PW_TRANSFER

Section can be repeated.

Benchmark and test the pw_transfer routines. [Edit on GitHub]

Keywords

Keyword descriptions

DEBUG

Type: logical
Default: F
Lone keyword: T
Usage: DEBUG

Description: Do the FFT in debug mode in all cases

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GRID

Type: integer[3]
Default: 128 128 128
Usage: GRID_DIMENSIONS 128 128 128

Description: Specify the number of grid points (not all grid points are allowed)

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N_LOOP

Type: integer
Default: 100
Usage: N_LOOP 100

Description: Number of pw_transfers (backward&forward) being timed

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PW_GRID

Type: enum
Default: NS-FULLSPACE
Usage: PW_GRID NS-FULLSPACE

Description: What kind of PW_GRID should be employed

Valid values:

  • SPHERICAL

    • not tested

  • NS-FULLSPACE tested

  • NS-HALFSPACE

    • not tested

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PW_GRID_BLOCKED

Type: enum
Default: FALSE
Usage: PW_GRID_BLOCKED FREE

Description: Expert use only, leave the default… Can be used to set the distribution in g-space for the pw grids and their FFT.

Valid values:

  • FREE CP2K will select the optimal value

  • TRUE blocked

  • FALSE not blocked

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PW_GRID_LAYOUT

Type: integer[2]
Default: -1 -1
Usage: PW_GRID_LAYOUT

Description: Expert use only, leave the default… Can be used to set the distribution for ray-distributed FFT.

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PW_GRID_LAYOUT_ALL

Type: logical
Default: F
Lone keyword: T
Usage: PW_GRID_LAYOUT_ALL

Description: loop overal all PW_GRID_LAYOUTs that are compatible with a given number of CPUs

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