Commit e642777d authored by sponce's avatar sponce

Removal of #def __PARA.

In very few case, has been replaced by __MPI


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12679 c92efa57-630b-4861-b058-cf58834340f0
parent 8e1dbc84
......@@ -123,8 +123,8 @@ LIBOBJS = ../../clib/clib.a ../../iotk/src/libiotk.a
TLDEPS= bindir mods libs pw-lib pw ph
all : pw ph wannier wcorr pp ld1 upf libepw.a epw.x
#all : pw ph wannier pp ld1 upf libepw.a epw.x
#all : pw ph wannier wcorr pp ld1 upf libepw.a epw.x
all : pw ph wannier pp ld1 upf libepw.a epw.x
libepw.a : $(EPWOBJS)
$(AR) $(ARFLAGS) $@ $?
......
......@@ -30,11 +30,9 @@
delta_smear, degaussw, fsthick
USE elph2, ONLY : nqtotf, wf, wqf, lambda_all, lambda_v_all
USE constants_epw, ONLY : ryd2mev, ryd2ev, kelvin2eV, two, zero
#ifdef __PARA
USE mp, ONLY : mp_barrier, mp_sum
USE mp_world, ONLY : mpime, world_comm
USE io_global, ONLY : ionode_id
#endif
USE io_global, ONLY : stdout
USE io_epw, ONLY : iua2ffil, iudosfil, iua2ftrfil
USE io_files, ONLY : prefix
......@@ -50,9 +48,7 @@
!
!
CALL start_clock('a2F')
#ifdef __PARA
IF (mpime .eq. ionode_id) THEN
#endif
!
DO isig = 1, nsmear
!
......@@ -223,10 +219,8 @@
!
ENDDO ! isig
!
#ifdef __PARA
ENDIF
CALL mp_barrier(world_comm)
#endif
!
CALL stop_clock('a2F')
CALL print_clock('a2F')
......
......@@ -13,12 +13,12 @@
!-----------------------------------------------------------------------
SUBROUTINE bcast_ph_input
!-----------------------------------------------------------------------
!!
!! In this routine the first processor sends the input to all
!! the other processors
!!
!
! In this routine the first processor sends the input to all
! the other processors
!
!
#ifdef __PARA
#ifdef __MPI
USE phcom, ONLY : zue, trans, tr2_ph, recover, nmix_ph, niter_ph, &
lnscf, ldisp, fildvscf, fildrho, epsil, alpha_mix
USE epwcom, ONLY : epexst, epbwrite, ep_coupling, eminabs, emaxabs, &
......@@ -202,7 +202,7 @@ END SUBROUTINE bcast_ph_input
SUBROUTINE bcast_ph_input1
!-----------------------------------------------------------------------
!
#ifdef __PARA
#ifdef __MPI
USE pwcom
USE phcom
USE mp, ONLY: mp_bcast
......
......@@ -10,25 +10,25 @@
!-----------------------------------------------------------------------
SUBROUTINE mix_broyden( ndim, deltaout, deltain, alphamix, iter, n_iter, conv )
!-----------------------------------------------------------------------
!
! Modified Broyden's method for potential/charge density mixing
! D.D.Johnson, PRB 38, 12807 (1988)
!
! input :
!
! ndim dimension of arrays deltaout, deltain
! deltaout output Delta at current iteration
! deltain Delta at previous iteration
! alphamix mixing factor (0 < alphamix <= 1)
! iter current iteration number
! n_iter number of iterations used in the mixing
! conv if true convergence reached
!
! output:
!
! deltain mixed Delta
! deltaout deltaout-deltain
!
!!
!! Modified Broyden's method for potential/charge density mixing
!! D.D.Johnson, PRB 38, 12807 (1988)
!!
!! input :
!!
!! ndim dimension of arrays deltaout, deltain
!! deltaout output Delta at current iteration
!! deltain Delta at previous iteration
!! alphamix mixing factor (0 < alphamix <= 1)
!! iter current iteration number
!! n_iter number of iterations used in the mixing
!! conv if true convergence reached
!!
