Commit 9ed8602b authored by Stefano de Gironcoli's avatar Stefano de Gironcoli

mispelled variable desc$have_task_groups corrected to desc%has_task_group

parent a121f572
......@@ -382,7 +382,7 @@ CONTAINS
!
ELSE
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
ALLOCATE( exx_potential(dffts%nnr,nproc_image/fftx_ntgrp(dffts)) )
!
......
......@@ -106,7 +106,7 @@
iss2 = iss1
END IF
!
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
!
CALL tg_get_group_nr3( dffts, tg_nr3 )
!
......@@ -241,7 +241,7 @@
fip = -0.5d0*f(i+idx)
endif
CALL fftx_psi2c_gamma( dffts, psi(eig_offset+1:eig_offset+inc), df(igno:igno+ngw), da(igno:igno+ngw))
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
DO ig=1,ngw
df(ig+igno-1)= fi *(tpiba2 * g2kin(ig) * c(ig,idx+i-1) + df(ig+igno-1))
da(ig+igno-1)= fip*(tpiba2 * g2kin(ig) * c(ig,idx+i ) + da(ig+igno-1))
......
......@@ -89,8 +89,8 @@
! ... Initialize FFT real-space grids and small box grid
nyfft_ = ntask_groups
dffts%have_task_groups = (ntask_groups >1)
dfftp%have_task_groups = .FALSE.
dffts%has_task_groups = (ntask_groups >1)
dfftp%has_task_groups = .FALSE.
lpara = ( nproc_bgrp > 1 )
!
IF ( ref_cell ) THEN
......
......@@ -79,7 +79,7 @@
IF( restart ) iflag = 2
END IF
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
tg_rhos_siz = dffts%nnr_tg
c2_siz = dffts%nnr_tg
ELSE
......@@ -122,7 +122,7 @@
c2 = 0D0
c3 = 0D0
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
!
! The potential in rhos is distributed across all processors
! We need to redistribute it so that it is completely contained in the
......@@ -142,7 +142,7 @@
DO i = 1, nbsp_bgrp, incr
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
!
!The input coefficients to dforce cover eigenstates i:i+2*NOGRP-1
!Thus, in dforce the dummy arguments for c0_bgrp(1,i) and
......@@ -353,7 +353,7 @@
'Electric field and sic are not implemented',2)
IF( nspin == 1 ) CALL errore(' runcp_force_pairing ',' inconsistent nspin ', 1)
IF( dffts%have_task_groups ) CALL errore(' runcp_force_pairing ',' task_groups not implemented ', 1)
IF( dffts%has_task_groups ) CALL errore(' runcp_force_pairing ',' task_groups not implemented ', 1)
!
ALLOCATE( emadt2( ngw ) )
ALLOCATE( emaver( ngw ) )
......
......@@ -121,7 +121,7 @@ MODULE fft_types
INTEGER, ALLOCATABLE :: tg_sdsp(:)! send displacement for task group A2A communication
INTEGER, ALLOCATABLE :: tg_rdsp(:)! receive displacement for task group A2A communicattion
!
LOGICAL :: have_task_groups = .FALSE.
LOGICAL :: has_task_groups = .FALSE.
!
CHARACTER(len=12):: rho_clock_label = ' '
CHARACTER(len=12):: wave_clock_label = ' '
......
......@@ -263,8 +263,8 @@ program test
end if
!
IF (gamma_only) incr = 2
dffts%have_task_groups = (ntgs > 1)
use_tg = dffts%have_task_groups
dffts%has_task_groups = (ntgs > 1)
use_tg = dffts%has_task_groups
!
dffts%rho_clock_label='ffts' ; dffts%wave_clock_label='fftw'
CALL fft_type_init(dffts, smap, "wave", gamma_only, .true., comm, at, bg, gkcut, gcutms/gkcut, nyfft=ntgs)
......
......@@ -28,7 +28,7 @@ SUBROUTINE apply_dpot(nrxxs, aux1, dv, current_spin)
!
! Noncollinear part with task groups
!
