Commit bb23ec7d authored by Matthias Redies's avatar Matthias Redies

remove cpp_nevers

parent 69d9db68
......@@ -68,10 +68,6 @@ CONTAINS
USE m_olap
USE m_spmvec
USE m_hsefunctional, ONLY: dynamic_hse_adjustment
#if defined(CPP_MPI)&&defined(CPP_NEVER)
USE m_mpi_work_dist
USE m_mpi_tags
#endif
USE m_io_hybrid
USE m_kp_perturbation
......@@ -144,9 +140,6 @@ CONTAINS
REAL, ALLOCATABLE :: cprod_vv_r(:, :, :), cprod_cv_r(:, :, :), carr3_vv_r(:, :, :), carr3_cv_r(:, :, :)
COMPLEX, ALLOCATABLE :: cprod_vv_c(:, :, :), cprod_cv_c(:, :, :), carr3_vv_c(:, :, :), carr3_cv_c(:, :, :)
#if defined(CPP_MPI)&&defined(CPP_NEVER)
COMPLEX :: buf_vv(hybrid%nbands(nk), nbands(nk))
#endif
#if ( !defined CPP_NOSPMVEC && !defined CPP_IRAPPROX )
REAL :: coulomb_mt1(hybrid%maxindxm1 - 1, hybrid%maxindxm1 - 1, 0:hybrid%maxlcutm1, atoms%ntype)
......@@ -176,11 +169,6 @@ CONTAINS
#endif
LOGICAL :: occup(dimension%neigd)
#if defined(CPP_MPI)&&defined(CPP_NEVER)
INCLUDE "mpif.h"
INTEGER :: ierr, ierr2, length, rank
CHARACTER(LEN=MPI_MAX_ERROR_STRING) :: errmsg
#endif
CALL timestart("valence exchange calculation")
IF (initialize) THEN !it .eq. 1 .and. nk .eq. 1) THEN
......
......@@ -55,13 +55,6 @@ CONTAINS
LOGICAL :: skip_kpt(kpts%nkpt)
INTEGER :: g(3)
#if defined(CPP_MPI)&&defined(CPP_NEVER)
INTEGER :: sndreqd, rcvreqd, rcvreq(kpts%nkpt)
INTEGER(KIND=MPI_ADDRESS_KIND) :: addr
INTEGER :: ierr(3)
INCLUDE 'mpif.h'
#endif
skip_kpt = .FALSE.
IF (hybrid%l_calhf) THEN
......@@ -79,12 +72,6 @@ CONTAINS
! Reading the eig file
DO nk = 1, kpts%nkpt
#if defined(CPP_MPI)&&defined(CPP_NEVER)
! jump to next k-point if this process is not present in communicator
IF (skip_kpt(nk)) CYCLE
#endif
nrec1 = kpts%nkpt*(jsp - 1) + nk
CALL lapw%init(input, noco, kpts, atoms, sym, nk, cell, sym%zrfs)
nbasfcn = MERGE(lapw%nv(1) + lapw%nv(2) + 2*atoms%nlotot, lapw%nv(1) + atoms%nlotot, noco%l_noco)
......@@ -112,12 +99,6 @@ CONTAINS
degenerat = 1
hybrid%nobd = 0
DO nk = 1, kpts%nkpt
#if defined(CPP_MPI)&&defined(CPP_NEVER)
! jump to next k-point if this k-point is not treated at this process
IF (skip_kpt(nk)) CYCLE
#endif
DO i = 1, hybrid%ne_eig(nk)
DO j = i + 1, hybrid%ne_eig(nk)
IF (ABS(results%eig(i, nk, jsp) - results%eig(j, nk, jsp)) < 1E-07) THEN !0.015
......@@ -163,29 +144,6 @@ CONTAINS
PRINT *, "bands:", nk, hybrid%nobd(nk), hybrid%nbands(nk), hybrid%ne_eig(nk)
END DO
#if defined(CPP_MPI)&&defined(CPP_NEVER)
! send results for occupied bands to all processes
sndreqd = 0; rcvreqd = 0
DO nk = 1, kpts%nkpt
IF (skip_kpt(nk)) THEN
rcvreqd = rcvreqd + 1
CALL MPI_IRECV(hybrid%nobd(nk), 1, MPI_INTEGER4, MPI_ANY_SOURCE, TAG_SNDRCV_HYBDAT%NOBD + nk, mpi, rcvreq(rcvreqd), ierr(1))
ELSE
i = MOD(mpi%irank + 1, mpi%isize)
DO WHILE (i < mpi%irank .OR. i >= mpi%irank + 1)
sndreqd = sndreqd + 1
CALL MPI_ISSEND(hybrid%nobd(nk), 1, MPI_INTEGER4, i, TAG_SNDRCV_HYBDAT%NOBD + nk, mpi, sndreq(sndreqd), ierr(1))
i = MOD(i + 1, mpi%isize)
END DO
END IF
END DO
CALL MPI_WAITALL(rcvreqd, rcvreq, MPI_STATUSES_IGNORE, ierr(1))
! Necessary to avoid compiler optimization
! Compiler does not know that hybrid%nobd is modified in mpi_waitall
CALL MPI_GET_ADDRESS(hybrid%nobd, addr, ierr(1))
rcvreqd = 0
#endif
! spread hybrid%nobd from IBZ to whole BZ
DO nk = 1, kpts%nkptf
i = kpts%bkp(nk)
......@@ -200,11 +158,6 @@ CONTAINS
CALL corewf(atoms, jsp, input, DIMENSION, vr0, hybdat%lmaxcd, hybdat%maxindxc, mpi, &
hybdat%lmaxc, hybdat%nindxc, hybdat%core1, hybdat%core2, hybdat%eig_c)
#if defined(CPP_MPI)&&defined(CPP_NEVER)
! wait until all files are written in gen_wavf
CALL MPI_BARRIER(mpi%mpi_comm, ierr)
#endif
! check olap between core-basis/core-valence/basis-basis
CALL checkolap(atoms, hybdat, hybrid, kpts%nkpt, kpts, dimension, mpi, skip_kpt, &
input, sym, noco, cell, lapw, jsp)
......
......@@ -177,10 +177,6 @@ CONTAINS
! calculate contribution from the core states to the HF exchange
IF (xcpot%is_name("hse") .OR. xcpot%is_name("vhse")) THEN
#ifdef CPP_NEVER
CALL exchange_vccvHSE(nk, atoms, hybrid, hybdat, dimension, jsp, lapw, nsymop, nsest, indx_sest, mpi, a_ex, results, mat_ex%core)
CALL exchange_ccccHSE(nk, obsolete, atoms, hybdat, ncstd, kpts(:, nk), sym, a_ex, mpi, results%core)
#endif
STOP "HSE not implemented in hsfock"
ELSE
CALL exchange_vccv1(nk, atoms, hybrid, hybdat, dimension, jsp, lapw, nsymop, nsest, indx_sest, mpi, a_ex, results, ex)
......
......@@ -76,11 +76,6 @@ CONTAINS
results%te_hfex%core = 0
!Check if we are converged well enough to calculate a new potential
#if defined(CPP_MPI)&&defined(CPP_NEVER)
CALL judft_error("Hybrid functionals do not work in parallel version yet")
CALL MPI_BCAST(results%last_distance....
#endif
CALL open_hybrid_io1b(DIMENSION, sym%invs)
hybrid%l_addhf = .TRUE.
......
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