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west-public
West
Commits
527560da
Commit
527560da
authored
Jul 11, 2017
by
Govoni
Browse files
dir and file moved to 512 length max. Centralized save dirs.
parent
3871b613
Changes
28
Hide whitespace changes
Inline
Side-by-side
DFPT_kernel/dfpt.f90
View file @
527560da
...
...
@@ -66,7 +66,7 @@ SUBROUTINE dfpt (m,dvg,dng,tr2)
LOGICAL
::
exst
,
exst_mem
LOGICAL
::
l_dost
!
CHARACTER
(
LEN
=
256
)
::
title
CHARACTER
(
LEN
=
512
)
::
title
!
CALL
mp_barrier
(
world_comm
)
!
...
...
IO_kernel/fetch_namelist.f90
View file @
527560da
...
...
@@ -21,7 +21,7 @@ SUBROUTINE fetch_namelist(num_namelists,driver)
USE
mp
,
ONLY
:
mp_bcast
USE
mp_world
,
ONLY
:
mpime
,
root
,
world_comm
USE
mp_global
,
ONLY
:
nimage
USE
io_push
,
ONLY
:
io_push_title
,
io_push_value
,
io_push_bar
,
io_push_es0
,
io_push_c
256
USE
io_push
,
ONLY
:
io_push_title
,
io_push_value
,
io_push_bar
,
io_push_es0
,
io_push_c
512
!
IMPLICIT
NONE
!
...
...
@@ -32,7 +32,7 @@ SUBROUTINE fetch_namelist(num_namelists,driver)
!
! Workspace
!
CHARACTER
(
LEN
=
256
),
EXTERNAL
::
trimcheck
CHARACTER
(
LEN
=
512
),
EXTERNAL
::
trimcheck
INTEGER
::
iunit
=
5
INTEGER
::
i
INTEGER
::
numsp
...
...
@@ -127,9 +127,9 @@ SUBROUTINE fetch_namelist(num_namelists,driver)
CALL
io_push_title
(
"I/O Summary : input_west"
)
!
numsp
=
14
CALL
io_push_c
256
(
'qe_prefix'
,
qe_prefix
,
numsp
)
CALL
io_push_c
256
(
'west_prefix'
,
qe_prefix
,
numsp
)
CALL
io_push_c
256
(
'outdir'
,
outdir
,
numsp
)
CALL
io_push_c
512
(
'qe_prefix'
,
qe_prefix
,
numsp
)
CALL
io_push_c
512
(
'west_prefix'
,
qe_prefix
,
numsp
)
CALL
io_push_c
512
(
'outdir'
,
outdir
,
numsp
)
!
CALL
io_push_bar
()
!
...
...
IO_kernel/mod_west_io.f90
View file @
527560da
...
...
@@ -1091,7 +1091,7 @@ MODULE west_io
REAL
(
DP
),
INTENT
(
IN
)
::
d2dummy
(
nrow
,
ncol
)
!
INTEGER
::
ierr
,
i
,
j
CHARACTER
(
LEN
=
12
8
)
::
format_string
CHARACTER
(
LEN
=
5
12
)
::
format_string
REAL
(
DP
)
::
help
(
ncol
)
!
IF
(
.NOT.
lproc
)
RETURN
...
...
IO_kernel/pdep_db.f90
View file @
527560da
...
...
@@ -48,7 +48,7 @@ MODULE pdep_db
!
IMPLICIT
NONE
!
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
CHARACTER
(
LEN
=
6
)
::
my_label
REAL
(
DP
),
EXTERNAL
::
GET_CLOCK
REAL
(
DP
)
::
time_spent
(
2
)
...
...
@@ -132,7 +132,7 @@ MODULE pdep_db
SUBROUTINE
pdep_db_read
(
nglob_to_be_read
)
!------------------------------------------------------------------------
!