!! output:
!!
!! deltain mixed Delta
!! deltaout deltaout-deltain
!!
USE kinds, ONLY : DP
USE epwcom, ONLY : nsiter
!
......
......@@ -18,9 +18,7 @@
USE phcom, ONLY: iuwfc, iudwf, iudrhous, iudvkb3, fildrho, iudrho
USE epwcom, ONLY: elinterp
USE uspp, ONLY: okvan
#ifdef __PARA
USE mp_global, ONLY : me_pool,root_pool
#endif
!
implicit none
!
......@@ -28,22 +26,18 @@
CLOSE (unit = iudwf, status = 'keep')
IF(okvan) CLOSE(unit = iudrhous, status = 'delete')
IF(okvan) CLOSE (unit = iudvkb3, status = 'delete')
#ifdef __PARA
IF (me_pool /= root_pool ) go to 100
#endif
IF (me_pool /= root_pool ) go to 100
IF (fildrho.ne.' ') CLOSE (unit = iudrho, status = 'keep')
#ifdef __PARA
100 continue
#endif
IF (elinterp) then
!
! the temporary storage for Wannier interpolation
!
CLOSE (unit = iunepmatf, status = 'delete')
! CLOSE (unit = iunepmatwe, status = 'delete')
! CLOSE (unit = iunepmatwp, status = 'delete')
!
!
! the temporary storage for Wannier interpolation
!
CLOSE (unit = iunepmatf, status = 'delete')
! CLOSE (unit = iunepmatwe, status = 'delete')
! CLOSE (unit = iunepmatwp, status = 'delete')
!
ENDIF
!
END SUBROUTINE close_epw
This diff is collapsed.
This diff is collapsed.
......@@ -21,12 +21,10 @@
USE pwcom, ONLY : at, bg, celldm
USE elph2, ONLY : cdmew
USE constants_epw, ONLY : bohr2ang, twopi, ci, czero
#ifdef __PARA
USE io_global, ONLY : ionode_id
USE mp_global, ONLY : inter_pool_comm
USE mp_world, ONLY : mpime
USE mp, ONLY : mp_barrier,mp_sum
#endif
implicit none
!
! input variables
......@@ -105,9 +103,7 @@
ENDDO
!
ENDDO
#ifdef __PARA
CALL mp_sum(cdmew,inter_pool_comm)
#endif
!
! bring xk back into cart coord
!
......@@ -117,22 +113,18 @@
! check spatial decay of Dipole in Wannier basis
! the unit in r-space is angstrom
!
#ifdef __PARA
IF (mpime.eq.ionode_id) then
#endif
OPEN(unit=300,file='decay.P')
WRITE(300, '(/3x,a/)') '#Spatial decay of Dipole in Wannier basis'
DO ir = 1, nrr
!
tmp = maxval ( abs( cdmew (:, :,:,ir)) )
WRITE(300, *) wslen(ir) * celldm (1) * bohr2ang, tmp
!
ENDDO
close(300)
#ifdef __PARA
ENDIF
CALL mp_barrier(inter_pool_comm)
#endif
IF (mpime.eq.ionode_id) then
OPEN(unit=300,file='decay.P')
WRITE(300, '(/3x,a/)') '#Spatial decay of Dipole in Wannier basis'
DO ir = 1, nrr
!
tmp = maxval ( abs( cdmew (:, :,:,ir)) )
WRITE(300, *) wslen(ir) * celldm (1) * bohr2ang, tmp
!
ENDDO
close(300)
ENDIF
CALL mp_barrier(inter_pool_comm)
!
CALL stop_clock ( 'Dipole: step 2' )
!
......
