Commit 2cf89a49 authored by Gregor Michalicek's avatar Gregor Michalicek

Remove writing of total and exchange potential to disc in main/vgen.F90

Also in this commit: Removal of mpi/mpi_bc_pot.F90 as it is replaced by mpi/mpi_bc_potden.F90
parent ce154e54
......@@ -45,7 +45,6 @@ CONTAINS
USE m_force_a4
USE m_force_a3
USE m_forcew
USE m_pot_io
USE m_cdn_io
USE m_types
USE m_xmlOutput
......
......@@ -34,7 +34,6 @@ CONTAINS
USE m_checkdop
USE m_wrtdop
USE m_cdn_io
USE m_pot_io
USE m_qfix
USE m_types
USE m_od_vvac
......@@ -824,19 +823,13 @@ CONTAINS
vTot%vacxy(:,:,2,:)=vTot%vacxy(:,:,1,:)
ENDIF
ENDIF
CALL writePotential(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,POT_ARCHIVE_TYPE_TOT_const,&
vTot%iter,vTot%mt,vTot%pw,vTot%vacz,vTot%vacxy)
DO js=1,input%jspins
DO i=1,stars%ng3
vx%pw(i,js)=vxpw_w(i,js)/stars%nstr(i)
ENDDO
ENDDO
vx%iter = vTot%iter
CALL writePotential(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,POT_ARCHIVE_TYPE_X_const,&
vx%iter,vx%mt,vx%pw,vTot%vacz,vTot%vacxy)
END IF
ENDIF ! mpi%irank == 0
......
......@@ -4,7 +4,6 @@ if (${FLEUR_USE_MPI})
set(fleur_F90 ${fleur_F90}
mpi/mingeselle.F90
mpi/mpi_bc_all.F90
mpi/mpi_bc_pot.F90
mpi/mpi_bc_potden.F90
mpi/mpi_bc_coreDen.F90
mpi/mpi_bc_st.F90
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_mpi_bc_pot
CONTAINS
SUBROUTINE mpi_bc_pot(mpi,stars,sphhar,atoms,input,vacuum,&
iter,fr,fpw,fz,fzxy)
USE m_types
IMPLICIT NONE
INCLUDE 'mpif.h'
TYPE(t_mpi),INTENT(IN) :: mpi
TYPE(t_input),INTENT(IN) :: input
TYPE(t_vacuum),INTENT(IN) :: vacuum
TYPE(t_stars),INTENT(IN) :: stars
TYPE(t_sphhar),INTENT(IN) :: sphhar
TYPE(t_atoms),INTENT(IN) :: atoms
INTEGER, INTENT (INOUT) :: iter
COMPLEX, INTENT (INOUT) :: fpw(stars%ng3,input%jspins)
COMPLEX, INTENT (INOUT) :: fzxy(vacuum%nmzxyd,stars%ng2-1,2,input%jspins)
REAL, INTENT (INOUT) :: fr(atoms%jmtd,0:sphhar%nlhd,atoms%ntype,input%jspins)
REAL, INTENT (INOUT) :: fz(vacuum%nmzd,2,input%jspins)
INTEGER :: n, ierr(3)
CALL MPI_BCAST(iter,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
n = stars%ng3 * input%jspins
CALL MPI_BCAST(fpw,n,MPI_DOUBLE_COMPLEX,0,mpi%mpi_comm,ierr)
n = vacuum%nmzxyd * (stars%ng2-1) * 2 * input%jspins
CALL MPI_BCAST(fzxy,n,MPI_DOUBLE_COMPLEX,0,mpi%mpi_comm,ierr)
n = atoms%jmtd * (sphhar%nlhd+1) * atoms%ntype * input%jspins
CALL MPI_BCAST(fr,n,MPI_DOUBLE,0,mpi%mpi_comm,ierr)
n = vacuum%nmzd * 2 * input%jspins
CALL MPI_BCAST(fz,n,MPI_DOUBLE,0,mpi%mpi_comm,ierr)
END SUBROUTINE mpi_bc_pot
END MODULE m_mpi_bc_pot
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