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reduce_io (logical) replaced by io_level (integer) 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3810 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2007-02-22 11:22:57 +00:00
parent a695a60e60
commit 6f8c1fbe53
16 changed files with 34 additions and 33 deletions
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4
Gamma/phcg.f90
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@ -453,7 +453,7 @@ SUBROUTINE newscf
USE noncollin_module, ONLY: report
! USE funct, only :
USE io_files, ONLY : iunigk, iunwfc, input_drho, output_drho
USE control_flags, ONLY : restart, reduce_io, lscf, istep, iprint, &
USE control_flags, ONLY : restart, io_level, lscf, istep, iprint, &
pot_order, wfc_order, david, max_cg_iter, &
isolve, tr2, ethr, mixing_beta, nmix, niter
!
@ -466,7 +466,7 @@ SUBROUTINE newscf
!
! dft='Same as Before'
restart =.FALSE.
reduce_io=.TRUE.
io_level = 0
lscf=.TRUE.
lda_plus_u=.FALSE.
doublegrid=.FALSE.

6
Modules/control_flags.f90
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@ -260,8 +260,8 @@ MODULE control_flags
!
! ... printout control
!
LOGICAL, PUBLIC :: &
reduce_io ! if .TRUE. reduce the I/O to the strict minimum
INTEGER, PUBLIC :: &
io_level ! variable controlling the amount of I/O to file
INTEGER, PUBLIC :: &
iverbosity ! type of printing ( 0 few, 1 all )
!
@ -293,7 +293,7 @@ MODULE control_flags
! ... Parameter for plotting Vh average
!
LOGICAL, PUBLIC :: tvhmean = .FALSE.
! if TRUE save Vh averag to file Vh_mean.out
! if TRUE save Vh average to file Vh_mean.out
REAL(DP), PUBLIC :: vhrmin = 0.0d0
! starting "radius" for plotting
REAL(DP), PUBLIC :: vhrmax = 1.0d0

6
PW/c_bands.f90
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@ -25,7 +25,7 @@ SUBROUTINE c_bands( iter, ik_, dr2 )
USE uspp, ONLY : vkb, nkb
USE gvect, ONLY : g, nrxx, nr1, nr2, nr3
USE wvfct, ONLY : et, nbnd, npwx, igk, npw, current_k
USE control_flags, ONLY : ethr, isolve, reduce_io
USE control_flags, ONLY : ethr, isolve, io_level
USE ldaU, ONLY : lda_plus_u, swfcatom
USE lsda_mod, ONLY : current_spin, lsda, isk
USE noncollin_module, ONLY : noncolin, npol
@ -111,7 +111,7 @@ SUBROUTINE c_bands( iter, ik_, dr2 )
!
! ... read in wavefunctions from the previous iteration
!
IF ( nks > 1 .OR. .NOT. reduce_io .OR. lelfield ) &
IF ( nks > 1 .OR. (io_level > 1) .OR. lelfield ) &
CALL get_buffer ( evc, nwordwfc, iunwfc, ik )
!
! ... Needed for LDA+U
@ -126,7 +126,7 @@ SUBROUTINE c_bands( iter, ik_, dr2 )
! ... iterative diagonalization of the next scf iteration
! ... and for rho calculation
!
IF ( nks > 1 .OR. .NOT. reduce_io .OR. lelfield ) &
IF ( nks > 1 .OR. (io_level > 1) .OR. lelfield ) &
CALL save_buffer ( evc, nwordwfc, iunwfc, ik )
!
! ... save restart information

4
PW/electrons.f90
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@ -39,7 +39,7 @@ SUBROUTINE electrons()
tauk, taukg, kedtau, kedtaur
USE control_flags, ONLY : mixing_beta, tr2, ethr, niter, nmix, &
iprint, istep, lscf, lmd, conv_elec, &
restart, reduce_io
restart, io_level
USE io_files, ONLY : iunwfc, iunocc, nwordwfc, output_drho, &
iunefield
USE buffers, ONLY : save_buffer
@ -497,7 +497,7 @@ SUBROUTINE electrons()
!
! ... save converged wfc if they have not been written previously
!
IF ( nks == 1 .AND. reduce_io ) &
IF ( nks == 1 .AND. (io_level < 2) ) &
CALL save_buffer ( evc, nwordwfc, iunwfc, nks )
!
! ... calculate the polarization

6
PW/input.f90
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@ -136,7 +136,7 @@ SUBROUTINE iosys()
nosym_ => nosym, &
modenum_ => modenum, &
lkpoint_dir_ => lkpoint_dir, &
reduce_io, ethr, lscf, lbfgs, lmd, lpath, lneb, &
io_level, ethr, lscf, lbfgs, lmd, lpath, lneb, &
lsmd, lphonon, ldamped, lbands, lmetadyn, llang, &
lconstrain, lcoarsegrained, restart, twfcollect, &
use_para_diago
@ -560,11 +560,11 @@ SUBROUTINE iosys()
SELECT CASE( TRIM( disk_io ) )
CASE( 'high' )
!
reduce_io = .FALSE.
io_level = 2
!
CASE DEFAULT
!
reduce_io = .TRUE.
io_level = 1
restart = .FALSE.
!
END SELECT