......@@ -46,10 +46,8 @@
int5_so, vlocq, int4_nc
USE qpoint, ONLY : xq, eigqts
USE uspp_param, ONLY : upf, lmaxq, nh
#ifdef __PARA
USE mp_global, ONLY : my_pool_id, npool, intra_pool_comm
USE mp, ONLY : mp_sum
#endif
USE uspp, ONLY : okvan
USE fft_base, ONLY : dfftp
USE fft_interfaces, ONLY : fwfft
......@@ -76,9 +74,7 @@
complex(kind=DP), POINTER :: qgmq (:)
! the augmentation function at q+G
character (len=256) :: tempfile
#ifdef __PARA
character (len=3) :: filelab
#endif
logical :: exst
IF (.not.okvan) RETURN
......@@ -139,8 +135,8 @@
fact1 = CMPLX (0.d0, - tpiba * omega, kind=DP)
!
tempfile = trim(tmp_dir) // trim(prefix) // '.recover'
#ifdef __PARA
CALL set_ndnmbr (0,my_pool_id+1,1,npool,filelab)
#ifdef __MPI
CALL set_ndnmbr (0,my_pool_id+1,1,npool,filelab)
tempfile = trim(tmp_dir) // trim(prefix) // '.recover' // filelab
#endif
!
......@@ -262,19 +258,17 @@
ENDDO
ENDIF
ENDDO
#ifdef __PARA
CALL mp_sum( int1, intra_pool_comm )
CALL mp_sum( int2, intra_pool_comm )
call mp_sum( int4, intra_pool_comm )
call mp_sum( int5, intra_pool_comm )
#endif
OPEN (iurecover, file = tempfile, form = 'unformatted')
IF (noncolin) THEN
WRITE (iurecover) int1, int2, int4, int5
ELSE
WRITE (iurecover) int1, int2
ENDIF
CLOSE(iurecover)
OPEN (iurecover, file = tempfile, form = 'unformatted')
IF (noncolin) THEN
WRITE (iurecover) int1, int2, int4, int5
ELSE
WRITE (iurecover) int1, int2
ENDIF
CLOSE(iurecover)
ENDIF
IF (noncolin) THEN
CALL set_int12_nc(0)
......
......@@ -32,12 +32,11 @@
USE elph2, ONLY : rdw, epsi, zstar
USE epwcom, ONLY : lpolar
USE constants_epw, ONLY : bohr2ang, twopi, ci
#ifdef __PARA
USE io_global, ONLY : ionode_id
USE mp_world, ONLY : mpime
USE mp, ONLY : mp_barrier
USE mp_global, ONLY : inter_pool_comm
#endif
!
implicit none
!
! input variables
......@@ -112,22 +111,18 @@
! the unit in r-space is angstrom, and I am plotting
! the matrix for the first mode only
!
#ifdef __PARA
IF (mpime.eq.ionode_id) THEN
#endif
OPEN(unit=302,file='decay.dynmat')
WRITE(302, '(/3x,a/)') '#Spatial decay of Dynamical matrix in Wannier basis'
DO ir = 1, nrr
!
tmp = maxval ( abs( rdw (:,:,ir)) )
WRITE(302, *) wslen(ir) * celldm (1) * bohr2ang, tmp
!
ENDDO
CLOSE(302)
#ifdef __PARA
ENDIF
CALL mp_barrier(inter_pool_comm)
#endif
IF (mpime.eq.ionode_id) THEN
OPEN(unit=302,file='decay.dynmat')
WRITE(302, '(/3x,a/)') '#Spatial decay of Dynamical matrix in Wannier basis'
DO ir = 1, nrr
!
tmp = maxval ( abs( rdw (:,:,ir)) )
WRITE(302, *) wslen(ir) * celldm (1) * bohr2ang, tmp
!
ENDDO
CLOSE(302)
ENDIF
CALL mp_barrier(inter_pool_comm)
!
