Back to the main page of this manual | Input reference of CP2K version 7.0 |
ELPA_FORCE_REDISTRIBUTE {Logical} | |
Controls how to perform redistribution when ELPA is used for diagonalization. By default, matrices are redistributed only to prevent crashes in the ELPA library which happen when the original matrix is distributed on too many processors. By turning on this keyword, redistribution is always performed using the defined rules. [Edit] | |
This keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
PARAMETER_A {Integer} | |
Parameter used for defining the rule which determines the optimal number of CPUs needed to diagonalize a full distributed matrix. The optimal number of CPUs will be an integer multiple of this variable. [Edit] | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value: 4 |
PARAMETER_X {Integer} | |
Parameter used for defining the rule which determines the optimal number of CPUs needed to diagonalize a full distributed matrix. The optimal number of CPUs will be roughly proportional to this value. [Edit] | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value: 60 |
PRINT_FM_REDISTRIBUTE {Logical} | |
Controls printing of information related to this section. For each diagonalized matrix, prints the size of the matrix, the optimal number of CPUs, as well as notifies if the matrix was redistributed. Useful for testing. [Edit] | |
This 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: 18.2.2019) |