USE
westcom
,
ONLY
:
n_pdep_eigen
,
ev
,
dvg
,
west_prefix
,
npwq0x
USE
westcom
,
ONLY
:
n_pdep_eigen
,
ev
,
dvg
,
west_prefix
,
npwq0x
,
wstat_save_dir
USE
io_global
,
ONLY
:
stdout
USE
mp
,
ONLY
:
mp_bcast
,
mp_barrier
USE
mp_world
,
ONLY
:
world_comm
,
mpime
,
root
...
...
@@ -146,7 +146,7 @@ MODULE pdep_db
!
INTEGER
,
INTENT
(
IN
)
::
nglob_to_be_read
!
CHARACTER
(
LEN
=
256
)
::
dirname
,
fname
CHARACTER
(
LEN
=
512
)
::
dirname
,
fname
CHARACTER
(
LEN
=
6
)
::
my_label
REAL
(
DP
),
EXTERNAL
::
GET_CLOCK
REAL
(
DP
)
::
time_spent
(
2
)
...
...
@@ -169,17 +169,13 @@ MODULE pdep_db
!
time_spent
(
1
)
=
get_clock
(
'pdep_db'
)
!
! ... the main db directory
!
dirname
=
TRIM
(
tmp_dir
)
//
TRIM
(
west_prefix
)
//
'.wstat.save'
!
! 1) READ THE INPUT FILE
!
!
IF
(
mpime
==
root
)
THEN
!
CALL
json
%
initialize
()
CALL
json
%
load_file
(
filename
=
TRIM
(
dirname
)
//
'/'
//
TRIM
(
'wstat-save.json'
)
)
CALL
json
%
load_file
(
filename
=
TRIM
(
wstat_save_dir
)
//
'/'
//
TRIM
(
'wstat-save.json'
)
)
!
CALL
json
%
get
(
'input.wstat_control.n_pdep_eigen'
,
tmp_n_pdep_eigen
,
found
)
CALL
json
%
get
(
'output.eigenval'
,
tmp_ev
,
found
)
...
...
IO_kernel/wfreq_io.f90
View file @
527560da
...
...
@@ -46,7 +46,7 @@ MODULE wfreq_io
USE
mp_images
,
ONLY
:
nimage
,
my_image_id
,
inter_image_comm
USE
mp
,
ONLY
:
mp_sum
USE
control_flags
,
ONLY
:
gamma_only
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
save_dir
USE
mod_mpiio
,
ONLY
:
mp_master_creates_and_preallocates
!
IMPLICIT
NONE
...
...
@@ -61,7 +61,7 @@ MODULE wfreq_io
INTEGER
::
ib
,
ii
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
INTEGER
::
nmode
!
IF
(
gamma_only
)
THEN
...
...
@@ -75,9 +75,9 @@ MODULE wfreq_io
!
WRITE
(
c_glob_ib
,
'(i5.5)'
)
ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/w_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/w_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_master_creates_and_preallocates
(
fname
,
n_lanczos
*
idistr
%
nglob
*
1
)
fname
=
TRIM
(
wfreq_
dirname
)//
"/w_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/w_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_master_creates_and_preallocates
(
fname
,
n_lanczos
*
idistr
%
nglob
*
idistr
%
nglob
*
nmode
)
!
ENDDO
...
...
@@ -93,7 +93,7 @@ MODULE wfreq_io
USE
mp_images
,
ONLY
:
nimage
,
my_image_id
,
inter_image_comm
USE
mp
,
ONLY
:
mp_sum
USE
control_flags
,
ONLY
:
gamma_only
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
save_dir
USE
mod_mpiio
,
ONLY
:
mp_master_creates_and_preallocates
!
IMPLICIT
NONE
...
...
@@ -108,7 +108,7 @@ MODULE wfreq_io
INTEGER
::
ib
,
ii
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
INTEGER
::
nmode
!
IF
(
gamma_only
)
THEN
...
...
@@ -122,9 +122,9 @@ MODULE wfreq_io
!