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
IF (domag) THEN
DO ir=1, dffts%nr1x*dffts%nr2x*dffts%my_nr3p
sup = aux1(ir,1) * (dv(ir,1)+dv(ir,4)) + &
......@@ -66,7 +66,7 @@ SUBROUTINE apply_dpot(nrxxs, aux1, dv, current_spin)
!
! collinear part with Task Groups
!
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
!
DO ir = 1, dffts%nr1x*dffts%nr2x*dffts%my_nr3p
aux1 (ir,1) = aux1 (ir,1) * dv(ir,1)
......
......@@ -67,7 +67,7 @@ subroutine incdrhoscf (drhoscf, weight, ik, dbecsum, dpsi)
npwq= ngk(ikq)
incr = 1
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
v_siz = dffts%nnr_tg
!
......@@ -84,7 +84,7 @@ subroutine incdrhoscf (drhoscf, weight, ik, dbecsum, dpsi)
!
do ibnd = 1, nbnd_occ(ikk), incr
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
tg_drho=(0.0_DP, 0.0_DP)
tg_psi=(0.0_DP, 0.0_DP)
......@@ -163,7 +163,7 @@ subroutine incdrhoscf (drhoscf, weight, ik, dbecsum, dpsi)
DEALLOCATE(psi)
DEALLOCATE(dpsic)
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
DEALLOCATE(tg_psi)
DEALLOCATE(tg_dpsi)
DEALLOCATE(tg_drho)
......
......@@ -71,7 +71,7 @@ subroutine incdrhoscf_nc (drhoscf, weight, ik, dbecsum, dpsi)
npwq= ngk(ikq)
incr = 1
!
IF (dffts%have_task_groups) THEN
IF (dffts%has_task_groups) THEN
!
v_siz = dffts%nnr_tg
!
......@@ -88,7 +88,7 @@ subroutine incdrhoscf_nc (drhoscf, weight, ik, dbecsum, dpsi)
!
do ibnd = 1, nbnd_occ(ikk), incr
IF (dffts%have_task_groups) THEN
IF (dffts%has_task_groups) THEN
!
tg_drho=(0.0_DP, 0.0_DP)
tg_psi=(0.0_DP, 0.0_DP)
......@@ -197,7 +197,7 @@ subroutine incdrhoscf_nc (drhoscf, weight, ik, dbecsum, dpsi)
DEALLOCATE(psi)
DEALLOCATE(dpsic)
!
IF (dffts%have_task_groups) THEN
IF (dffts%has_task_groups) THEN
DEALLOCATE(tg_psi)
DEALLOCATE(tg_dpsi)
DEALLOCATE(tg_drho)
......
......@@ -333,7 +333,7 @@ SUBROUTINE elphel (irr, npe, imode0, dvscfins)
el_ph_mat_rec=(0.0_DP,0.0_DP)
ALLOCATE (aux2(npwx*npol, nbnd))
incr=1
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
v_siz = dffts%nnr_tg
ALLOCATE( tg_dv ( v_siz, nspin_mag ) )
......@@ -385,7 +385,7 @@ SUBROUTINE elphel (irr, npe, imode0, dvscfins)
!
! calculate dvscf_q*psi_k
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
IF (noncolin) THEN
CALL tg_cgather( dffts, dvscfins(:,1,ipert), tg_dv(:,1))
IF (domag) THEN
......@@ -399,7 +399,7 @@ SUBROUTINE elphel (irr, npe, imode0, dvscfins)
ENDIF
aux2=(0.0_DP,0.0_DP)
DO ibnd = ibnd_fst, ibnd_lst, incr
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
CALL cft_wave_tg (ik, evc, tg_psic, 1, v_siz, ibnd, nbnd )
CALL apply_dpot(v_siz, tg_psic, tg_dv, 1)
CALL cft_wave_tg (ik, aux2, tg_psic, -1, v_siz, ibnd, nbnd)
......@@ -456,7 +456,7 @@ SUBROUTINE elphel (irr, npe, imode0, dvscfins)
DEALLOCATE (elphmat)
DEALLOCATE (aux1)
DEALLOCATE (aux2)
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
DEALLOCATE( tg_dv )
DEALLOCATE( tg_psic )
ENDIF
......
