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io part of parallelization on images moved to image_io_routines. First step 

for NEB cleaning.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6974 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
marsamos 2010-08-17 15:39:53 +00:00
parent 22842ec988
commit c673310ef8
13 changed files with 109 additions and 65 deletions
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7
CPV/main_loops.f90
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@ -17,13 +17,14 @@ SUBROUTINE neb_loop( )
!
USE path_base, ONLY : initialize_path, search_mep
USE path_routines, ONLY : iosys_path
USE path_io_routines, ONLY : io_path_start, io_path_stop, path_summary
USE path_io_routines, ONLY : path_summary
USE image_io_routines, ONLY : io_image_start, io_image_stop
!
IMPLICIT NONE
!
CALL iosys_path()
!
CALL io_path_start()
CALL io_image_start()
!
CALL initialize_path()
!
@ -31,7 +32,7 @@ SUBROUTINE neb_loop( )
!
CALL search_mep()
!
CALL io_path_stop()
CALL io_image_stop()
!
RETURN
!

3
CPV/make.depend
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@ -553,6 +553,7 @@ ksstates.o : ../Modules/mp_global.o
ksstates.o : ../Modules/recvec.o
ksstates.o : ../Modules/xml_io_base.o
ksstates.o : cp_interfaces.o
main_loops.o : ../Modules/image_io_routines.o
main_loops.o : ../Modules/ions_base.o
main_loops.o : ../Modules/kind.o
main_loops.o : ../Modules/path_base.o
@ -864,11 +865,11 @@ spline.o : ../Modules/kind.o
stop_run.o : ../Modules/constraints_module.o
stop_run.o : ../Modules/control_flags.o
stop_run.o : ../Modules/environment.o
stop_run.o : ../Modules/image_io_routines.o
stop_run.o : ../Modules/io_files.o
stop_run.o : ../Modules/io_global.o
stop_run.o : ../Modules/metadyn_vars.o
stop_run.o : ../Modules/mp_global.o
stop_run.o : ../Modules/path_io_routines.o
stop_run.o : ../Modules/path_variables.o
stop_run.o : ../Modules/recvec.o
stress.o : ../Modules/cell_base.o

4
CPV/stop_run.f90
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@ -18,7 +18,7 @@ SUBROUTINE stop_run( flag )
USE io_files, ONLY : prefix
USE environment, ONLY : environment_end
USE path_variables, ONLY : path_deallocation
USE path_io_routines, ONLY : io_path_stop
USE image_io_routines, ONLY : io_image_stop
USE constraints_module, ONLY : deallocate_constraint
USE metadyn_vars, ONLY : deallocate_metadyn_vars
USE mp_global, ONLY : mp_global_end
@ -32,7 +32,7 @@ SUBROUTINE stop_run( flag )
!
CALL environment_end( program_name )
!
IF ( lpath ) CALL io_path_stop()
IF ( lpath ) CALL io_image_stop()
!
CALL deallocate_modules_var()
!

1
Modules/Makefile
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@ -30,6 +30,7 @@ fft_scalar.o \
fft_types.o \
funct.o \
griddim.o \
image_io_routines.o \
input_parameters.o \
io_files.o \
io_global.o \

80
Modules/image_io_routines.f90 Normal file
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@ -0,0 +1,80 @@
!
! Copyright (C) 2002-2006 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 image_io_routines
!----------------------------------------------------------------------------
!
! ... This module contains all subroutines used for I/O in image
! ... parallelization
!
! ... from the orignal path_io Written by Carlo Sbraccia ( 2003-2006 )
!
USE kinds, ONLY : DP
USE io_global, ONLY : meta_ionode, meta_ionode_id
USE mp, ONLY : mp_bcast
!
IMPLICIT NONE
!
PRIVATE
!
PUBLIC :: io_image_start, io_image_stop
!
CONTAINS
!
!-----------------------------------------------------------------------
SUBROUTINE io_image_start()
!-----------------------------------------------------------------------
!
USE io_global, ONLY : stdout
USE io_global, ONLY : ionode, ionode_id
USE mp_global, ONLY : me_image, root_image
!
IMPLICIT NONE
!
!
! ... the I/O node is set again according to the number of parallel
! ... images that have been required: for each parallel image there
! ... is only one node that does I/O
!
ionode = ( me_image == root_image )
ionode_id = root_image
!
! ... stdout is connected to a file ( different for each image )
! ... via unit 117 ( only root_image performs I/O )
!
IF ( ionode ) stdout = 117
!
RETURN
!
END SUBROUTINE io_image_start
!
!
!-----------------------------------------------------------------------
SUBROUTINE io_image_stop()
!-----------------------------------------------------------------------
!
USE io_global, ONLY : stdout, io_global_start
USE mp_global, ONLY : mpime, root
!
IMPLICIT NONE
!
!
! ... the original I/O node is set again
!
CALL io_global_start( mpime, root )
!
! ... stdout is reconnected to standard output unit
!
stdout = 6
!
RETURN
!
END SUBROUTINE io_image_stop
!
END MODULE image_io_routines

