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change do_environ by use_environ 

added USE stat. for plugin_flags
added call stat for plugin_arguments
and plugin_arguments_bcast in lr_readin



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10971 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
marsamos 2014-05-16 10:02:36 +00:00
parent 429d3bf71d
commit 8b66b68deb
7 changed files with 31 additions and 28 deletions
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5
TDDFPT/src/bcast_lr_input.f90
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@ -27,7 +27,7 @@ SUBROUTINE bcast_lr_input
USE mp_world, ONLY: world_comm
USE exx, ONLY: ecutfock
#ifdef __ENVIRON
USE input_parameters, ONLY: do_environ
USE plugin_flags, ONLY: use_environ
USE environ_input, ONLY: environ_bcast
#endif
@ -67,8 +67,7 @@ SUBROUTINE bcast_lr_input
CALL mp_bcast (d0psi_rs, ionode_id,world_comm )
CALL mp_bcast (tddfpt, ionode_id, world_comm )
#ifdef __ENVIRON
CALL mp_bcast (do_environ, ionode_id, world_comm )
IF (do_environ) CALL environ_bcast()
IF (use_environ) CALL environ_bcast()
#endif
! for lr_dav

4
TDDFPT/src/lr_apply_liouvillian.f90
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@ -52,7 +52,7 @@ SUBROUTINE lr_apply_liouvillian( evc1, evc1_new, sevc1_new, interaction )
USE mp_global, ONLY : intra_bgrp_comm
use lr_exx_kernel
#ifdef __ENVIRON
USE environ_base, ONLY : do_environ
USE plugin_flags, ONLY : use_environ
USE scf, ONLY : rho
USE solvent_tddfpt, ONLY : calc_vsolvent_tddfpt
#endif
@ -163,7 +163,7 @@ SUBROUTINE lr_apply_liouvillian( evc1, evc1_new, sevc1_new, interaction )
!
#ifdef __ENVIRON
!
IF ( do_environ ) THEN
IF ( use_environ ) THEN
!
ALLOCATE( dv_pol(dfftp%nnr) )
ALLOCATE( dv_epsilon(dfftp%nnr) )

4
TDDFPT/src/lr_main.f90
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@ -47,7 +47,7 @@ PROGRAM lr_main
USE funct, ONLY : dft_is_hybrid
USE fft_base, ONLY : dffts
#ifdef __ENVIRON
USE environ_base, ONLY : do_environ
USE plugin_flags, ONLY : use_environ
USE environ_info, ONLY : environ_summary
#endif
@ -90,7 +90,7 @@ PROGRAM lr_main
! about Environ variables
!
#ifdef __ENVIRON
IF ( do_environ ) CALL environ_summary()
IF ( use_environ ) CALL environ_summary()
#endif
!
CALL check_stop_init()

29
TDDFPT/src/lr_readin.f90
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@ -52,7 +52,7 @@ SUBROUTINE lr_readin
USE vlocal, ONLY : strf
USE exx, ONLY : ecutfock
#ifdef __ENVIRON
USE input_parameters, ONLY : do_environ, assume_isolated
USE input_parameters, ONLY : assume_isolated
USE environ_base, ONLY : environ_base_init, ir_end
USE environ_input, ONLY : read_environ
USE environ_base, ONLY : ifdtype, nfdpoint
@ -64,9 +64,9 @@ SUBROUTINE lr_readin
environ_initions_allocate
USE environ_main, ONLY : calc_venviron
USE mp_bands, ONLY : me_bgrp
USE plugin_flags, ONLY : use_environ
#endif
IMPLICIT NONE
!
CHARACTER(LEN=256), EXTERNAL :: trimcheck
@ -81,9 +81,6 @@ SUBROUTINE lr_readin
!
NAMELIST / lr_input / restart, restart_step ,lr_verbosity, prefix, outdir, test_case_no, wfcdir, disk_io, max_seconds
NAMELIST / lr_control / itermax, ipol, ltammd, real_space, real_space_debug, charge_response, tqr, auto_rs, no_hxc, n_ipol, &
#ifdef __ENVIRON
do_environ, &
#endif
& project, scissor, ecutfock, pseudo_hermitian,d0psi_rs
NAMELIST / lr_post / omeg, beta_gamma_z_prefix, w_T_npol, plot_type, epsil, itermax_int
namelist / lr_dav / num_eign, num_init, num_basis_max, residue_conv_thr, precondition,dav_debug, reference,single_pole,&
@ -128,9 +125,6 @@ SUBROUTINE lr_readin
eig_dir='./'
scissor = 0.d0
ecutfock = -1d0
#ifdef __ENVIRON
do_environ = .false.
#endif
! For lr_dav
num_eign=1
@ -159,7 +153,14 @@ SUBROUTINE lr_readin
max_iter=100
conv_assistant=.false.
if_dft_spectrum=.false.
!
! ------------------------------------------------------
! Reading possible plugin arguments -environ -plumed ...
! ------------------------------------------------------
IF(ionode) CALL plugin_arguments()
CALL plugin_arguments_bcast(ionode_id, intra_image_comm)
! ------------------------------------------------------
!
! Reading the namelist lr_input
CALL input_from_file( )
!
@ -259,19 +260,19 @@ SUBROUTINE lr_readin
!
#ifdef __ENVIRON
!
IF ( do_environ ) THEN
IF ( use_environ ) THEN
!
!!!!!!!!!!!!!!!!!!!!!!!!!!! Initialisation !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
! Copied from PW/src/input.f90
! Note: in the routine "environ_base_init" the variable do_environ (from
! environ_base) is defined according to do_environ (from input_parameters).
! In the Environ code the variable do_environ (from environ_base) is used.
! Note: in the routine "environ_base_init" the variable use_environ (from
! environ_base) is defined according to use_environ (from input_parameters).
! In the Environ code the variable use_environ (from environ_base) is used.
!
! Warning: There is something strange with the variable 'assume_isolated'!
! It is not used currently.
!
CALL read_environ( do_environ, nat, nsp, assume_isolated, ibrav )
CALL read_environ( use_environ, nat, nsp, assume_isolated, ibrav )
!
! Taken from PW/src/init_run.f90
!