......@@ -139,7 +139,7 @@ subroutine solve_e
iter0 = 0
endif
incr=1
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
v_siz = dffts%nnr_tg
ALLOCATE( tg_dv ( v_siz, nspin_mag ) )
......@@ -207,7 +207,7 @@ subroutine solve_e
! calculates dvscf_q*psi_k in G_space, for all bands, k=kpoint
! dvscf_q from previous iteration (mix_potential)
!
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
IF (noncolin) THEN
CALL tg_cgather( dffts, dvscfins(:,1,ipol), tg_dv(:,1))
IF (domag) THEN
......@@ -221,7 +221,7 @@ subroutine solve_e
ENDIF
aux2=(0.0_DP,0.0_DP)
do ibnd = 1, nbnd_occ (ik), incr
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
call cft_wave_tg (ik, evc, tg_psic, 1, v_siz, ibnd, nbnd_occ (ik) )
call apply_dpot(v_siz, tg_psic, tg_dv, 1)
call cft_wave_tg (ik, aux2, tg_psic, -1, v_siz, ibnd, nbnd_occ (ik))
......@@ -421,7 +421,7 @@ subroutine solve_e
deallocate (dvscfin)
if (noncolin) deallocate(dbecsum_nc)
deallocate(aux2)
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
DEALLOCATE( tg_dv )
DEALLOCATE( tg_psic)
......
......@@ -170,7 +170,7 @@ SUBROUTINE solve_linter (irr, imode0, npe, drhoscf)
allocate (aux2(npwx*npol, nbnd))
allocate (drhoc(dfftp%nnr))
incr=1
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
v_siz = dffts%nnr_tg
ALLOCATE( tg_dv ( v_siz, nspin_mag ) )
......@@ -286,7 +286,7 @@ SUBROUTINE solve_linter (irr, imode0, npe, drhoscf)
! dvscf_q from previous iteration (mix_potential)
!
call start_clock ('vpsifft')
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
IF (noncolin) THEN
CALL tg_cgather( dffts, dvscfins(:,1,ipert), tg_dv(:,1))
IF (domag) THEN
......@@ -300,7 +300,7 @@ SUBROUTINE solve_linter (irr, imode0, npe, drhoscf)
ENDIF
aux2=(0.0_DP,0.0_DP)
do ibnd = 1, nbnd_occ (ikk), incr
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
call cft_wave_tg (ik, evc, tg_psic, 1, v_siz, ibnd, nbnd_occ (ikk) )
call apply_dpot(v_siz, tg_psic, tg_dv, 1)
call cft_wave_tg (ik, aux2, tg_psic, -1, v_siz, ibnd, nbnd_occ (ikk))
......@@ -592,7 +592,7 @@ SUBROUTINE solve_linter (irr, imode0, npe, drhoscf)
deallocate (dvscfin)
deallocate(aux2)
deallocate(drhoc)
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
DEALLOCATE( tg_dv )
DEALLOCATE( tg_psic )
ENDIF
......
......@@ -58,7 +58,7 @@ SUBROUTINE data_structure( gamma_only )
!
! ... set up fft descriptors, including parallel stuff: sticks, planes, etc.
!
dffts%have_task_groups = (ntask_groups >1)
dffts%has_task_groups = (ntask_groups >1)
CALL fft_type_init( dffts, smap, "wave", gamma_only, lpara, intra_bgrp_comm, at, bg, gkcut, gcutms/gkcut, nyfft=nyfft )
CALL fft_type_init( dfftp, smap, "rho" , gamma_only, lpara, intra_bgrp_comm, at, bg, gcutm , 4.d0, nyfft=nyfft )
! define the clock labels ( this enables the corresponding fft too ! )
......
......@@ -125,7 +125,7 @@ SUBROUTINE h_psi_( lda, n, m, psi, hpsi )
! ... real-space algorithm
! ... fixme: real_space without beta functions does not make sense
!
