mirror of https://gitlab.com/QEF/q-e.git
94 lines
2.4 KiB
Fortran
94 lines
2.4 KiB
Fortran
!
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! Copyright (C) 2001-2004 PWSCF 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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!----------------------------------------------------------------------------
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SUBROUTINE davcio_drho( drho, lrec, iunit, nrec, isw )
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!----------------------------------------------------------------------------
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!
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! ... reads/writes variation of the charge with respect to a perturbation
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! ... on a file.
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! ... isw = +1 : gathers data from the processors, writes to a single file
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! ... isw = -1 : reads data from a single file and distributes them
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!
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USE kinds, ONLY : DP
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USE fft_base, ONLY : dfftp
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USE scatter_mod, ONLY : gather_grid, scatter_grid
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USE io_global, ONLY : ionode, ionode_id
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USE mp_pools, ONLY : inter_pool_comm, me_pool
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USE mp_images, ONLY : intra_image_comm
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USE mp, ONLY : mp_bcast, mp_barrier
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USE noncollin_module, ONLY : nspin_mag
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!
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IMPLICIT NONE
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!
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INTEGER :: iunit, lrec, nrec, isw
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COMPLEX(DP) :: drho(dfftp%nnr,nspin_mag)
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!
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#ifdef __MPI
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!
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! ... local variables
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!
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INTEGER :: is
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LOGICAL :: exst
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COMPLEX(DP), ALLOCATABLE :: ddrho(:,:)
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!
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!
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IF ( ionode ) INQUIRE (UNIT = iunit, OPENED = exst)
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CALL mp_bcast(exst,ionode_id, intra_image_comm)
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IF (.NOT.exst) RETURN
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ALLOCATE( ddrho( dfftp%nr1x*dfftp%nr2x*dfftp%nr3x , nspin_mag) )
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!
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IF ( isw == 1 ) THEN
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!
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! ... First task is the only task allowed to write the file
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!
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DO is = 1, nspin_mag
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!
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CALL gather_grid( dfftp, drho(:,is), ddrho(:,is) )
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!
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END DO
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!
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call mp_barrier(intra_image_comm)
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!
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IF ( ionode ) THEN
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CALL davcio( ddrho, lrec, iunit, nrec, + 1 )
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END IF
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!
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ELSE IF ( isw < 0 ) THEN
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!
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! ... First task reads and broadcasts ddrho to all pools
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!
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IF ( ionode ) THEN
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CALL davcio( ddrho, lrec, iunit, nrec, - 1 )
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ENDIF
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!
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CALL mp_bcast( ddrho, ionode_id, inter_pool_comm )
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!
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! ... distributes ddrho between between the tasks of the pool
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!
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DO is = 1, nspin_mag
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!
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CALL scatter_grid ( dfftp, ddrho(:,is), drho(:,is) )
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!
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END DO
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!
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END IF
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!
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DEALLOCATE( ddrho )
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!
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#else
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!
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CALL davcio( drho, lrec, iunit, nrec, isw )
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! !
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#endif
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!
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RETURN
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!
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END SUBROUTINE davcio_drho
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