COST_MODEL |
|
| COST_MODEL BLOCK_COUNT
|
| The cost model that needs to be minimized
|
| This optional keyword expects a keyword. Default value: BLOCK_SURFACE
|
| valid keywords: BLOCK_COUNT : the number of blocks
BLOCK_SURFACE : the number of blocks weighted by the number elements per block
BLOCK_LMAX : the number of blocks weighted by the sum of the lmax
|
2D_MOLECULAR_DISTRIBUTION |
|
| 2D_MOLECULAR_DISTRIBUTION TRUE
|
| Distribute the atoms so that atoms belonging to a given moleculeare on the same CPU for the 2D distribution. This might give rise to aworse distribution but reduces memory needs of finding the optimal distribution.This is also a required option for KG models.
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SKIP_OPTIMIZATION |
|
| SKIP_OPTIMIZATION TRUE
|
| Do not optimize the distribution, go for something very simple. Might be useful if the optimization, which scales quadratically in system size, is too expensive.
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SYMMETRIC |
|
| SYMMETRIC TRUE
|
| Take the symmetry of the distribution_2d into account.
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: T
|