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Removal of USE input_parameters 

Module input_parameters should be used ONLY to read input variables.
Once variables are read, they must be copied into QE modules and
input_parameters should be no longer used. Morever, input_parameters
is initialized ONLY when input is read, NOT when the data file is read.
This commit is contained in:
Paolo Giannozzi 2019-07-13 21:23:32 +02:00
parent 4273380104
commit 0c73b496bc
12 changed files with 12 additions and 22 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
GWW/head/make.depend
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@ -59,7 +59,6 @@ openfilq.o : ../../PW/src/pwcom.o
phq_readin.o : ../../LR_Modules/lrcom.o
phq_readin.o : ../../Modules/check_stop.o
phq_readin.o : ../../Modules/control_flags.o
phq_readin.o : ../../Modules/input_parameters.o
phq_readin.o : ../../Modules/io_files.o
phq_readin.o : ../../Modules/io_global.o
phq_readin.o : ../../Modules/ions_base.o

3
GWW/head/phq_readin.f90
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@ -25,8 +25,7 @@ SUBROUTINE phq_readin()
USE mp_world, ONLY : world_comm
USE ions_base, ONLY : amass, atm
USE check_stop, ONLY : max_seconds
USE input_parameters, ONLY : nk1, nk2, nk3, k1, k2, k3
USE start_k, ONLY : reset_grid
USE start_k, ONLY : reset_grid, nk1, nk2, nk3, k1, k2, k3
USE klist, ONLY : xk, nks, nkstot, lgauss, two_fermi_energies, ltetra
USE control_flags, ONLY : gamma_only, tqr, restart
USE uspp, ONLY : okvan

2
HP/src/hp_bcast_input.f90
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@ -19,7 +19,7 @@ SUBROUTINE hp_bcast_input ( )
USE mp_world, ONLY : world_comm
USE io_files, ONLY : tmp_dir, prefix
USE control_flags, ONLY : iverbosity
USE input_parameters, ONLY : max_seconds
USE check_stop, ONLY : max_seconds
USE io_global, ONLY : meta_ionode_id
USE control_lr, ONLY : lrpa, ethr_nscf
USE ldaU_hp, ONLY : conv_thr_chi, thresh_init, find_atpert, skip_atom, &

2
HP/src/hp_readin.f90
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@ -17,7 +17,7 @@ SUBROUTINE hp_readin()
USE io_global, ONLY : meta_ionode, meta_ionode_id
USE mp, ONLY : mp_bcast
USE mp_world, ONLY : world_comm
USE input_parameters, ONLY : max_seconds
USE check_stop, ONLY : max_seconds
USE io_files, ONLY : tmp_dir, prefix, create_directory
USE control_flags, ONLY : iverbosity
USE control_lr, ONLY : ethr_nscf, lrpa

4
HP/src/make.depend
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@ -11,8 +11,8 @@ hp_allocate_q.o : ../../PW/src/ldaU.o
hp_allocate_q.o : ../../PW/src/pwcom.o
hp_allocate_q.o : hpcom.o
hp_bcast_input.o : ../../LR_Modules/lrcom.o
hp_bcast_input.o : ../../Modules/check_stop.o
hp_bcast_input.o : ../../Modules/control_flags.o
hp_bcast_input.o : ../../Modules/input_parameters.o
hp_bcast_input.o : ../../Modules/io_files.o
hp_bcast_input.o : ../../Modules/io_global.o
hp_bcast_input.o : ../../Modules/mp_world.o
@ -203,8 +203,8 @@ hp_read_dnsq.o : ../../PW/src/ldaU.o
hp_read_dnsq.o : ../../PW/src/pwcom.o
hp_read_dnsq.o : hpcom.o
hp_readin.o : ../../LR_Modules/lrcom.o
hp_readin.o : ../../Modules/check_stop.o
hp_readin.o : ../../Modules/control_flags.o
hp_readin.o : ../../Modules/input_parameters.o
hp_readin.o : ../../Modules/io_files.o
hp_readin.o : ../../Modules/io_global.o
hp_readin.o : ../../Modules/kind.o

2
PHonon/PH/bcast_ph_input.f90
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@ -32,7 +32,7 @@ subroutine bcast_ph_input ( )
USE control_flags, only: iverbosity, modenum
USE ramanm, ONLY: lraman, elop, dek, eth_rps, eth_ns
USE check_stop, ONLY: max_seconds
USE input_parameters, ONLY : nk1, nk2, nk3, k1, k2, k3
USE start_k, ONLY : nk1, nk2, nk3, k1, k2, k3
USE ions_base, ONLY : amass
USE io_global, ONLY : meta_ionode_id
USE run_info, ONLY : title