IF ( dffts%have_task_groups ) then
IF ( dffts%has_task_groups ) then
incr = 2 * fftx_ntgrp(dffts)
ELSE
incr = 2
......@@ -162,7 +162,7 @@ SUBROUTINE h_psi_( lda, n, m, psi, hpsi )
! ... real-space algorithm
! ... fixme: real_space without beta functions does not make sense
!
IF ( dffts%have_task_groups ) then
IF ( dffts%has_task_groups ) then
incr = fftx_ntgrp(dffts)
ELSE
incr = 1
......
......@@ -130,7 +130,7 @@ MODULE realus
!real space, allocation for task group fft work arrays
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
!
IF (allocated( tg_psic ) ) DEALLOCATE( tg_psic )
!
......@@ -1471,7 +1471,7 @@ MODULE realus
!
CALL start_clock( 'calbec_rs' )
!
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
CALL errore( 'calbec_rs_gamma', 'task_groups not implemented', 1 )
......@@ -1579,7 +1579,7 @@ MODULE realus
!
CALL start_clock( 'calbec_rs' )
!
IF( dffts%have_task_groups ) CALL errore( 'calbec_rs_k', 'task_groups not implemented', 1 )
IF( dffts%has_task_groups ) CALL errore( 'calbec_rs_k', 'task_groups not implemented', 1 )
call set_xkphase(current_k)
......@@ -1656,7 +1656,7 @@ MODULE realus
!
CALL start_clock( 's_psir' )
IF( dffts%have_task_groups ) CALL errore( 's_psir_gamma', 'task_groups not implemented', 1 )
IF( dffts%has_task_groups ) CALL errore( 's_psir_gamma', 'task_groups not implemented', 1 )
!
fac = sqrt(omega)
......@@ -1740,7 +1740,7 @@ MODULE realus
CALL start_clock( 's_psir' )
IF( dffts%have_task_groups ) CALL errore( 's_psir_k', 'task_groups not implemented', 1 )
IF( dffts%has_task_groups ) CALL errore( 's_psir_k', 'task_groups not implemented', 1 )
call set_xkphase(current_k)
......@@ -1827,7 +1827,7 @@ MODULE realus
!
CALL start_clock( 'add_vuspsir' )
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
CALL errore( 'add_vuspsir_gamma', 'task_groups not implemented', 1 )
......@@ -1930,7 +1930,7 @@ MODULE realus
!
CALL start_clock( 'add_vuspsir' )
IF( dffts%have_task_groups ) CALL errore( 'add_vuspsir_k', 'task_groups not implemented', 1 )
IF( dffts%has_task_groups ) CALL errore( 'add_vuspsir_k', 'task_groups not implemented', 1 )
call set_xkphase(current_k)
!
......@@ -2027,7 +2027,7 @@ MODULE realus
!print *, "->Real space"
CALL start_clock( 'invfft_orbital' )
!
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
!
tg_psic = (0.d0, 0.d0)
......@@ -2143,7 +2143,7 @@ MODULE realus
!print *, "->fourier space"
CALL start_clock( 'fwfft_orbital' )
!New task_groups versions
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
!
CALL fwfft ('tgWave', tg_psic, dffts )
!
......@@ -2250,7 +2250,7 @@ MODULE realus
ik_ = current_k ; if (present(ik)) ik_ = ik
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
!
tg_psic = ( 0.D0, 0.D0 )
ioff = 0
......@@ -2338,7 +2338,7 @@ MODULE realus
ik_ = current_k ; if (present(ik)) ik_ = ik
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
!
CALL fwfft ('tgWave', tg_psic, dffts)
!
......@@ -2404,7 +2404,7 @@ MODULE realus
REAL(DP), ALLOCATABLE :: tg_v(:)
CALL start_clock( 'v_loc_psir' )
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
IF (ibnd == 1 ) THEN
CALL tg_gather( dffts, vrs(:,current_spin), tg_v )
!if ibnd==1 this is a new calculation, and tg_v should be distributed.
......@@ -2452,7 +2452,7 @@ MODULE realus
REAL(DP), ALLOCATABLE :: tg_v(:)
CALL start_clock( 'v_loc_psir' )
IF( dffts%have_task_groups ) THEN
IF( dffts%has_task_groups ) THEN
IF (ibnd == 1 ) THEN
CALL tg_gather( dffts, vrs(:,current_spin), tg_v )
!if ibnd==1 this is a new calculation, and tg_v should be distributed.
