The CP2K project : input section PW_TRANSFER

Section PW_TRANSFER

Index of all sections. This section is located at __ROOT__%TEST%PW_TRANSFER.

Benchmark and test the pw_transfer routines. This section can be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

GRID
GRID_DIMENSIONS 128 128 128
Specify the number of grid points (not all grid points are allowed)
This optional keyword expects precisely 3 integers. Default value: 128 128 128
N_LOOP
N_LOOP 100
Number of pw_transfers (backward&forward) being timed
This optional keyword expects an integer. Default value: 100
PW_GRID
PW_GRID NS-FULLSPACE
What kind of PW_GRID should be employed
This optional keyword expects a keyword. Default value: NS-FULLSPACE
valid keywords:
  • SPHERICAL: - not tested
  • NS-FULLSPACE: tested
  • NS-HALFSPACE: - not tested
PW_GRID_LAYOUT_ALL
PW_GRID_LAYOUT_ALL
loop overal all PW_GRID_LAYOUTs that are compatible with a given number of CPUs
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
DEBUG
DEBUG
Do the FFT in debug mode in all cases
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
PW_GRID_LAYOUT
PW_GRID_LAYOUT
Expert use only, leave the default...Can be used to set the distribution for ray-distributed FFT.
This optional keyword expects precisely 2 integers. Default value: -1 -1
PW_GRID_BLOCKED
PW_GRID_BLOCKED FREE
Expert use only, leave the default...Can be used to set the distribution in g-space for the pw grids and their FFT.
This optional keyword expects a keyword. Default value: FALSE
valid keywords:
  • FREE: CP2K will select the optimal value
  • TRUE: blocked
  • FALSE: not blocked


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