submatrix will be decomposed in block-cyclic fashion among `p*q` processes as in 3D case.
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For these settings, the single iteration requires `NZ/2=6` diagonalizations. The total set of processes will be dived into subgroups, each of size `p*q=6`. Thus the number of subgroups will be `24/6=4`. Each submatrix will be decomposed in block-cyclic fashion among `p*q` processes as in 3D case.
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This information is provided in the code output:
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```
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# CODE: ST-WSLDA-2D
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... | ... | @@ -81,7 +81,7 @@ This information is provided in the code output: |
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# CREATING CBLACS GRIDs OF SIZE (pzheev): [2 x 3]
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```
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Note that here hamiltonian size means the size of submatrix `160=2*8*10`.
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The computation process for single interaction is presented schematically in the figure below:
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The computation process for single iteration is presented schematically in the figure below:
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![pscheme-2d](uploads/4792eecc243913bfd2e18d0fef09c90e/pscheme-2d.png)
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and it is reflected in the code output:
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