WRITE
(
c_glob_ib
,
'(i5.5)'
)
ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_master_creates_and_preallocates
(
fname
,
n_lanczos
*
idistr
%
nglob
*
1
)
! check nmode
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_master_creates_and_preallocates
(
fname
,
n_lanczos
*
idistr
%
nglob
*
idistr
%
nglob
*
nmode
)
!
ENDDO
...
...
@@ -140,7 +140,7 @@ MODULE wfreq_io
! WHAT? ... braket( ndim, n_lanczos )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
save_dir
USE
mp_global
,
ONLY
:
my_image_id
,
intra_bgrp_comm
,
me_bgrp
,
root_bgrp
USE
mp
,
ONLY
:
mp_bcast
USE
mod_mpiio
,
ONLY
:
mp_write_dmsg_at
...
...
@@ -159,17 +159,17 @@ MODULE wfreq_io
!
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/w_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/w_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_write_dmsg_at
(
fname
,
diago
,
n_lanczos
*
nloc
,
n_lanczos
*
myoffset
)
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/w_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/w_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_write_dmsg_at
(
fname
,
braket
,
nglob
*
n_lanczos
*
nloc
,
nglob
*
n_lanczos
*
myoffset
)
!
END
SUBROUTINE
...
...
@@ -183,7 +183,7 @@ MODULE wfreq_io
! WHAT? ... braket( ndim, n_lanczos )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
save_dir
USE
mp_global
,
ONLY
:
my_image_id
,
intra_bgrp_comm
,
me_bgrp
,
root_bgrp
USE
mp
,
ONLY
:
mp_bcast
USE
mod_mpiio
,
ONLY
:
mp_read_dmsg_at
...
...
@@ -202,17 +202,17 @@ MODULE wfreq_io
!
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/w_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/w_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_read_dmsg_at
(
fname
,
diago
,
n_lanczos
*
nloc
,
n_lanczos
*
myoffset
)
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/w_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/w_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_read_dmsg_at
(
fname
,
braket
,
nglob
*
n_lanczos
*
nloc
,
nglob
*
n_lanczos
*
myoffset
)
!
END
SUBROUTINE
...
...
@@ -226,7 +226,7 @@ MODULE wfreq_io
! WHAT? ... lambda( n_pdep_eigen_to_use, n_pdep_eigen_to_use )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
wfreq_
save_dir
USE
mp_global
,
ONLY
:
my_image_id
,
inter_image_comm
,
me_image
,
root_image
USE
mp
,
ONLY
:
mp_bcast
USE
iotk_module
...
...
@@ -243,11 +243,11 @@ MODULE wfreq_io
!
CHARACTER
(
LEN
=
6
)
::
c_glob_ifreq
INTEGER
::
iunout
,
ierr
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
!
WRITE
(
c_glob_ifreq
,
'(i6.6)'
)
glob_ifreq
fname
=
TRIM
(
wfreq_
dirname
)//
"/w_imF"
//
c_glob_ifreq
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/w_imF"
//
c_glob_ifreq
//
".dat"
!
IF
(
my_image_id
==
0
)
THEN
!
...
...
@@ -285,7 +285,7 @@ MODULE wfreq_io
! WHAT? ... lambda( n_pdep_eigen_to_use, n_pdep_eigen_to_use )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
wfreq_
save_dir
USE
mp_global
,
ONLY
:
my_image_id
,
inter_image_comm
USE
mp
,
ONLY
:
mp_bcast
USE
iotk_module
...
...
@@ -302,10 +302,10 @@ MODULE wfreq_io
!
CHARACTER
(
LEN
=
6
)
::
c_glob_ifreq
INTEGER
::
iunout
,
ierr
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
WRITE
(
c_glob_ifreq
,
'(i6.6)'
)
glob_ifreq
fname
=
TRIM
(
wfreq_
dirname
)//
"/w_imF"
//
c_glob_ifreq
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/w_imF"
//
c_glob_ifreq
//
".dat"
!
!
