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Removal of useless calls to iotk; replace two-line module qes_module with 

two lines; one XLM corrected to XML; make.depend updated
This commit is contained in:
Paolo Giannozzi 2018-05-15 15:05:08 +02:00
parent 380fe07af7
commit eb8f4f9b11
11 changed files with 24 additions and 36 deletions
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13
CPV/src/cp_restart_new.f90
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@ -20,7 +20,8 @@ MODULE cp_restart_new
USE kinds, ONLY : DP
#if !defined(__OLDXML)
!
USE qes_module
USE qes_types_module
USE qes_libs_module
USE qexsd_input, ONLY: qexsd_init_k_points_ibz
USE qexsd_module, ONLY: qexsd_init_schema, qexsd_openschema, qexsd_closeschema, &
qexsd_init_convergence_info, qexsd_init_algorithmic_info, &
@ -493,7 +494,6 @@ MODULE cp_restart_new
ekincm, c02, cm2, wfc )
!------------------------------------------------------------------------
!
USE iotk_module
USE FoX_dom, ONLY : parseFile, destroy, item, getElementsByTagname,&
Node
USE control_flags, ONLY : gamma_only, force_pairing, llondon,&
@ -620,10 +620,11 @@ MODULE cp_restart_new
LOGICAL :: x_gamma_extrapolation
REAL(dp):: hubbard_dum(3,nsp)
CHARACTER(LEN=6), EXTERNAL :: int_to_char
INTEGER, EXTERNAL :: find_free_unit
!
! ... look for an empty unit
!
CALL iotk_free_unit( iunpun, ierr )
iunpun = find_free_unit( )
CALL errore( 'cp_readfile', &
'no free units to read wavefunctions', ierr )
!
@ -1836,13 +1837,13 @@ MODULE cp_restart_new
REAL(DP) :: b1_(3), b2_(3), b3_(3)
REAL(DP) :: tau_(3,nat)
CHARACTER(LEN=3) :: atm_(ntypx)
CHARACTER(iotk_attlenx) :: attr
TYPE(output_type) :: output_obj
TYPE(Node),POINTER :: root, simpleNode, timestepsNode, cellNode, stepNode
INTEGER, EXTERNAL :: find_free_unit
!
! ... look for an empty unit
!
CALL iotk_free_unit( iunpun, ierr )
iunpun = find_free_unit( )
CALL errore( 'cp_read_cell', 'no free units ', ierr )
!
CALL qexsd_init_schema( iunpun )
@ -1942,7 +1943,7 @@ MODULE cp_restart_new
END IF
CALL destroy (root)
!
100 CALL errore( 'cp_read_cell ', attr, ierr )
100 CALL errore( 'cp_read_cell ', 'error reading MD steps', ierr )
!
END SUBROUTINE cp_read_cell

3
CPV/src/make.depend
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@ -178,7 +178,7 @@ cp_restart_new.o : ../../Modules/mp_global.o
cp_restart_new.o : ../../Modules/mp_images.o
cp_restart_new.o : ../../Modules/mp_pools.o
cp_restart_new.o : ../../Modules/parameters.o
cp_restart_new.o : ../../Modules/qes_module.o
cp_restart_new.o : ../../Modules/qes_libs.o
cp_restart_new.o : ../../Modules/qes_read_module.o
cp_restart_new.o : ../../Modules/qes_types.o
cp_restart_new.o : ../../Modules/qexsd.o
@ -189,7 +189,6 @@ cp_restart_new.o : ../../Modules/tsvdw.o
cp_restart_new.o : ../../Modules/uspp.o
cp_restart_new.o : ../../Modules/wrappers.o
cp_restart_new.o : ../../UtilXlib/mp.o
cp_restart_new.o : ../../iotk/src/iotk_module.o
cp_restart_new.o : cp_interfaces.o
cp_restart_new.o : energies.o
cp_restart_new.o : ldaU_cp.o

1
Modules/Makefile
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@ -105,7 +105,6 @@ xc_rVV10.o \
xml_input.o \
xml_io_base.o \
io_base.o \
qes_module.o \
qes_types.o \
qes_libs.o \
qes_read_module.o \

5
Modules/make.depend
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@ -231,7 +231,6 @@ pw_dot.o : recvec.o
qeh5_module.o : kind.o
qes_libs.o : kind.o
qes_libs.o : qes_types.o
qes_module.o : ../iotk/src/iotk_module.o
qes_module.o : qes_libs.o
qes_module.o : qes_types.o
qes_read_module.o : kind.o
@ -257,14 +256,14 @@ qexsd.o : mp_world.o
qexsd.o : noncol.o
qexsd.o : parameters.o
qexsd.o : qes_libs.o
qexsd.o : qes_module.o
qexsd.o : qes_types.o
qexsd.o : version.o
qexsd_input.o : ../iotk/src/iotk_base.o
qexsd_input.o : constants.o
qexsd_input.o : input_parameters.o
qexsd_input.o : kind.o
qexsd_input.o : qes_module.o
qexsd_input.o : qes_libs.o
qexsd_input.o : qes_types.o
qmmm.o : ../FFTXlib/fft_types.o
qmmm.o : ../UtilXlib/mp.o
qmmm.o : ../UtilXlib/parallel_include.o

13
Modules/qes_module.f90
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@ -1,13 +0,0 @@
!
! Copyright (C) 2003-2016 Quantum ESPRESSO group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
MODULE qes_module
USE iotk_module
USE qes_types_module
USE qes_libs_module
END MODULE qes_module

3
Modules/qexsd.f90
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@ -27,7 +27,8 @@ MODULE qexsd_module
USE global_version, ONLY: version_number, svn_revision
!
USE constants, ONLY : e2
USE qes_module
USE qes_types_module
USE qes_libs_module
!
USE FoX_wxml
!