......
......@@ -259,7 +259,7 @@ SUBROUTINE sum_band()
! ... here we sum for each k point the contribution
! ... of the wavefunctions to the charge
!
use_tg = ( dffts%have_task_groups ) .AND. ( .NOT. (dft_is_meta() .OR. lxdm) )
use_tg = ( dffts%has_task_groups ) .AND. ( .NOT. (dft_is_meta() .OR. lxdm) )
!
incr = 2
......@@ -498,7 +498,7 @@ SUBROUTINE sum_band()
! ... here we sum for each k point the contribution
! ... of the wavefunctions to the charge
!
use_tg = ( dffts%have_task_groups ) .AND. ( .NOT. (dft_is_meta() .OR. lxdm) )
use_tg = ( dffts%has_task_groups ) .AND. ( .NOT. (dft_is_meta() .OR. lxdm) )
!
incr = 1
!
......
......@@ -39,7 +39,7 @@ SUBROUTINE vloc_psi_gamma(lda, n, m, psi, v, hpsi)
CALL start_clock ('vloc_psi')
incr = 2
!
use_tg = dffts%have_task_groups
use_tg = dffts%has_task_groups
!
IF( use_tg ) THEN
!
......@@ -233,7 +233,7 @@ SUBROUTINE vloc_psi_k(lda, n, m, psi, v, hpsi)
INTEGER :: v_siz, idx, ioff
!
CALL start_clock ('vloc_psi')
use_tg = dffts%have_task_groups
use_tg = dffts%has_task_groups
!
IF( use_tg ) THEN
!
......@@ -402,7 +402,7 @@ SUBROUTINE vloc_psi_nc (lda, n, m, psi, v, hpsi)
!
incr = 1
!
use_tg = dffts%have_task_groups
use_tg = dffts%has_task_groups
!
IF( use_tg ) THEN
CALL start_clock ('vloc_psi:tg_gather')
......
......@@ -141,7 +141,7 @@ SUBROUTINE lr_alloc_init()
!
! Allocate the R-space unperturbed orbitals
!
IF (dffts%have_task_groups) THEN
IF (dffts%has_task_groups) THEN
ALLOCATE(tg_revc0(dffts%nnr_tg,nbnd,nksq))
IF (.NOT. ALLOCATED(tg_psic)) &
& ALLOCATE( tg_psic(dffts%nnr_tg) )
......
......@@ -417,7 +417,7 @@ CONTAINS
!end: calculation of becp2
ENDIF
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
v_siz = dffts%nnr_tg
!
......@@ -446,7 +446,7 @@ CONTAINS
! Product with the potential vrs = (vltot+vr)
! revc0 is on smooth grid. psic is used up to smooth grid
!
IF (dffts%have_task_groups) THEN
IF (dffts%has_task_groups) THEN
!
DO ir=1, dffts%nr1x*dffts%nr2x*dffts%my_nr3p
!
......@@ -539,7 +539,7 @@ CONTAINS
#if defined(__MPI)
CALL mp_sum( evc1_new(:,:,1), inter_bgrp_comm )
#endif
IF (dffts%have_task_groups) DEALLOCATE (tg_dvrss)
IF (dffts%has_task_groups) DEALLOCATE (tg_dvrss)
!
IF( nkb > 0 .and. okvan .and. real_space_debug <= 7) THEN
!The non real_space part
......
......@@ -75,7 +75,7 @@ SUBROUTINE lr_apply_liouvillian_eels ( evc1, evc1_new, interaction )
!
incr = 1
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
v_siz = dffts%nnr_tg
!
......@@ -169,7 +169,7 @@ SUBROUTINE lr_apply_liouvillian_eels ( evc1, evc1_new, interaction )
! We need to redistribute it so that it is completely contained in the
! processors of an orbital TASK-GROUP.
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
IF (noncolin) THEN
!