IF
(
my_image_id
==
0
)
THEN
...
...
@@ -347,7 +347,7 @@ MODULE wfreq_io
! WHAT? ... braket( ndim, n_lanczos )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
save_dir
USE
mp_global
,
ONLY
:
my_image_id
,
intra_bgrp_comm
,
me_bgrp
,
root_bgrp
USE
mp
,
ONLY
:
mp_bcast
USE
mod_mpiio
,
ONLY
:
mp_write_dmsg_at
...
...
@@ -366,17 +366,17 @@ MODULE wfreq_io
!
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_write_dmsg_at
(
fname
,
diago
,
n_lanczos
*
nloc
,
n_lanczos
*
myoffset
)
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_write_dmsg_at
(
fname
,
braket
,
nglob
*
n_lanczos
*
nloc
,
nglob
*
n_lanczos
*
myoffset
)
!
END
SUBROUTINE
...
...
@@ -390,7 +390,7 @@ MODULE wfreq_io
! WHAT? ... braket( ndim, n_lanczos )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
save_dir
USE
mp_global
,
ONLY
:
my_image_id
,
intra_bgrp_comm
,
me_bgrp
,
root_bgrp
USE
mp
,
ONLY
:
mp_bcast
USE
mod_mpiio
,
ONLY
:
mp_write_dmsg_at
,
mp_write_zmsg_at
...
...
@@ -409,17 +409,17 @@ MODULE wfreq_io
!
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_write_dmsg_at
(
fname
,
diago
,
n_lanczos
*
nloc
,
n_lanczos
*
myoffset
)
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_write_zmsg_at
(
fname
,
braket
,
nglob
*
n_lanczos
*
nloc
,
nglob
*
n_lanczos
*
myoffset
)
!
END
SUBROUTINE
...
...
@@ -433,7 +433,7 @@ MODULE wfreq_io
! WHAT? ... braket( ndim, n_lanczos )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
save_dir
USE
mp_global
,
ONLY
:
my_image_id
,
intra_bgrp_comm
,
me_bgrp
,
root_bgrp
USE
mp
,
ONLY
:
mp_bcast
USE
mod_mpiio
,
ONLY
:
mp_read_dmsg_at
...
...
@@ -452,17 +452,17 @@ MODULE wfreq_io
!
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_read_dmsg_at
(
fname
,
diago
,
n_lanczos
*
nloc
,
n_lanczos
*
myoffset
)
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_read_dmsg_at
(
fname
,
braket
,
nglob
*
n_lanczos
*
nloc
,
nglob
*
n_lanczos
*
myoffset
)
!
END
SUBROUTINE
...
...
@@ -476,7 +476,7 @@ MODULE wfreq_io
! WHAT? ... braket( ndim, n_lanczos )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
dirname
USE
westcom
,
ONLY
:
n_pdep_eigen_to_use
,
iks_l2g
,
n_lanczos
,
wfreq_
save_dir
USE
mp_global
,
ONLY
:
my_image_id
,
intra_bgrp_comm
,
me_bgrp
,
root_bgrp
USE
mp
,
ONLY
:
mp_bcast
USE
mod_mpiio
,
ONLY
:
mp_read_dmsg_at
,
mp_read_zmsg_at
...
...
@@ -495,17 +495,17 @@ MODULE wfreq_io
!
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_diag_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_read_dmsg_at
(
fname
,
diago
,
n_lanczos
*
nloc
,
n_lanczos
*
myoffset
)
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/g_brak_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
CALL
mp_read_zmsg_at
(
fname
,
braket
,
nglob
*
n_lanczos
*
nloc
,
nglob
*
n_lanczos
*
myoffset
)
!
END
SUBROUTINE
...
...
@@ -518,7 +518,7 @@ MODULE wfreq_io
! WHAT? ... overlap( no1, no2 )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
dirname
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
save_dir
USE
mp_world
,
ONLY
:
mpime
,
root
,
world_comm
USE
mp
,
ONLY
:
mp_bcast
USE
iotk_module
...
