| Back to the main page of this manual | Input reference of CP2K version 2.1.820 |
| DEBUG | |
| Do the FFT in debug mode in all cases | |
| This optional keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| GRID_DIMENSIONS 128 128 128 | |
| Specify the number of grid points (not all grid points are allowed) | |
| This optional keyword cannot be repeated and it expects precisely 3 integers. | |
| Default values: 128 128 128 |
| N_LOOP 100 | |
| Number of pw_transfers (backward&forward) being timed | |
| This optional keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 100 |
| PW_GRID NS-FULLSPACE | |
| What kind of PW_GRID should be employed | |
| This optional keyword cannot be repeated and it expects precisely one keyword. | |
| Default value: NS-FULLSPACE | |
List of valid keywords:
|
| 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 cannot be repeated and it expects precisely one keyword. | |
| Default value: FALSE | |
List of valid keywords:
|
| PW_GRID_LAYOUT | |
| Expert use only, leave the default...Can be used to set the distribution for ray-distributed FFT. | |
| This optional keyword cannot be repeated and it expects precisely 2 integers. | |
| Default values: -1 -1 |
| PW_GRID_LAYOUT_ALL | |
| loop overal all PW_GRID_LAYOUTs that are compatible with a given number of CPUs | |
| This optional keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| Back to the main page of this manual or the CP2K home page | (Last update: 30.1.2012) |