5
Modules/qexsd_input.f90
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@ -5,7 +5,7 @@
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
#if defined(__OLDXLM)
#if defined(__OLDXML)
!
MODULE qexsd_input
IMPLICIT NONE
@ -26,7 +26,8 @@ MODULE qexsd_input
!
USE iotk_base, ONLY : iotk_indent, iotk_maxindent
USE constants, ONLY : e2,bohr_radius_angs
USE qes_module
USE qes_types_module
USE qes_libs_module
!
IMPLICIT NONE
!

2
PP/src/make.depend
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@ -215,7 +215,7 @@ elf.o : ../../Modules/control_flags.o
elf.o : ../../Modules/fft_base.o
elf.o : ../../Modules/io_files.o
elf.o : ../../Modules/kind.o
elf.o : ../../Modules/mp_global.o
elf.o : ../../Modules/mp_pools.o
elf.o : ../../Modules/recvec.o
elf.o : ../../Modules/wavefunctions.o
elf.o : ../../PW/src/pwcom.o

5
PW/src/make.depend
View File

@ -271,7 +271,6 @@ clean_pw.o : ../../Modules/tsvdw.o
clean_pw.o : ../../Modules/uspp.o
clean_pw.o : ../../Modules/wannier_new.o
clean_pw.o : ../../Modules/wavefunctions.o
clean_pw.o : ../../dft-d3/api.o
clean_pw.o : ../../dft-d3/dftd3_qe.o
clean_pw.o : Coul_cut_2D.o
clean_pw.o : atomic_wfc_mod.o
@ -1498,7 +1497,8 @@ pw_init_qexsd_input.o : ../../Modules/input_parameters.o
pw_init_qexsd_input.o : ../../Modules/ions_base.o
pw_init_qexsd_input.o : ../../Modules/kind.o
pw_init_qexsd_input.o : ../../Modules/parameters.o
pw_init_qexsd_input.o : ../../Modules/qes_module.o
pw_init_qexsd_input.o : ../../Modules/qes_libs.o
pw_init_qexsd_input.o : ../../Modules/qes_types.o
pw_init_qexsd_input.o : ../../Modules/qexsd.o
pw_init_qexsd_input.o : ../../Modules/qexsd_input.o
pw_init_qexsd_input.o : ../../Modules/uspp.o
@ -1574,7 +1574,6 @@ pw_restart_new.o : ../../Modules/mp_pools.o
pw_restart_new.o : ../../Modules/noncol.o
pw_restart_new.o : ../../Modules/paw_variables.o
pw_restart_new.o : ../../Modules/qes_libs.o
pw_restart_new.o : ../../Modules/qes_module.o
pw_restart_new.o : ../../Modules/qes_read_module.o
pw_restart_new.o : ../../Modules/qes_types.o
pw_restart_new.o : ../../Modules/qexsd.o

3
PW/src/pw_init_qexsd_input.f90
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@ -70,7 +70,8 @@
get_dft_is_nonlocc => dft_is_nonlocc, get_nonlocc_name, get_dft_short
USE uspp_param, ONLY: upf
USE control_flags, ONLY: cf_nstep => nstep
USE qes_module
USE qes_types_module
USE qes_libs_module
USE qexsd_module, ONLY: qexsd_init_atomic_species, qexsd_init_atomic_structure, qexsd_init_dft
USE qexsd_input
IMPLICIT NONE

7
PW/src/pw_restart_new.f90
View File

@ -16,7 +16,8 @@ MODULE pw_restart_new
! ... collected on / distributed to all other processors in pool
!
USE KINDS, ONLY: DP
USE qes_module
USE qes_types_module
USE qes_libs_module
USE qexsd_module, ONLY: qexsd_init_schema, qexsd_openschema, qexsd_closeschema, &
qexsd_init_convergence_info, qexsd_init_algorithmic_info, &
qexsd_init_atomic_species, qexsd_init_atomic_structure, &
@ -850,7 +851,7 @@ MODULE pw_restart_new
lef, lexx, lesm, lpbc, lvalid_input
!
LOGICAL :: need_qexml, found, electric_field_ispresent
INTEGER :: tmp, iotk_err
INTEGER :: tmp
!
!
@ -2150,7 +2151,7 @@ MODULE pw_restart_new
!------------------------------------------------------------------------
IMPLICIT NONE
!
INTEGER :: ierr, iotk_err
INTEGER :: ierr
TYPE( output_type ),OPTIONAL, INTENT(OUT) :: restart_output
TYPE(input_type),OPTIONAL, INTENT(OUT) :: restart_input
TYPE(parallel_info_type),OPTIONAL, INTENT(OUT) :: restart_parallel_info