mirror of https://gitlab.com/QEF/q-e.git
85 lines
2.2 KiB
Fortran
85 lines
2.2 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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#include "f_defs.h"
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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, cgather_sym, cscatter_sym
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USE io_global, ONLY : ionode, ionode_id
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USE mp_global, ONLY : inter_pool_comm, me_pool
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USE mp, ONLY : mp_bcast, mp_barrier
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USE gvect, ONLY : nrx1, nrx2, nrx3, nrxx
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USE lsda_mod, ONLY : nspin
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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(nrxx,nspin)
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!
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#ifdef __PARA
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!
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! ... local variables
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!
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INTEGER :: itmp, proc, is, dim
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COMPLEX(DP), ALLOCATABLE :: ddrho(:,:)
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!
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!
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ALLOCATE( ddrho( nrx1 * nrx2 * nrx3 , nspin) )
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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
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!
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CALL cgather_sym( 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()
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!
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IF ( ionode ) CALL davcio( ddrho, lrec, iunit, nrec, + 1 )
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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 ) CALL davcio( ddrho, lrec, iunit, nrec, - 1 )
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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
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!
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CALL cscatter_sym ( 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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