5
Modules/make.depend
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@ -78,6 +78,10 @@ griddim.o : io_global.o
griddim.o : kind.o
griddim.o : mp.o
griddim.o : mp_global.o
image_io_routines.o : io_global.o
image_io_routines.o : kind.o
image_io_routines.o : mp.o
image_io_routines.o : mp_global.o
input_parameters.o : kind.o
input_parameters.o : parameters.o
input_parameters.o : wannier_new.o
@ -270,6 +274,7 @@ wave_base.o : mp.o
wave_base.o : mp_global.o
wave_base.o : random_numbers.o
wavefunctions.o : kind.o
wrappers.o : io_global.o
wrappers.o : kind.o
write_upf_v2.o : ../iotk/src/iotk_module.o
write_upf_v2.o : kind.o

51
Modules/path_io_routines.f90
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@ -26,63 +26,12 @@ MODULE path_io_routines
!
PRIVATE
!
PUBLIC :: io_path_start, io_path_stop
PUBLIC :: path_summary
PUBLIC :: read_restart
PUBLIC :: write_restart, write_dat_files, write_output
PUBLIC :: new_image_init, get_new_image, stop_other_images
!
CONTAINS
!
!-----------------------------------------------------------------------
SUBROUTINE io_path_start()
!-----------------------------------------------------------------------
!
USE io_global, ONLY : stdout
USE io_global, ONLY : ionode, ionode_id
USE mp_global, ONLY : me_image, root_image
!
IMPLICIT NONE
!
!
! ... the I/O node is set again according to the number of parallel
! ... images that have been required: for each parallel image there
! ... is only one node that does I/O
!
ionode = ( me_image == root_image )
ionode_id = root_image
!
! ... stdout is connected to a file ( different for each image )
! ... via unit 117 ( only root_image performs I/O )
!
IF ( ionode ) stdout = 117
!
RETURN
!
END SUBROUTINE io_path_start
!
!
!-----------------------------------------------------------------------
SUBROUTINE io_path_stop()
!-----------------------------------------------------------------------
!
USE io_global, ONLY : stdout, io_global_start
USE mp_global, ONLY : mpime, root
!
IMPLICIT NONE
!
!
! ... the original I/O node is set again
!
CALL io_global_start( mpime, root )
!
! ... stdout is reconnected to standard output unit
!
stdout = 6
!
RETURN
!
END SUBROUTINE io_path_stop
!
!-----------------------------------------------------------------------
SUBROUTINE path_summary()

2
PH/make.depend
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@ -694,9 +694,9 @@ phescf.o : phcom.o
phescf.o : ramanm.o
phonon.o : ../Modules/check_stop.o
phonon.o : ../Modules/environment.o
phonon.o : ../Modules/image_io_routines.o
phonon.o : ../Modules/io_global.o
phonon.o : ../Modules/mp_global.o
phonon.o : ../Modules/path_io_routines.o
phonon.o : ph_restart.o
phonon.o : phcom.o
phonon.o : save_ph_input.o

4
PH/phonon.f90
View File

@ -47,7 +47,7 @@ PROGRAM phonon
USE ph_restart, ONLY : ph_writefile, destroy_status_run
USE save_ph, ONLY : clean_input_variables
USE mp_global, ONLY: mp_startup, nimage
USE path_io_routines, ONLY : io_path_start
USE image_io_routines, ONLY : io_image_start
USE environment, ONLY: environment_start
!
@ -62,7 +62,7 @@ PROGRAM phonon
!
#ifdef __PARA
CALL mp_startup ( )
IF (nimage>1) CALL io_path_start()
IF (nimage>1) CALL io_image_start()
#endif
CALL environment_start ( code )
!