9
TDDFPT/src/make.depend
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@ -1,11 +1,10 @@
bcast_lr_input.o : ../../Modules/control_flags.o
bcast_lr_input.o : ../../Modules/environ_input.o
bcast_lr_input.o : ../../Modules/input_parameters.o
bcast_lr_input.o : ../../Modules/io_files.o
bcast_lr_input.o : ../../Modules/io_global.o
bcast_lr_input.o : ../../Modules/mp.o
bcast_lr_input.o : ../../Modules/mp_global.o
bcast_lr_input.o : ../../Modules/mp_world.o
bcast_lr_input.o : ../../Modules/plugin_flags.o
bcast_lr_input.o : ../../PW/src/exx.o
bcast_lr_input.o : ../../PW/src/realus.o
bcast_lr_input.o : lr_charg_resp.o
@ -33,6 +32,7 @@ lr_apply_liouvillian.o : ../../Modules/ions_base.o
lr_apply_liouvillian.o : ../../Modules/kind.o
lr_apply_liouvillian.o : ../../Modules/mp.o
lr_apply_liouvillian.o : ../../Modules/mp_global.o
lr_apply_liouvillian.o : ../../Modules/plugin_flags.o
lr_apply_liouvillian.o : ../../Modules/recvec.o
lr_apply_liouvillian.o : ../../Modules/uspp.o
lr_apply_liouvillian.o : ../../Modules/wavefunctions.o
@ -233,6 +233,7 @@ lr_main.o : ../../Modules/kind.o
lr_main.o : ../../Modules/mp.o
lr_main.o : ../../Modules/mp_global.o
lr_main.o : ../../Modules/mp_world.o
lr_main.o : ../../Modules/plugin_flags.o
lr_main.o : ../../Modules/uspp.o
lr_main.o : ../../Modules/version.o
lr_main.o : ../../Modules/wavefunctions.o
@ -288,7 +289,6 @@ lr_read_wf.o : lr_exx_kernel.o
lr_read_wf.o : lr_variables.o
lr_readin.o : ../../Modules/cell_base.o
lr_readin.o : ../../Modules/control_flags.o
lr_readin.o : ../../Modules/environ_input.o
lr_readin.o : ../../Modules/fft_base.o
lr_readin.o : ../../Modules/funct.o
lr_readin.o : ../../Modules/input_parameters.o
@ -302,6 +302,7 @@ lr_readin.o : ../../Modules/mp_global.o
lr_readin.o : ../../Modules/mp_images.o
lr_readin.o : ../../Modules/mp_world.o
lr_readin.o : ../../Modules/paw_variables.o
lr_readin.o : ../../Modules/plugin_flags.o
lr_readin.o : ../../Modules/recvec.o
lr_readin.o : ../../Modules/uspp.o
lr_readin.o : ../../PW/src/exx.o
@ -384,6 +385,7 @@ lr_write_restart.o : lr_charg_resp.o
lr_write_restart.o : lr_variables.o
print_clock_lr.o : ../../Modules/io_global.o
print_clock_lr.o : ../../Modules/mp_world.o
print_clock_lr.o : ../../Modules/plugin_flags.o
print_clock_lr.o : ../../PW/src/realus.o
print_clock_lr.o : lr_variables.o
sd0psi.o : ../../Modules/becmod.o
@ -401,4 +403,5 @@ stop_lr.o : ../../Modules/ions_base.o
stop_lr.o : ../../Modules/kind.o
stop_lr.o : ../../Modules/mp_global.o
stop_lr.o : ../../Modules/parallel_include.o
stop_lr.o : ../../Modules/plugin_flags.o
stop_lr.o : lr_variables.o

4
TDDFPT/src/print_clock_lr.f90
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@ -21,7 +21,7 @@ SUBROUTINE print_clock_lr()
USE realus, ONLY : real_space,real_space_debug
use lr_variables, only : davidson
#ifdef __ENVIRON
USE environ_base, ONLY : do_environ
USE plugin_flags, ONLY : use_environ
USE environ_info, ONLY : environ_clock
#endif
!
@ -130,7 +130,7 @@ SUBROUTINE print_clock_lr()
#endif
!
#ifdef __ENVIRON
IF ( do_environ ) CALL environ_clock( stdout )
IF ( use_environ ) CALL environ_clock( stdout )
#endif
!
WRITE( stdout, '(5X,"EXX routines")' )

4
TDDFPT/src/stop_lr.f90
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@ -28,7 +28,7 @@ SUBROUTINE stop_lr( full_run )
USE ions_base, ONLY : nat, ityp, atm, ntyp => nsp, tau
USE cell_base, ONLY : celldm, at, bg
#ifdef __ENVIRON
USE environ_base, ONLY : do_environ
USE plugin_flags, ONLY : use_environ
USE solvent_tddfpt, ONLY : solvent_clean_tddfpt
#endif
!
@ -99,7 +99,7 @@ SUBROUTINE stop_lr( full_run )
!
! Deallocate Environ related arrays
!
IF (do_environ) CALL solvent_clean_tddfpt()
IF (use_environ) CALL solvent_clean_tddfpt()
!
#endif
!