END SUBROUTINE dynbloch2wan
!-----------------------------------------------------
......@@ -35,12 +35,10 @@
Delta, Znorm, ADelta, ADeltap, AZnorm, AZnormp, g2, lacon_fly, &
a2fij, wkfs, dosef, ixkqf, ixqfs, nqfs, w0g, nkfs, nbndfs, ef0, ekfs
USE constants_epw, ONLY : pi, ci
#ifdef __PARA
USE io_global, ONLY : ionode_id
USE mp_global, ONLY : inter_pool_comm
USE mp_world, ONLY : mpime
USE mp, ONLY : mp_bcast, mp_barrier, mp_sum
#endif
!
IMPLICIT NONE
!
......@@ -181,56 +179,51 @@
ENDDO ! ibnd
ENDDO ! ik
!
#ifdef __PARA
! collect contributions from all pools
CALL mp_sum( AZnorm, inter_pool_comm )
CALL mp_sum( ADelta, inter_pool_comm )
CALL mp_barrier(inter_pool_comm)
#endif
!
#ifdef __PARA
IF (mpime .eq. ionode_id) THEN
#endif
absdelta = 0.d0
reldelta = 0.d0
DO iw = 1, nsw ! loop over omega
DO ik = 1, nkfs
DO ibnd = 1, nbndfs
IF ( abs( ekfs(ibnd,ik) - ef0 ) .lt. fsthick ) THEN
weight = 0.5d0 * wkfs(ik) * w0g(ibnd,ik) / dosef
Znorm(iw) = Znorm(iw) + weight * AZnorm(ibnd,ik,iw)
Delta(iw) = Delta(iw) + weight * ADelta(ibnd,ik,iw)
AZnorm(ibnd,ik,iw) = 1.d0 + pi * AZnorm(ibnd,ik,iw) / ws(iw)
ADelta(ibnd,ik,iw) = pi * ADelta(ibnd,ik,iw) / AZnorm(ibnd,ik,iw)
ENDIF
ENDDO ! ibnd
ENDDO ! ik
Znorm(iw) = 1.0d0 + pi * Znorm(iw) / ws(iw)
Delta(iw) = pi * Delta(iw) / Znorm(iw)
reldelta = reldelta + abs( Delta(iw) - Deltaold(iw) )
absdelta = absdelta + abs( Delta(iw) )
ENDDO ! iw
errdelta = reldelta / absdelta
Deltaold(:) = Delta(:)
!
WRITE(stdout,'(5x,a,i6,a,ES20.10,a,ES20.10,a,ES20.10)') 'iter = ', iter, &
' error = ', errdelta, ' Re[Znorm(1)] = ', real(Znorm(1)), &
' Re[Delta(1)] = ', real(Delta(1))
!
IF ( errdelta .lt. conv_thr_racon ) conv = .true.
IF ( errdelta .lt. conv_thr_racon .OR. iter .eq. nsiter ) THEN
cname = 'acon'
CALL eliashberg_write_cont_raxis( itemp, cname )
ENDIF
!
IF ( conv .OR. iter .eq. nsiter ) THEN
WRITE(stdout,'(5x,a,i6)') 'Convergence was reached in nsiter = ', iter
ENDIF
IF ( .not. conv .AND. iter .eq. nsiter ) THEN
WRITE(stdout,'(5x,a,i6)') 'Convergence was not reached in nsiter = ', iter
CALL errore('analytic_cont_aniso_iaxis_to_raxis','increase nsiter or reduce conv_thr_racon',1)
ENDIF
#ifdef __PARA
absdelta = 0.d0
reldelta = 0.d0
DO iw = 1, nsw ! loop over omega
DO ik = 1, nkfs
DO ibnd = 1, nbndfs
IF ( abs( ekfs(ibnd,ik) - ef0 ) .lt. fsthick ) THEN
weight = 0.5d0 * wkfs(ik) * w0g(ibnd,ik) / dosef
Znorm(iw) = Znorm(iw) + weight * AZnorm(ibnd,ik,iw)
Delta(iw) = Delta(iw) + weight * ADelta(ibnd,ik,iw)
AZnorm(ibnd,ik,iw) = 1.d0 + pi * AZnorm(ibnd,ik,iw) / ws(iw)
ADelta(ibnd,ik,iw) = pi * ADelta(ibnd,ik,iw) / AZnorm(ibnd,ik,iw)
ENDIF
ENDDO ! ibnd
ENDDO ! ik
Znorm(iw) = 1.0d0 + pi * Znorm(iw) / ws(iw)
Delta(iw) = pi * Delta(iw) / Znorm(iw)
reldelta = reldelta + abs( Delta(iw) - Deltaold(iw) )
absdelta = absdelta + abs( Delta(iw) )
ENDDO ! iw
errdelta = reldelta / absdelta
Deltaold(:) = Delta(:)
!
