Section PW_TRANSFER

• Benchmark and test the pw_transfer routines.

• Section path: CP2K_INPUT / TEST / PW_TRANSFER

• This section can be repeated.

• Subsections

  • none

• Keywords

  • DEBUG
  • GRID
  • N_LOOP
  • PW_GRID
  • PW_GRID_BLOCKED
  • PW_GRID_LAYOUT
  • PW_GRID_LAYOUT_ALL

• Keyword descriptions

  DEBUG
  	DEBUG {Logical}
  	Do the FFT in debug mode in all cases
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  GRID
  	GRID {Integer} {Integer} {Integer}
  	Specify the number of grid points (not all grid points are allowed)
  	This keyword cannot be repeated and it expects precisely 3 integers.
  	Default values: 128 128 128

  N_LOOP
  	N_LOOP {Integer}
  	Number of pw_transfers (backward&forward) being timed
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 100

  PW_GRID
  	PW_GRID {Keyword}
  	What kind of PW_GRID should be employed
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: NS-FULLSPACE
  	List of valid keywords: NS-FULLSPACE tested NS-HALFSPACE - not tested SPHERICAL - not tested

  PW_GRID_BLOCKED
  	PW_GRID_BLOCKED {Keyword}
  	Expert use only, leave the default...Can be used to set the distribution in g-space for the pw grids and their FFT.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: FALSE
  	List of valid keywords: FALSE not blocked FREE CP2K will select the optimal value TRUE blocked

  PW_GRID_LAYOUT
  	PW_GRID_LAYOUT {Integer} {Integer}
  	Expert use only, leave the default...Can be used to set the distribution for ray-distributed FFT.
  	This keyword cannot be repeated and it expects precisely 2 integers.
  	Default values: -1 -1

  PW_GRID_LAYOUT_ALL
  	PW_GRID_LAYOUT_ALL {Logical}
  	loop overal all PW_GRID_LAYOUTs that are compatible with a given number of CPUs
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.