5
PW/make.depend
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@ -564,6 +564,7 @@ gen_us_dy.o : ../Modules/kind.o
gen_us_dy.o : ../Modules/splinelib.o
gen_us_dy.o : ../Modules/uspp.o
gen_us_dy.o : pwcom.o
gen_us_test.o : ../Modules/kind.o
gen_us_vkb0.o : ../Modules/cell_base.o
gen_us_vkb0.o : ../Modules/constants.o
gen_us_vkb0.o : ../Modules/io_global.o
@ -1029,6 +1030,7 @@ pwcom.o : ../Modules/recvec.o
pwscf.o : ../Modules/check_stop.o
pwscf.o : ../Modules/control_flags.o
pwscf.o : ../Modules/environment.o
pwscf.o : ../Modules/image_io_routines.o
pwscf.o : ../Modules/io_global.o
pwscf.o : ../Modules/mp_global.o
pwscf.o : ../Modules/parameters.o
@ -1092,6 +1094,7 @@ read_pseudo.o : ../Modules/read_uspp.o
read_pseudo.o : ../Modules/upf.o
read_pseudo.o : ../Modules/upf_to_internal.o
read_pseudo.o : ../Modules/uspp.o
read_pseudo.o : ../Modules/wrappers.o
realus.o : ../Modules/atom.o
realus.o : ../Modules/cell_base.o
realus.o : ../Modules/constants.o
@ -1297,13 +1300,13 @@ spinor.o : ../Modules/kind.o
stop_run.o : ../Modules/constraints_module.o
stop_run.o : ../Modules/control_flags.o
stop_run.o : ../Modules/environment.o
stop_run.o : ../Modules/image_io_routines.o
stop_run.o : ../Modules/input_parameters.o
stop_run.o : ../Modules/io_files.o
stop_run.o : ../Modules/io_global.o
stop_run.o : ../Modules/metadyn_vars.o
stop_run.o : ../Modules/mm_dispersion.o
stop_run.o : ../Modules/mp_global.o
stop_run.o : ../Modules/path_io_routines.o
stop_run.o : ../Modules/path_variables.o
stop_run.o : buffers.o
stop_run.o : pwcom.o

5
PW/pwscf.f90
View File

@ -18,7 +18,8 @@ PROGRAM pwscf
USE path_variables, ONLY : conv_path
USE check_stop, ONLY : check_stop_init
USE path_base, ONLY : initialize_path, search_mep
USE path_io_routines, ONLY : io_path_start, path_summary
USE path_io_routines, ONLY : path_summary
USE image_io_routines, ONLY : io_image_start
USE mp_global, ONLY : mp_startup
#if defined(__MS2)
USE ms2, ONLY : MS2_enabled, &
@ -58,7 +59,7 @@ PROGRAM pwscf
!
IF ( lpath ) THEN
!
CALL io_path_start()
CALL io_image_start()
!
CALL initialize_path()
!

4
PW/stop_run.f90
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@ -22,7 +22,7 @@ SUBROUTINE stop_run( flag )
iunefieldp, iuntmp
USE buffers, ONLY : close_buffer
USE path_variables, ONLY : path_deallocation
USE path_io_routines, ONLY : io_path_stop
USE image_io_routines, ONLY : io_image_stop
USE london_module, ONLY : dealloca_london
USE constraints_module, ONLY : deallocate_constraint
USE metadyn_vars, ONLY : deallocate_metadyn_vars
@ -42,7 +42,7 @@ SUBROUTINE stop_run( flag )
#endif
IF ( flag2 ) THEN
!
CALL io_path_stop()
CALL io_image_stop()
!
ELSE
!

3
clib/make.depend
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@ -6,5 +6,8 @@ fft_stick.o : fftw.c
fftw.o :
fftw.o :
indici.o : ../include/c_defs.h
md5.o :
md5_from_file.o : ../include/c_defs.h
md5_from_file.o :
memstat.o : ../include/c_defs.h
stack.o : ../include/c_defs.h