WRITE(stdout,'(5x,a,i6,a,ES20.10,a,ES20.10,a,ES20.10)') 'iter = ', iter, &
' error = ', errdelta, ' Re[Znorm(1)] = ', real(Znorm(1)), &
' Re[Delta(1)] = ', real(Delta(1))
!
IF ( errdelta .lt. conv_thr_racon ) conv = .true.
IF ( errdelta .lt. conv_thr_racon .OR. iter .eq. nsiter ) THEN
cname = 'acon'
CALL eliashberg_write_cont_raxis( itemp, cname )
ENDIF
!
IF ( conv .OR. iter .eq. nsiter ) THEN
WRITE(stdout,'(5x,a,i6)') 'Convergence was reached in nsiter = ', iter
ENDIF
IF ( .not. conv .AND. iter .eq. nsiter ) THEN
WRITE(stdout,'(5x,a,i6)') 'Convergence was not reached in nsiter = ', iter
CALL errore('analytic_cont_aniso_iaxis_to_raxis','increase nsiter or reduce conv_thr_racon',1)
ENDIF
ENDIF
CALL mp_bcast( Delta, ionode_id, inter_pool_comm )
CALL mp_bcast( Znorm, ionode_id, inter_pool_comm )
......@@ -239,7 +232,6 @@
CALL mp_bcast( Agap, ionode_id, inter_pool_comm )
CALL mp_bcast( conv, ionode_id, inter_pool_comm )
CALL mp_barrier(inter_pool_comm)
#endif
!
IF ( conv .OR. iter .eq. nsiter ) THEN
!
......@@ -293,12 +285,10 @@
ADelta, AZnorm, ADeltai, AZnormi, &
wkfs, dosef, w0g, nkfs, nbndfs, ef0, ekfs
USE constants_epw, ONLY : cone, ci
#ifdef __PARA
USE io_global, ONLY : ionode_id
USE mp_global, ONLY : inter_pool_comm
USE mp_world, ONLY : mpime
USE mp, ONLY : mp_bcast, mp_barrier, mp_sum
#endif
!
IMPLICIT NONE
!
......@@ -360,40 +350,35 @@
ENDDO ! ibnd
ENDDO ! ik
!
#ifdef __PARA
! collect contributions from all pools
CALL mp_sum( AZnorm, inter_pool_comm )
CALL mp_sum( ADelta, inter_pool_comm )
CALL mp_barrier(inter_pool_comm)
#endif
!
#ifdef __PARA
IF (mpime .eq. ionode_id) THEN
#endif
DO iw = 1, nsw ! loop over omega
DO ik = 1, nkfs
DO ibnd = 1, nbndfs
IF ( abs( ekfs(ibnd,ik) - ef0 ) .lt. fsthick ) THEN
weight = 0.5d0 * wkfs(ik) * w0g(ibnd,ik) / dosef
Znorm(iw) = Znorm(iw) + weight * AZnorm(ibnd,ik,iw)
Delta(iw) = Delta(iw) + weight * ADelta(ibnd,ik,iw)
ENDIF
ENDDO ! ibnd
ENDDO ! ik
reldelta = reldelta + abs( Delta(iw) - Deltaold(iw) )
absdelta = absdelta + abs( Delta(iw) )
ENDDO ! iw
errdelta = reldelta / absdelta
!