......@@ -191,7 +191,7 @@ SUBROUTINE lr_apply_liouvillian_eels ( evc1, evc1_new, interaction )
!
DO ibnd = 1, nbnd_occ(ikk), incr
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
! FFT to R-space
!
......@@ -308,7 +308,7 @@ SUBROUTINE lr_apply_liouvillian_eels ( evc1, evc1_new, interaction )
DEALLOCATE (sevc1_new)
IF (ALLOCATED(psic)) DEALLOCATE(psic)
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
DEALLOCATE( tg_dvrssc )
DEALLOCATE( tg_psic )
ENDIF
......
......@@ -338,7 +338,7 @@ CONTAINS
!
incr = 2
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
v_siz = dffts%nnr_tg
!
......@@ -355,7 +355,7 @@ CONTAINS
!
CALL invfft_orbital_gamma(evc1(:,:,1),ibnd,nbnd)
!
IF (dffts%have_task_groups) THEN
IF (dffts%has_task_groups) THEN
!
! Now the first proc of the group holds the first two bands
! of the 2*ntgrp bands that we are processing at the same time,
......@@ -440,7 +440,7 @@ CONTAINS
!
ENDDO
!
IF (dffts%have_task_groups) THEN
IF (dffts%has_task_groups) THEN
!
! reduce the group charge
!
......@@ -543,7 +543,7 @@ CONTAINS
!
ENDIF
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
DEALLOCATE( tg_rho )
END IF
!
......
......@@ -65,7 +65,7 @@ SUBROUTINE lr_dvpsi_eels (ik, dvpsi1, dvpsi2)
!
incr = 1
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
v_siz = dffts%nnr_tg
!
......@@ -91,7 +91,7 @@ SUBROUTINE lr_dvpsi_eels (ik, dvpsi1, dvpsi2)
!
DO ibnd = 1, nbnd_occ(ikk), incr
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
! FFT to R-space
CALL cft_wave_tg(ik, evc, tg_psic, 1, v_siz, ibnd, nbnd_occ(ikk) )
......@@ -147,7 +147,7 @@ SUBROUTINE lr_dvpsi_eels (ik, dvpsi1, dvpsi2)
!
DEALLOCATE (revc)
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
DEALLOCATE( tg_psic )
ENDIF
!
......
......@@ -220,7 +220,7 @@ SUBROUTINE normal_read()
! Calculation of the unperturbed wavefunctions in R-space revc0.
! Inverse Fourier transform of evc0.
!
IF ( dffts%have_task_groups ) THEN
IF ( dffts%has_task_groups ) THEN
!
v_siz = dffts%nnr_tg
incr = 2 * fftx_ntgrp(dffts)
......@@ -238,7 +238,7 @@ SUBROUTINE normal_read()
!
CALL invfft_orbital_gamma ( evc0(:,:,1), ibnd, nbnd)
!
IF (dffts%have_task_groups) THEN
IF (dffts%has_task_groups) THEN
!
DO j = 1, dffts%nr1x*dffts%nr2x*dffts%my_nr3p
!
......@@ -302,7 +302,7 @@ SUBROUTINE virt_read()
!
WRITE( stdout, '(/5x,"Virt read")' )
!
IF (dffts%have_task_groups) CALL errore ( 'virt_read', 'Task &
IF (dffts%has_task_groups) CALL errore ( 'virt_read', 'Task &
& groups not supported when there are virtual states in the &
& input.', 1 )
!
......
......@@ -609,13 +609,13 @@ CONTAINS
!
! No taskgroups and EXX.
!
IF (dffts%have_task_groups .AND. dft_is_hybrid()) &
IF (dffts%has_task_groups .AND. dft_is_hybrid()) &
& CALL errore( 'lr_readin', ' Linear response calculation ' // &
& 'not implemented for EXX+Task groups', 1 )
!
! Experimental task groups warning.
!
IF (dffts%have_task_groups) &
IF (dffts%has_task_groups) &
& CALL infomsg( 'lr_readin','Usage of task &
& groups with TDDFPT is still experimental. Use at your own risk.' )
! & CALL errore( 'lr_readin', ' Linear response calculation ' // &
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment