PW_TRANSFER

Section can be repeated.

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

Keywords

Keyword descriptions

DEBUG: logical = F

Lone keyword: T

Usage: DEBUG

Do the FFT in debug mode in all cases [Edit on GitHub]

GRID: integer[3] = 128 128 128

Usage: GRID_DIMENSIONS 128 128 128

Specify the number of grid points (not all grid points are allowed) [Edit on GitHub]

N_LOOP: integer = 100

Usage: N_LOOP 100

Number of pw_transfers (backward&forward) being timed [Edit on GitHub]

PW_GRID: enum = NS-FULLSPACE

Usage: PW_GRID NS-FULLSPACE

Valid values:

  • SPHERICAL

    • not tested

  • NS-FULLSPACE tested

  • NS-HALFSPACE

    • not tested

What kind of PW_GRID should be employed [Edit on GitHub]

PW_GRID_BLOCKED: enum = FALSE

Usage: PW_GRID_BLOCKED FREE

Valid values:

  • FREE CP2K will select the optimal value

  • TRUE blocked

  • FALSE not blocked

Expert use only, leave the default… Can be used to set the distribution in g-space for the pw grids and their FFT. [Edit on GitHub]

PW_GRID_LAYOUT: integer[2] = -1 -1

Usage: PW_GRID_LAYOUT

Expert use only, leave the default… Can be used to set the distribution for ray-distributed FFT. [Edit on GitHub]

PW_GRID_LAYOUT_ALL: logical = F

Lone keyword: T

Usage: PW_GRID_LAYOUT_ALL

loop overal all PW_GRID_LAYOUTs that are compatible with a given number of CPUs [Edit on GitHub]