IF ( errdelta .gt. 0.d0 ) THEN
conv = .true.
WRITE(stdout,'(5x,a,i6,a,ES20.10,a,ES20.10,a,ES20.10)') 'pade = ', N, &
' error = ', errdelta, ' Re[Znorm(1)] = ', real(Znorm(1)), &
' Re[Delta(1)] = ', real(Delta(1))
cname = 'pade'
CALL eliashberg_write_cont_raxis( itemp, cname )
ENDIF
#ifdef __PARA
DO iw = 1, nsw ! loop over omega
DO ik = 1, nkfs
DO ibnd = 1, nbndfs
IF ( abs( ekfs(ibnd,ik) - ef0 ) .lt. fsthick ) THEN
weight = 0.5d0 * wkfs(ik) * w0g(ibnd,ik) / dosef
Znorm(iw) = Znorm(iw) + weight * AZnorm(ibnd,ik,iw)
Delta(iw) = Delta(iw) + weight * ADelta(ibnd,ik,iw)
ENDIF
ENDDO ! ibnd
ENDDO ! ik
reldelta = reldelta + abs( Delta(iw) - Deltaold(iw) )
absdelta = absdelta + abs( Delta(iw) )
ENDDO ! iw
errdelta = reldelta / absdelta
!
IF ( errdelta .gt. 0.d0 ) THEN
conv = .true.
WRITE(stdout,'(5x,a,i6,a,ES20.10,a,ES20.10,a,ES20.10)') 'pade = ', N, &
' error = ', errdelta, ' Re[Znorm(1)] = ', real(Znorm(1)), &
' Re[Delta(1)] = ', real(Delta(1))
cname = 'pade'
CALL eliashberg_write_cont_raxis( itemp, cname )
ENDIF
ENDIF
CALL mp_bcast( Delta, ionode_id, inter_pool_comm )
CALL mp_bcast( Znorm, ionode_id, inter_pool_comm )
......@@ -401,7 +386,6 @@
CALL mp_bcast( Agap, ionode_id, inter_pool_comm )
CALL mp_bcast( conv, ionode_id, inter_pool_comm )
CALL mp_barrier(inter_pool_comm)
#endif
!
IF( ALLOCATED(Deltaold) ) DEALLOCATE(Deltaold)
IF( ALLOCATED(a) ) DEALLOCATE(a)
......
This diff is collapsed.
......@@ -21,9 +21,7 @@
limag, lpade, lacon
USE eliashbergcom, ONLY : nsw, nsiw, Deltai, Deltaip, Delta, Deltap, estemp
USE constants_epw, ONLY : kelvin2eV, ci
#ifdef __PARA
USE mp, ONLY : mp_bcast, mp_barrier, mp_sum
#endif
USE mp, ONLY : mp_bcast, mp_barrier, mp_sum
!
IMPLICIT NONE
!
......
......@@ -21,9 +21,7 @@
USE epwcom, ONLY : nsiter, nstemp, broyden_beta, broyden_ndim
USE eliashbergcom, ONLY : nsw, Delta, Deltap, gap, estemp
USE constants_epw, ONLY : kelvin2eV, ci
#ifdef __PARA
USE mp, ONLY : mp_bcast, mp_barrier, mp_sum
#endif
USE mp, ONLY : mp_bcast, mp_barrier, mp_sum
!
IMPLICIT NONE
!
......
This diff is collapsed.
This diff is collapsed.
......@@ -54,12 +54,10 @@
!!
!---------------------------------------------------------------------
!
#ifdef __PARA
USE mp_global, ONLY : my_pool_id, nproc_pool, &
intra_pool_comm, &
inter_pool_comm
USE mp, ONLY : mp_barrier, mp_bcast, mp_put,mp_sum
#endif
USE kinds, ONLY : DP
USE io_global, ONLY : stdout
USE wavefunctions_module, ONLY: evc
......@@ -142,10 +140,8 @@
IF (ALLOCATED(xkq) ) DEALLOCATE (xkq)
IF (.not. ALLOCATED(xkq) ) ALLOCATE (xkq (3, nkstot) )
xkq(:,:) = 0.d0
#ifdef __PARA
IF (nproc_pool>1) call errore &
('elphel2_shuffle', 'ONLY one proc per pool in shuffle mode', 1)
#endif
!
