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Commit a3caa96f authored by Gregor Michalicek's avatar Gregor Michalicek
Browse files

Another slight simplification of the k point loop in cdn/cdnval.F90

parent 44b04998
......@@ -248,9 +248,15 @@ CONTAINS
END IF
DO ikpt = ikptStart, nkpt_extended, ikptIncrement
IF (ikpt.GT.kpts%nkpt) THEN
#ifdef CPP_MPI
! Synchronizes the RMA operations
CALL MPI_BARRIER(mpi%mpi_comm,ie)
#endif
EXIT
END IF
i_rec = ikpt
IF (ikpt.LE.kpts%nkpt) THEN
!-t3e
we=0.0
!---> determine number of occupied bands and set weights (we)
noccbd = 0
......@@ -266,9 +272,7 @@ CONTAINS
! uncomment this so that cdinf plots works for all states
! noccbd = neigd
!
! -> Gu test: distribute ev's among the processors...
!
CALL lapw%init(input,noco, kpts,atoms,sym,ikpt,cell,.false., mpi)
skip_t = skip_tt
IF (l_evp.AND.(mpi%isize.GT.1)) THEN
......@@ -311,7 +315,7 @@ CONTAINS
!IF (l_evp.AND.(isize.GT.1)) THEN
! eig(1:noccbd) = eig(n_start:n_end)
!ENDIF
!
IF (vacuum%nstm.EQ.3.AND.input%film) THEN
CALL nstm3(sym,atoms,vacuum,stars,ikpt,lapw%nv(jspin),input,jspin,kpts,&
cell,kpts%wtkpt(ikpt),lapw%k1(:,jspin),lapw%k2(:,jspin),&
......@@ -403,7 +407,6 @@ CONTAINS
!+new
!---> charge of each valence state in this k-point of the SBZ
!---> in the layer interstitial region of the film
!
IF (banddos%dos.AND.(banddos%ndir.EQ.-3)) THEN
IF (.NOT.((jspin.EQ.2) .AND. noco%l_noco)) THEN
CALL q_int_sl(jspin,stars,atoms,sym,cell,noccbd,lapw,slab,oneD,zMat)
......@@ -537,14 +540,6 @@ CONTAINS
CALL timestop("cdnval: write_info")
!-new_sl
END IF
!---> end of loop over PE's
ELSE !(ikpt.LE.nkpt)
#ifdef CPP_MPI
! Synchronizes the RMA operations
CALL MPI_BARRIER(mpi%mpi_comm,ie)
#endif
END IF
END DO !---> end of k-point loop
DEALLOCATE (we)
!+t3e
......
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