...
@@ -538,14 +538,14 @@ MODULE wfreq_io
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
INTEGER
::
iunout
,
ierr
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/over_"
//
labellina
//
"_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/over_"
//
labellina
//
"_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
!
IF
(
mpime
==
root
)
THEN
!
...
...
@@ -581,7 +581,7 @@ MODULE wfreq_io
! WHAT? ... overlap( no1, no2 )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
dirname
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
save_dir
USE
mp_world
,
ONLY
:
mpime
,
root
,
world_comm
USE
mp
,
ONLY
:
mp_bcast
USE
iotk_module
...
...
@@ -601,14 +601,14 @@ MODULE wfreq_io
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
INTEGER
::
iunout
,
ierr
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/over_"
//
labellina
//
"_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/over_"
//
labellina
//
"_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
!
IF
(
mpime
==
root
)
THEN
!
...
...
@@ -644,7 +644,7 @@ MODULE wfreq_io
! WHAT? ... overlap( no1, no2 )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
dirname
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
save_dir
USE
mp_world
,
ONLY
:
mpime
,
root
,
world_comm
USE
mp
,
ONLY
:
mp_bcast
USE
iotk_module
...
...
@@ -664,14 +664,14 @@ MODULE wfreq_io
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
INTEGER
::
iunout
,
ierr
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/over_"
//
labellina
//
"_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/over_"
//
labellina
//
"_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
!
IF
(
mpime
==
root
)
THEN
!
...
...
@@ -709,7 +709,7 @@ MODULE wfreq_io
! WHAT? ... overlap( no1, no2 )
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
dirname
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
save_dir
USE
mp_world
,
ONLY
:
mpime
,
root
,
world_comm
USE
mp
,
ONLY
:
mp_bcast
USE
iotk_module
...
...
@@ -729,14 +729,14 @@ MODULE wfreq_io
CHARACTER
(
LEN
=
5
)
::
c_glob_iks
CHARACTER
(
LEN
=
5
)
::
c_glob_ib
INTEGER
::
iunout
,
ierr
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
WRITE
(
c_glob_iks
,
'(i5.5)'
)
glob_iks
WRITE
(
c_glob_ib
,
'(i5.5)'
)
glob_ib
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/over_"
//
labellina
//
"_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/over_"
//
labellina
//
"_K"
//
c_glob_iks
//
"B"
//
c_glob_ib
//
".dat"
!
IF
(
mpime
==
root
)
THEN
!
...
...
@@ -774,7 +774,7 @@ MODULE wfreq_io
! WHAT? ... sigma_hf(nb, nk)
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
wfreq_
dirname
USE
westcom
,
ONLY
:
wfreq_
save_dir
USE
mp_world
,
ONLY
:
mpime
,
root
,
world_comm
USE
mp
,
ONLY
:
mp_bcast
USE
iotk_module
...
...
@@ -789,11 +789,11 @@ MODULE wfreq_io
! Workspace
!
INTEGER
::
iunout
,
ierr
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/hf.dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/hf.dat"
!
IF
(
mpime
==
root
)
THEN
!
...
...
@@ -829,7 +829,7 @@ MODULE wfreq_io
! WHAT? ... sigma_hf(nb, nk)
!
USE
kinds
,
ONLY
:
DP
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
dirname
USE
westcom
,
ONLY
:
iks_l2g
,
wfreq_
save_dir
USE
mp_world
,
ONLY
:
mpime
,
root
,
world_comm
USE
mp
,
ONLY
:
mp_bcast
USE
iotk_module
...
...
@@ -844,11 +844,11 @@ MODULE wfreq_io
! Workspace
!
INTEGER
::
iunout
,
ierr
CHARACTER
(
LEN
=
256
)
::
fname
CHARACTER
(
LEN
=
512
)
::
fname
!
