mirror of https://gitlab.com/QEF/q-e.git
82 lines
2.9 KiB
Fortran
82 lines
2.9 KiB
Fortran
!
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! Copyright (C) 2002 FPMD group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!=----------------------------------------------------------------------------=!
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! AB INITIO COSTANT PRESSURE MOLECULAR DYNAMICS
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! ----------------------------------------------
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! Car-Parrinello Parallel Program
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! Last modified: Tue Nov 20 10:50:18 CET 2001
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! by Carlo Cavazzoni
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! ----------------------------------------------
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!=----------------------------------------------------------------------------=!
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MODULE real_space_mesh
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!=----------------------------------------------------------------------------=!
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USE kinds
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USE parallel_types, ONLY: processors_grid, descriptor, BLOCK_PARTITION_SHAPE
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USE processors_grid_module, ONLY: grid_init, get_grid_info, calculate_grid_dims
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USE descriptors_module, ONLY: desc_init, get_local_dims
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USE grid_dimensions, ONLY: nr1, nr2, nr3, nr1x, nr2x, nr3x
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USE grid_dimensions, ONLY: nr1l, nr2l, nr3l, nnrx
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USE smooth_grid_dimensions, ONLY: nr1s, nr2s, nr3s, nr1sx, nr2sx, nr3sx
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USE smooth_grid_dimensions, ONLY: nr1sl, nr2sl, nr3sl, nnrsx
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USE smallbox_grid_dimensions, ONLY: nr1b, nr2b, nr3b, nr1bx, nr2bx, nr3bx, nnrbx
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USE smallbox_grid_dimensions, ONLY: nr1bl, nr2bl, nr3bl
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IMPLICIT NONE
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SAVE
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PRIVATE
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TYPE (processors_grid) :: real_space_grid
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LOGICAL :: depend = .FALSE.
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PUBLIC :: real_space_grid, realspace_procgrid_init
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!=----------------------------------------------------------------------------=!
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CONTAINS
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!=----------------------------------------------------------------------------=!
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! ----------------------------------------------
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! BEGIN manual
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SUBROUTINE realspace_procgrid_init( twod_grid )
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! This subroutines defines the processors grid for the real space data
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! distribution.
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! END manual
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! ----------------------------------------------
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USE mp_global, ONLY: nproc, group, mpime
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LOGICAL, INTENT(IN), OPTIONAL :: twod_grid
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INTEGER :: npx, npy, npz
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! ..
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npx = 1
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npy = 1
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npz = nproc
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IF ( PRESENT( twod_grid ) ) THEN
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IF( twod_grid ) CALL calculate_grid_dims(nproc, npy, npz)
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END IF
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CALL grid_init( real_space_grid, group, nproc, mpime, npx, npy, npz )
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IF ( ( npy * npz * npx ) /= nproc ) THEN
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CALL errore(" real_space_mesh_setup "," npx*npy*npz .ne. nproc ", npx*npy*npz)
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END IF
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depend = .TRUE.
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RETURN
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END SUBROUTINE realspace_procgrid_init
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!=----------------------------------------------------------------------------=!
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END MODULE real_space_mesh
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!=----------------------------------------------------------------------------=!
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