! find the bounds of k-dependent arrays in the parallel case in each pool
CALL fkbounds( nkstot, lower_bnd, upper_bnd )
......@@ -163,10 +159,8 @@
! close all .wfc files in order to prepare shuffled read
!
CLOSE (unit = iuwfc, status = 'keep')
#ifdef __PARA
! never remove this barrier
CALL mp_barrier(inter_pool_comm)
#endif
!
DO ik = 1, nks
!
......@@ -182,9 +176,7 @@
! (we need to make sure that xk(:,ikq) is really k+q for the KB projectors
! below and also that the eigenvalues are taken correctly in ephwann)
!
#ifdef __PARA
ipooltmp= my_pool_id+1
#endif
!
!
CALL ktokpmq ( xk (:, ik), xq, +1, ipool, nkq, nkq_abs )
......@@ -217,10 +209,8 @@
igk = igk_k_all(1:npw,ik+lower_bnd-1)
igkq = igk_k_all(1:npwq,nkq_abs)
!
#ifdef __PARA
IF (nks.gt.1 .and. maxval(igkq(1:npwq)).gt.ngxx) &
CALL errore ('elphel2_shuffle', 'ngxx too small', 1 )
#endif
!
! ----------------------------------------------------------------
! Set the gauge for the eigenstates: unitary transform and phases
......@@ -396,9 +386,7 @@
! endif
!END
#ifdef __PARA
CALL mp_sum(elphmat, intra_pool_comm)
#endif
!
! Rotate elphmat with the gauge matrices (this should be equivalent
! to calculate elphmat with the truely rotated eigenstates)
......@@ -432,10 +420,8 @@
! restore original configuration of files
!
CALL diropn (iuwfc, 'wfc', lrwfc, exst)
#ifdef __PARA
! never remove this barrier - > insures that wfcs are restored to each pool before moving on
CALL mp_barrier(inter_pool_comm)
#endif
!
DEALLOCATE (elphmat, eptmp, aux1, aux2)
DEALLOCATE (gmap, shift)
......
......@@ -21,15 +21,11 @@
!
!-----------------------------------------------------------------------
!
#ifdef __PARA
USE mp, ONLY : mp_barrier, mp_sum
USE mp_global, ONLY : my_pool_id, nproc_pool,npool,kunit,&
inter_pool_comm
USE mp_images, ONLY : nproc_image
USE pwcom, ONLY : nkstot
#endif
!
USE pwcom, ONLY : nbnd, ngm, doublegrid, nks
USE pwcom, ONLY : nbnd, ngm, doublegrid, nks, nkstot
USE kinds, ONLY : DP
USE modes, ONLY : nmodes, nirr, npert, u
USE elph2, ONLY : epmatq, el_ph_mat
......@@ -52,11 +48,7 @@
! true if we are using time reversal
!
integer :: tmp_pool_id, ik0, ik, ibnd, jbnd
!
#ifdef __PARA
integer :: iks, nkl, nkr
#endif
!
integer :: gmapsym ( ngm, 48 ), isym
! the correspondence G-->S(G)
! the symmetry which generates the current q in the star
......@@ -70,8 +62,6 @@
ik0 = 0
tmp_pool_id = 0
!
#ifdef __PARA
!
npool = nproc_image / nproc_pool
IF (npool.gt.1) THEN
!
......@@ -92,8 +82,6 @@
!
ENDIF
!
#endif
!
! read Delta Vscf and calculate electron-phonon coefficients
!
imode0 = 0
......@@ -108,17 +96,13 @@
! read the <prefix>.dvscf_q[iq] files