| Back to the main page of this manual | Input reference of CP2K version 6.1 (Revision svn:18464) |
| FORCE_BLOCK_SIZE {Logical} | |
| Ensure for small matrices that the layout is compatible with bigger ones, i.e. no subdivision is performed (can break LAPACK!!!). | |
| This keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| NCOL_BLOCKS {Integer} | |
| Defines the number of columns per scalapack block in the creation of vlock cyclic dense matrices | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 32 |
| NROW_BLOCKS {Integer} | |
| Defines the number of rows per scalapack block in the creation of block cyclic dense matrices | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 32 |
| TYPE_OF_MATRIX_MULTIPLICATION {Keyword} | |
| Allows to switch between scalapack pdgemm and dbcsr_multiply. On normal systems pdgemm is recommended on system with GPU is optimized and can give better performance. NOTE: if DBCSR is employed FORCE_BLOCK_SIZE should be set. The perfomance on GPU's dependes crucially on the BLOCK_SIZES. Make sure optimized kernels are available. | |
| This keyword cannot be repeated and it expects precisely one keyword. | |
| Default value: PDGEMM | |
List of valid keywords:
|
| Back to the main page of this manual or the CP2K home page | (Last update: 12.6.2018) |