mirror of https://gitlab.com/QEF/q-e.git
122 lines
3.4 KiB
Fortran
122 lines
3.4 KiB
Fortran
!
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! Copyright (C) 2007 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 el_ph_collect( nmodes, el_ph_mat, el_ph_mat_collect, nksqtot, nksq )
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!----------------------------------------------------------------------------
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!
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! ... This routine collects the electron-phonon matrix elements.
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!
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USE io_global, only : stdout
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USE kinds, ONLY : DP
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USE mp_pools, ONLY : my_pool_id, npool, kunit, inter_pool_comm
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USE mp, ONLY : mp_sum
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USE ions_base, ONLY : nat
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USE wvfct, ONLY : nbnd
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!
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IMPLICIT NONE
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!
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INTEGER :: nksqtot, nksq, nmodes
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! total number of k-points
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! number of k-points per pool
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COMPLEX (DP) :: el_ph_mat(nbnd,nbnd,nksq,nmodes)
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COMPLEX (DP) :: el_ph_mat_collect(nbnd,nbnd,nksqtot,nmodes)
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! electron-phonon matrix elements
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! collected electron-phonon matrix elements
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!
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#if defined (__MPI)
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!
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INTEGER :: nbase, rest, nks1
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!
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el_ph_mat_collect=(0.0_DP, 0.0_DP)
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!
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nks1 = ( nksqtot / npool )
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!
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rest = ( nksqtot - nks1 * npool )
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!
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IF ( ( my_pool_id + 1 ) <= rest ) nks1 = nks1 + 1
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!
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IF (nks1.ne.nksq) &
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call errore('el_ph_collect','problems with nks1',1)
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!
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! ... calculates nbase = the position in the list of the first point that
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! ... belong to this npool - 1
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!
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nbase = nksq * my_pool_id
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!
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IF ( ( my_pool_id + 1 ) > rest ) nbase = nbase + rest
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!
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! copy the original points in the correct position of the list
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!
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el_ph_mat_collect(:,:,nbase+1:nbase+nksq,:) = el_ph_mat(:,:,1:nksq,:)
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!
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CALL mp_sum( el_ph_mat_collect, inter_pool_comm )
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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 el_ph_collect
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!----------------------------------------------------------------------------
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SUBROUTINE el_ph_distribute( nmodes, el_ph_mat, el_ph_mat_collect, nksqtot, nksq )
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!----------------------------------------------------------------------------
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!
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! ... This routine distributes the electron-phonon matrix elements.
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!
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USE io_global, only : stdout
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USE kinds, ONLY : DP
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USE mp_pools, ONLY : my_pool_id, npool, kunit, inter_pool_comm
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USE mp, ONLY : mp_sum
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USE ions_base, ONLY : nat
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USE wvfct, ONLY : nbnd
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!
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IMPLICIT NONE
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!
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INTEGER :: nksqtot, nksq, nmodes
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! total number of k-points
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! number of k-points per pool
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! number of perturbation
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COMPLEX (DP) :: el_ph_mat(nbnd,nbnd,nksq,nmodes)
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COMPLEX (DP) :: el_ph_mat_collect(nbnd,nbnd,nksqtot,nmodes)
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! electron-phonon matrix elements
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! collected electron-phonon matrix elements
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!
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#if defined (__MPI)
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!
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INTEGER :: nbase, rest, nks1
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!
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el_ph_mat=(0.0_DP, 0.0_DP)
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!
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nks1 = ( nksqtot / npool )
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!
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rest = ( nksqtot - nks1 * npool )
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!
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IF ( ( my_pool_id + 1 ) <= rest ) nks1 = nks1 + 1
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!
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IF (nks1.ne.nksq) &
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call errore('el_ph_distribute','problems with nks1',1)
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!
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! ... calculates nbase = the position in the list of the first point that
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! ... belong to this npool - 1
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!
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nbase = nksq * my_pool_id
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!
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IF ( ( my_pool_id + 1 ) > rest ) nbase = nbase + rest
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!
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! copy the original points in the correct position of the list
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!
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el_ph_mat(:,:,1:nksq,:) = el_ph_mat_collect(:,:,nbase+1:nbase+nksq,:)
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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 el_ph_distribute
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