6
PW/make.depend
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@ -189,9 +189,11 @@ clean_pw.o : ../Modules/wavefunctions.o
clean_pw.o : dynamics_module.o
clean_pw.o : noncol.o
clean_pw.o : pwcom.o
close_files.o : ../Modules/control_flags.o
close_files.o : ../Modules/io_files.o
close_files.o : ../Modules/mp.o
close_files.o : ../Modules/mp_global.o
close_files.o : buffers.o
close_files.o : pwcom.o
complex_diis_module.o : ../Modules/constants.o
complex_diis_module.o : ../Modules/control_flags.o
@ -721,6 +723,8 @@ paw.o : ../Modules/ions_base.o
paw.o : ../Modules/kind.o
paw.o : ../Modules/parameters.o
paw.o : ../Modules/read_upf.o
paw.o : ../Modules/splinelib.o
paw.o : ../Modules/uspp.o
potinit.o : ../Modules/cell_base.o
potinit.o : ../Modules/control_flags.o
potinit.o : ../Modules/io_files.o
@ -830,6 +834,7 @@ read_file.o : ../Modules/mp_global.o
read_file.o : ../Modules/uspp.o
read_file.o : ../Modules/wavefunctions.o
read_file.o : ../Modules/xml_io_base.o
read_file.o : buffers.o
read_file.o : noncol.o
read_file.o : pw_restart.o
read_file.o : pwcom.o
@ -1143,6 +1148,7 @@ upf_to_internal.o : ../Modules/ions_base.o
upf_to_internal.o : ../Modules/parameters.o
upf_to_internal.o : ../Modules/pseudo_types.o
upf_to_internal.o : ../Modules/uspp.o
upf_to_internal.o : paw.o
upf_to_internal.o : pwcom.o
usnldiag.o : ../Modules/ions_base.o
usnldiag.o : ../Modules/kind.o

4
PW/mix_rho.f90
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@ -27,7 +27,7 @@ SUBROUTINE mix_rho( rhocout, rhocin, taukout, taukin, nsout, nsin, alphamix, &
USE ldaU, ONLY : lda_plus_u, Hubbard_lmax
USE funct, ONLY : dft_is_meta
USE lsda_mod, ONLY : nspin
USE control_flags, ONLY : imix, ngm0, tr2, reduce_io
USE control_flags, ONLY : imix, ngm0, tr2, io_level
USE io_files, ONLY : find_free_unit
USE cell_base, ONLY : omega
!
@ -119,7 +119,7 @@ SUBROUTINE mix_rho( rhocout, rhocin, taukout, taukin, nsout, nsin, alphamix, &
!
IF ( lda_plus_u ) ldim = 2 * Hubbard_lmax + 1
!
savetofile = .not. reduce_io
savetofile = (io_level > 1)
!
rhocout(:,:) = rhocout(:,:) - rhocin(:,:)
tmeta = dft_is_meta()

4
PW/non_scf.f90
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@ -15,7 +15,7 @@
!
USE kinds, ONLY : DP
USE bp, ONLY : lelfield, lberry
USE control_flags, ONLY : lbands, reduce_io
USE control_flags, ONLY : lbands, io_level
USE ener, ONLY : ef
USE io_global, ONLY : stdout, ionode
USE io_files, ONLY : iunwfc, nwordwfc, iunefield
@ -80,7 +80,7 @@
!
! ... save converged wfc if they have not been written previously
!
IF ( nks == 1 .AND. reduce_io ) &
IF ( nks == 1 .AND. (io_level < 2) ) &
CALL save_buffer ( evc, nwordwfc, iunwfc, nks )
!
! ... do a Berry phase polarization calculation if required

4
PW/save_in_cbands.f90
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@ -11,7 +11,7 @@ subroutine save_in_cbands (iter, ik_, dr2)
USE kinds, ONLY: DP
USE io_files, ONLY: iunres, prefix
USE klist, ONLY: nks
USE control_flags, ONLY: reduce_io, tr2, ethr
USE control_flags, ONLY: io_level, tr2, ethr
USE wvfct, ONLY: nbnd, et
implicit none
character :: where * 20
@ -23,7 +23,7 @@ subroutine save_in_cbands (iter, ik_, dr2)
logical :: exst
real(DP) :: dr2
if (reduce_io) return
if ( io_level < 2 ) return
!
! open recover file
!

