Commit 4d160ff3 authored by Stefan Rost's avatar Stefan Rost

open mp parallelization of unfolding band routine

parent 7ea5b6c9
......@@ -272,6 +272,16 @@ CONTAINS
! write(345,'(3I6)') lapw%gvec(:,:,jsp)
write (*,*)results%ef
write (*,*) i_kpt
IF (.not. method_rubel) THEN
! IF (mpi%n_size==1) THEN
! call smat_unfold%multiply(zMat,zMat_s)
! ELSE
! call smat_unfold%mpimat_multiply(zMat,zMat_s)
! ENDIF
call smat_unfold%multiply(zMat,zMat_s)
END IF
!$omp parallel private(j,n_i,nn,na,lo,nk,nki,gi)
!$omp do
DO i=1,zMat%matsize2
IF (method_rubel) THEN
DO j=1,lapw%nv(jsp)
......@@ -324,7 +334,6 @@ CONTAINS
END DO
!--------------------------LO's finished----------------
ELSE
call smat_unfold%multiply(zMat,zMat_s)
DO j=1,lapw%nv(jsp)
! DO k=1,zMat%matsize1
IF (zmat%l_real) THEN
......@@ -423,6 +432,9 @@ CONTAINS
! END IF
! END IF
END DO
!$omp end do
!$omp end parallel
write (*,*) 'finished',i_kpt
IF (i_kpt==kpts%nkpt) THEN
IF (write_to_file .AND. jsp==1) CLOSE (679)
IF (jsp==input%jspins) THEN
......
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