! Generate the filename
!
fname
=
TRIM
(
wfreq_
dirname
)//
"/hf.dat"
fname
=
TRIM
(
wfreq_
save_dir
)//
"/hf.dat"
!
IF
(
mpime
==
root
)
THEN
!
...
...
IO_kernel/wfreq_restart.f90
View file @
527560da
...
...
@@ -60,7 +60,7 @@ MODULE wfreq_restart
! I/O
!
TYPE
(
bks_type
),
INTENT
(
IN
)
::
bks
CHARACTER
(
LEN
=
256
),
INTENT
(
IN
)
::
dirname
,
fname
CHARACTER
(
LEN
=
512
),
INTENT
(
IN
)
::
dirname
,
fname
INTEGER
::
iunout
!
! Workspace
...
...
@@ -116,7 +116,7 @@ MODULE wfreq_restart
! I/O
!
TYPE
(
bks_type
),
INTENT
(
OUT
)
::
bks
CHARACTER
(
LEN
=
256
),
INTENT
(
IN
)
::
dirname
,
fname
CHARACTER
(
LEN
=
512
),
INTENT
(
IN
)
::
dirname
,
fname
INTEGER
::
iunout
!
! Workspace
...
...
@@ -178,7 +178,7 @@ MODULE wfreq_restart
!
! I/O
!
CHARACTER
(
LEN
=
256
),
INTENT
(
IN
)
::
dirname
,
fname
CHARACTER
(
LEN
=
512
),
INTENT
(
IN
)
::
dirname
,
fname
!
! Workspace
!
...
...
@@ -222,7 +222,7 @@ MODULE wfreq_restart
! Workspace
!
INTEGER
::
ierr
CHARACTER
(
LEN
=
256
)
::
dirname
,
fname
CHARACTER
(
LEN
=
512
)
::
dirname
,
fname
CHARACTER
(
29
)
::
my_label
CHARACTER
(
33
)
::
my_label2
INTEGER
::
local_j
,
global_j
...
...
@@ -327,7 +327,7 @@ MODULE wfreq_restart
! Workspace
!
INTEGER
::
ierr
CHARACTER
(
LEN
=
256
)
::
dirname
,
fname
CHARACTER
(
LEN
=
512
)
::
dirname
,
fname
CHARACTER
(
29
)
::
my_label
CHARACTER
(
33
)
::
my_label2
INTEGER
::
local_j
,
global_j
...
...
@@ -434,7 +434,7 @@ MODULE wfreq_restart
! Workspace
!
INTEGER
::
ierr
CHARACTER
(
LEN
=
256
)
::
dirname
,
fname
CHARACTER
(
LEN
=
512
)
::
dirname
,
fname
REAL
(
DP
),
EXTERNAL
::
GET_CLOCK
REAL
(
DP
)
::
time_spent
(
2
)
CHARACTER
(
20
),
EXTERNAL
::
human_readable_time
...
...
@@ -532,7 +532,7 @@ MODULE wfreq_restart
! Workspace
!
INTEGER
::
ierr
CHARACTER
(
LEN
=
256
)
::
dirname
,
fname
CHARACTER
(
LEN
=
512
)
::
dirname
,
fname
REAL
(
DP
),
EXTERNAL
::
GET_CLOCK
REAL
(
DP
)
::
time_spent
(
2
)
CHARACTER
(
20
),
EXTERNAL
::
human_readable_time
...
...
@@ -629,7 +629,7 @@ MODULE wfreq_restart
! Workspace
!
INTEGER
::
ierr
CHARACTER
(
LEN
=
256
)
::
dirname
,
fname
CHARACTER
(
LEN
=
512
)
::
dirname
,
fname
REAL
(
DP
),
EXTERNAL
::
GET_CLOCK
REAL
(
DP
)
::
time_spent
(
2
)
CHARACTER
(
20
),
EXTERNAL
::
human_readable_time
...
...
@@ -673,7 +673,7 @@ MODULE wfreq_restart
! Workspace
!