5
PHonon/PH/make.depend
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@ -144,12 +144,12 @@ alpha2f.o : phcom.o
bcast_ph_input.o : ../../LR_Modules/lrcom.o
bcast_ph_input.o : ../../Modules/check_stop.o
bcast_ph_input.o : ../../Modules/control_flags.o
bcast_ph_input.o : ../../Modules/input_parameters.o
bcast_ph_input.o : ../../Modules/io_files.o
bcast_ph_input.o : ../../Modules/io_global.o
bcast_ph_input.o : ../../Modules/ions_base.o
bcast_ph_input.o : ../../Modules/mp_world.o
bcast_ph_input.o : ../../Modules/run_info.o
bcast_ph_input.o : ../../PW/src/start_k.o
bcast_ph_input.o : ../../UtilXlib/mp.o
bcast_ph_input.o : dfile_star.o
bcast_ph_input.o : elph.o
@ -1024,7 +1024,6 @@ openfilq.o : ../../LR_Modules/lrcom.o
openfilq.o : ../../Modules/cell_base.o
openfilq.o : ../../Modules/control_flags.o
openfilq.o : ../../Modules/fft_base.o
openfilq.o : ../../Modules/input_parameters.o
openfilq.o : ../../Modules/io_files.o
openfilq.o : ../../Modules/io_global.o
openfilq.o : ../../Modules/ions_base.o
@ -1036,6 +1035,7 @@ openfilq.o : ../../Modules/uspp.o
openfilq.o : ../../PW/src/buffers.o
openfilq.o : ../../PW/src/ldaU.o
openfilq.o : ../../PW/src/pwcom.o
openfilq.o : ../../PW/src/start_k.o
openfilq.o : acfdtest.o
openfilq.o : dfile_autoname.o
openfilq.o : dfile_star.o
@ -1123,7 +1123,6 @@ phq_readin.o : ../../Modules/check_stop.o
phq_readin.o : ../../Modules/control_flags.o
phq_readin.o : ../../Modules/fft_base.o
phq_readin.o : ../../Modules/funct.o
phq_readin.o : ../../Modules/input_parameters.o
phq_readin.o : ../../Modules/io_files.o
phq_readin.o : ../../Modules/io_global.o
phq_readin.o : ../../Modules/ions_base.o

2
PHonon/PH/openfilq.f90
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@ -41,7 +41,7 @@ SUBROUTINE openfilq()
USE buffers, ONLY : open_buffer, close_buffer
USE ramanm, ONLY : lraman, elop, iuchf, iud2w, iuba2, lrchf, lrd2w, lrba2
USE acfdtest, ONLY : acfdt_is_active, acfdt_num_der
USE input_parameters,ONLY : nk1, nk2, nk3
USE start_k, ONLY : nk1, nk2, nk3
USE el_phon, ONLY : elph, elph_mat, iunwfcwann, lrwfcr
USE dfile_star, ONLY : dvscf_star
USE dfile_autoname, ONLY : dfile_name

3
PHonon/PH/phq_readin.f90
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@ -22,8 +22,7 @@ SUBROUTINE phq_readin()
USE mp_world, ONLY : world_comm
USE ions_base, ONLY : amass, atm
USE check_stop, ONLY : max_seconds
USE input_parameters, ONLY : nk1, nk2, nk3, k1, k2, k3
USE start_k, ONLY : reset_grid
USE start_k, ONLY : nk1, nk2, nk3, k1, k2, k3, reset_grid
USE klist, ONLY : xk, nks, nkstot, lgauss, two_fermi_energies, ltetra
USE control_flags, ONLY : gamma_only, tqr, restart, io_level, &
ts_vdw, ldftd3, lxdm

1
PP/src/make.depend
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@ -336,7 +336,6 @@ open_grid.o : ../../Modules/environment.o
open_grid.o : ../../Modules/fft_base.o
open_grid.o : ../../Modules/funct.o
open_grid.o : ../../Modules/gvecw.o
open_grid.o : ../../Modules/input_parameters.o
open_grid.o : ../../Modules/io_files.o
open_grid.o : ../../Modules/io_global.o
open_grid.o : ../../Modules/ions_base.o

7
PP/src/open_grid.f90
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@ -30,15 +30,13 @@ PROGRAM open_grid
USE scf, ONLY : rho
USE lsda_mod, ONLY : nspin, isk, lsda, starting_magnetization
USE io_rho_xml, ONLY : write_scf
USE input_parameters, ONLY : nk1, nk2, nk3, k1, k2, k3, k_points, &
occupations, calculation !, nkstot,
USE start_k, ONLY : nk1, nk2, nk3, k1, k2, k3
USE noncollin_module, ONLY : nspin_mag, npol
USE fft_interfaces, ONLY : fwfft
!
USE qexsd_module, ONLY : qexsd_input_obj
USE qes_types_module, ONLY : input_type
USE fft_base, ONLY : dffts
!USE qexsd_input, ONLY : qexsd_init_k_points_ibz
USE control_flags, ONLY : gamma_only, io_level
USE start_k, ONLY : init_start_k
USE extfield, ONLY : gate
@ -216,9 +214,6 @@ PROGRAM open_grid
nk1 = nq1
nk2 = nq2
nk3 = nq3
calculation = 'bands'
k_points = "automatic"
!CALL init_start_k(nk1,nk2,nk3, k1, k2, k3, "automatic",nks/nspin_mag, xk, wk)
CALL init_start_k(nk1,nk2,nk3, k1, k2, k3, "automatic",nks/nspin_lsda, xk, wk)
!
! Restore EXX variables

2
TDDFPT/src/lr_readin.f90
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@ -30,7 +30,7 @@ SUBROUTINE lr_readin
USE io_global, ONLY : ionode, ionode_id, stdout
USE klist, ONLY : nks, wk, nelec, lgauss, ltetra
USE fixed_occ, ONLY : tfixed_occ
USE input_parameters, ONLY : degauss, nosym, wfcdir, outdir
USE input_parameters, ONLY : nosym, wfcdir, outdir
USE check_stop, ONLY : max_seconds
USE realus, ONLY : real_space, init_realspace_vars, generate_qpointlist, &
betapointlist