Line data    Source code

       1             : !--------------------------------------------------------------------------------------------------!
       2             : !   CP2K: A general program to perform molecular dynamics simulations                              !
       3             : !   Copyright 2000-2024 CP2K developers group <https://cp2k.org>                                   !
       4             : !                                                                                                  !
       5             : !   SPDX-License-Identifier: GPL-2.0-or-later                                                      !
       6             : !--------------------------------------------------------------------------------------------------!
       7             : 
       8             : ! **************************************************************************************************
       9             : !> \note
      10             : !>      Routine to initialize a real space grid from a given input section
      11             : !> \par History
      12             : !>      01.2014 moved routine from realspace_grid_types into separate file.
      13             : !> \author Ole Schuett
      14             : ! **************************************************************************************************
      15             : MODULE cp_realspace_grid_init
      16             :    USE input_section_types,             ONLY: section_vals_get,&
      17             :                                               section_vals_type,&
      18             :                                               section_vals_val_get
      19             :    USE realspace_grid_types,            ONLY: realspace_grid_input_type,&
      20             :                                               rsgrid_automatic,&
      21             :                                               rsgrid_replicated
      22             : #include "./base/base_uses.f90"
      23             : 
      24             :    IMPLICIT NONE
      25             : 
      26             :    PRIVATE
      27             : 
      28             :    PUBLIC :: init_input_type
      29             : 
      30             :    CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'cp_realspace_grid_init'
      31             : 
      32             : CONTAINS
      33             : 
      34             : ! **************************************************************************************************
      35             : !> \brief parses an input section to assign the proper values to the input type
      36             : !> \param input_settings ...
      37             : !> \param nsmax ...
      38             : !> \param rs_grid_section ...
      39             : !> \param ilevel ...
      40             : !> \param higher_grid_layout the layout of a higher level grid. layouts with
      41             : !>       negative or zero values are ignored
      42             : !> \par History
      43             : !>      01.2008 created [Joost VandeVondele]
      44             : !> \note
      45             : !>      if rs_grid_section is not present we setup for an replicated setup
      46             : ! **************************************************************************************************
      47      121120 :    SUBROUTINE init_input_type(input_settings, nsmax, rs_grid_section, ilevel, higher_grid_layout)
      48             :       TYPE(realspace_grid_input_type), INTENT(OUT)       :: input_settings
      49             :       INTEGER, INTENT(IN)                                :: nsmax
      50             :       TYPE(section_vals_type), OPTIONAL, POINTER         :: rs_grid_section
      51             :       INTEGER, INTENT(IN)                                :: ilevel
      52             :       INTEGER, DIMENSION(3), INTENT(IN)                  :: higher_grid_layout
      53             : 
      54             :       INTEGER                                            :: isection, max_distributed_level, nsection
      55       30280 :       INTEGER, DIMENSION(:), POINTER                     :: tmp
      56             : 
      57       30280 :       IF (PRESENT(rs_grid_section)) THEN
      58       30280 :          input_settings%nsmax = nsmax
      59             :          ! we use the section corresponding to the level, or the largest available one
      60             :          ! i.e. the last section defines all following ones
      61       30280 :          CALL section_vals_get(rs_grid_section, n_repetition=nsection)
      62       30280 :          isection = MAX(1, MIN(ilevel, nsection))
      63             :          CALL section_vals_val_get(rs_grid_section, "DISTRIBUTION_TYPE", &
      64             :                                    i_rep_section=isection, &
      65       30280 :                                    i_val=input_settings%distribution_type)
      66             :          CALL section_vals_val_get(rs_grid_section, "DISTRIBUTION_LAYOUT", &
      67             :                                    i_rep_section=isection, &
      68       30280 :                                    i_vals=tmp)
      69      121120 :          input_settings%distribution_layout = tmp
      70             :          CALL section_vals_val_get(rs_grid_section, "MEMORY_FACTOR", &
      71             :                                    i_rep_section=isection, &
      72       30280 :                                    r_val=input_settings%memory_factor)
      73             :          CALL section_vals_val_get(rs_grid_section, "HALO_REDUCTION_FACTOR", &
      74             :                                    i_rep_section=isection, &
      75       30280 :                                    r_val=input_settings%halo_reduction_factor)
      76             :          CALL section_vals_val_get(rs_grid_section, "LOCK_DISTRIBUTION", &
      77             :                                    i_rep_section=isection, &
      78       30280 :                                    l_val=input_settings%lock_distribution)
      79             :          CALL section_vals_val_get(rs_grid_section, "MAX_DISTRIBUTED_LEVEL", &
      80             :                                    i_rep_section=isection, &
      81       30280 :                                    i_val=max_distributed_level)
      82             : 
      83             :          ! multigrids that are to coarse are not distributed in the automatic scheme
      84       30280 :          IF (input_settings%distribution_type == rsgrid_automatic) THEN
      85       29574 :             IF (ilevel > max_distributed_level) THEN
      86       12590 :                input_settings%distribution_type = rsgrid_replicated
      87             :             END IF
      88             :          END IF
      89             :       END IF
      90       30280 :       IF (input_settings%lock_distribution) THEN
      91       30658 :          IF (ALL(higher_grid_layout > 0)) input_settings%distribution_layout = higher_grid_layout
      92             :       END IF
      93       30280 :    END SUBROUTINE init_input_type
      94             : 
      95             : END MODULE cp_realspace_grid_init