Commit 2b90c99b authored by Uliana Alekseeva's avatar Uliana Alekseeva

all MPI procs now call cdnmt.f90

parent 1d950897
...@@ -274,9 +274,10 @@ SUBROUTINE cdnval(eig_id, mpi,kpts,jspin,noco,input,banddos,cell,atoms,enpara,st ...@@ -274,9 +274,10 @@ SUBROUTINE cdnval(eig_id, mpi,kpts,jspin,noco,input,banddos,cell,atoms,enpara,st
END DO END DO
#endif #endif
IF (mpi%irank==0) THEN !IF (mpi%irank==0) THEN
CALL cdnmt(input%jspins,atoms,sphhar,noco,jsp_start,jsp_end,& CALL cdnmt(mpi,input%jspins,atoms,sphhar,noco,jsp_start,jsp_end,&
enpara,vTot%mt(:,0,:,:),denCoeffs,usdus,orb,denCoeffsOffdiag,moments,den%mt) enpara,vTot%mt(:,0,:,:),denCoeffs,usdus,orb,denCoeffsOffdiag,moments,den%mt)
IF (mpi%irank==0) THEN
IF (l_coreSpec) CALL corespec_ddscs(jspin,input%jspins) IF (l_coreSpec) CALL corespec_ddscs(jspin,input%jspins)
DO ispin = jsp_start,jsp_end DO ispin = jsp_start,jsp_end
IF (input%cdinf) THEN IF (input%cdinf) THEN
......
...@@ -10,7 +10,7 @@ MODULE m_cdnmt ...@@ -10,7 +10,7 @@ MODULE m_cdnmt
! Philipp Kurz 2000-02-03 ! Philipp Kurz 2000-02-03
!*********************************************************************** !***********************************************************************
CONTAINS CONTAINS
SUBROUTINE cdnmt(jspd,atoms,sphhar,noco,jsp_start,jsp_end,enpara,& SUBROUTINE cdnmt(mpi,jspd,atoms,sphhar,noco,jsp_start,jsp_end,enpara,&
vr,denCoeffs,usdus,orb,denCoeffsOffdiag,moments,rho) vr,denCoeffs,usdus,orb,denCoeffsOffdiag,moments,rho)
use m_constants,only: sfp_const use m_constants,only: sfp_const
USE m_rhosphnlo USE m_rhosphnlo
...@@ -19,6 +19,7 @@ CONTAINS ...@@ -19,6 +19,7 @@ CONTAINS
USE m_types USE m_types
USE m_xmlOutput USE m_xmlOutput
IMPLICIT NONE IMPLICIT NONE
TYPE(t_mpi), INTENT(IN) :: mpi
TYPE(t_usdus), INTENT(INOUT) :: usdus !in fact only the lo part is intent(in) TYPE(t_usdus), INTENT(INOUT) :: usdus !in fact only the lo part is intent(in)
TYPE(t_noco), INTENT(IN) :: noco TYPE(t_noco), INTENT(IN) :: noco
TYPE(t_sphhar), INTENT(IN) :: sphhar TYPE(t_sphhar), INTENT(IN) :: sphhar
...@@ -54,6 +55,7 @@ CONTAINS ...@@ -54,6 +55,7 @@ CONTAINS
CALL timestart("cdnmt") CALL timestart("cdnmt")
IF (mpi%irank==0) THEN
IF (noco%l_mperp) THEN IF (noco%l_mperp) THEN
IF (denCoeffsOffdiag%l_fmpl) THEN IF (denCoeffsOffdiag%l_fmpl) THEN
!ALLOCATE ( rho21(atoms%jmtd,0:sphhar%nlhd,atoms%ntype) ) !ALLOCATE ( rho21(atoms%jmtd,0:sphhar%nlhd,atoms%ntype) )
...@@ -244,6 +246,7 @@ CONTAINS ...@@ -244,6 +246,7 @@ CONTAINS
ENDDO ENDDO
ENDDO ENDDO
ENDIF !(mpi%irank==0) THEN
CALL timestop("cdnmt") CALL timestop("cdnmt")
......
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