4
PW/save_in_electrons.f90
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@ -12,7 +12,7 @@ subroutine save_in_electrons (iter, dr2)
USE io_files, ONLY: iunres, prefix
USE ener, ONLY: etot
USE klist, ONLY: nks
USE control_flags, ONLY: reduce_io, conv_elec, tr2, ethr
USE control_flags, ONLY: io_level, conv_elec, tr2, ethr
USE wvfct, ONLY: nbnd, et
USE vlocal, ONLY: vnew
implicit none
@ -26,7 +26,7 @@ subroutine save_in_electrons (iter, dr2)
real(DP) :: dr2
if (reduce_io) return
if ( io_level < 2 ) return
!
! open recover file
!

7
PW/save_in_ions.f90
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@ -11,7 +11,7 @@ subroutine save_in_ions
USE kinds, ONLY: DP
USE io_files, ONLY: iunres, prefix
USE klist, ONLY: nks
USE control_flags, ONLY: reduce_io, lscf, tr2, ethr
USE control_flags, ONLY: io_level, lscf, tr2, ethr
USE wvfct, ONLY: nbnd, et
implicit none
character :: where * 20
@ -21,10 +21,9 @@ subroutine save_in_ions
! last completed kpoint
! last completed iteration
logical :: exst
real(DP) :: dr2
if (reduce_io.or..not.lscf) return
!
if ( io_level < 2 .or. .not.lscf ) return
!
! open recover file
!

6
PW/wfcinit.f90
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@ -18,7 +18,7 @@ SUBROUTINE wfcinit()
USE basis, ONLY : natomwfc, startingwfc
USE bp, ONLY : lelfield
USE klist, ONLY : xk, nks, ngk
USE control_flags, ONLY : reduce_io, lscf
USE control_flags, ONLY : io_level, lscf
USE ldaU, ONLY : swfcatom, lda_plus_u
USE lsda_mod, ONLY : lsda, current_spin, isk
USE io_files, ONLY : nwordwfc, nwordatwfc, iunwfc, iunigk, iunsat
@ -80,7 +80,7 @@ SUBROUTINE wfcinit()
! ... memory if c_bands will not do it (for a single k-point);
! ... return and do nothing otherwise (c_bands will read wavefunctions)
!
IF ( nks == 1 .AND. reduce_io ) &
IF ( nks == 1 .AND. (io_level < 2) ) &
CALL get_buffer ( evc, nwordwfc, iunwfc, 1 )
!
CALL stop_clock( 'wfcinit' )
@ -119,7 +119,7 @@ SUBROUTINE wfcinit()
!
! ... write starting wavefunctions to file
!
IF ( nks > 1 .OR. .NOT. reduce_io ) &
IF ( nks > 1 .OR. (io_level > 1) ) &
CALL save_buffer ( evc, nwordwfc, iunwfc, ik )
!
END DO

3
VdW/check_v_eff.f90
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@ -35,8 +35,7 @@ SUBROUTINE check_v_eff ( veff, charge )
npw
USE gsmooth, ONLY : nls, nlsm, nr1s, nr2s, nr3s, &
nrx1s, nrx2s, nrx3s, nrxxs, doublegrid
USE control_flags, ONLY : diis_ndim, ethr, lscf, max_cg_iter, &
isolve, reduce_io
USE control_flags, ONLY : diis_ndim, ethr, lscf, max_cg_iter, isolve
USE ldaU, ONLY : lda_plus_u, swfcatom
USE scf, ONLY : rho, vltot, vrs, v_of_0
USE lsda_mod, ONLY : nspin, current_spin, lsda, isk

1
VdW/make.depend
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@ -65,7 +65,6 @@ print_clock_vdw.o : ../PH/phcom.o
print_clock_vdw.o : ../PH/ramanm.o
solve_e.o : ../Modules/cell_base.o
solve_e.o : ../Modules/check_stop.o
solve_e.o : ../Modules/control_flags.o
solve_e.o : ../Modules/io_files.o
solve_e.o : ../Modules/io_global.o
solve_e.o : ../Modules/ions_base.o

1
VdW/print_clock_vdw.f90
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@ -11,7 +11,6 @@ subroutine print_clock_vdw
USE io_global, ONLY : stdout
USE uspp, only: okvan
USE control_ph
USE ramanm, ONLY: lraman, elop
USE nlcc_ph, ONLY: nlcc_any
implicit none

1
VdW/solve_e.f90
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@ -32,7 +32,6 @@ subroutine solve_e_vdw ( iu )
USE becmod, ONLY : becp
USE uspp_param, ONLY : nhm
use phcom
USE control_flags, ONLY : reduce_io
USE phus, ONLY : becp1
USE eff_v, ONLY : nelecr, veff, et_c, dvext, evc => evc_veff, &
dpsi_eff