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west-public
West
Commits
73ccb78b
Commit
73ccb78b
authored
May 21, 2017
by
Marco Govoni
Browse files
Added memory to logfile.
parent
9c147160
Changes
3
Hide whitespace changes
Inline
Side-by-side
Tools/do_setup.f90
View file @
73ccb78b
...
...
@@ -115,7 +115,8 @@ SUBROUTINE do_setup
CALL
io_push_value
(
'ecutrho [Ry]'
,
ecutrho
,
20
)
IF
(
mpime
==
root
)
CALL
json
%
add
(
'system.basis.ecutrho:ry'
,
ecutrho
)
CALL
io_push_es0
(
'omega [au^3]'
,
omega
,
20
)
IF
(
mpime
==
root
)
CALL
json
%
add
(
'system.cell.omega:au'
,
omega
)
IF
(
mpime
==
root
)
CALL
json
%
add
(
'system.cell.units'
,
'a.u.'
)
IF
(
mpime
==
root
)
CALL
json
%
add
(
'system.cell.omega'
,
omega
)
! IF ( gamma_only ) THEN
! auxi = npw
! CALL mp_sum(auxi,intra_bgrp_comm)
...
...
@@ -178,10 +179,10 @@ SUBROUTINE do_setup
IF
(
mpime
==
root
)
THEN
CALL
json
%
add
(
'system.basis.sFFT'
,(/
dffts
%
nr1
,
dffts
%
nr2
,
dffts
%
nr3
/)
)
CALL
json
%
add
(
'system.basis.pFFT'
,(/
dfftp
%
nr1
,
dfftp
%
nr2
,
dfftp
%
nr3
/)
)
CALL
json
%
add
(
'system.cell.a1
:au
'
,
alat
*
at
(
1
:
3
,
1
))
CALL
json
%
add
(
'system.cell.a2
:au
'
,
alat
*
at
(
1
:
3
,
2
))
CALL
json
%
add
(
'system.cell.a3
:au
'
,
alat
*
at
(
1
:
3
,
3
))
CALL
json
%
add
(
'system.cell.alat
:au
'
,
alat
)
CALL
json
%
add
(
'system.cell.a1'
,
alat
*
at
(
1
:
3
,
1
))
CALL
json
%
add
(
'system.cell.a2'
,
alat
*
at
(
1
:
3
,
2
))
CALL
json
%
add
(
'system.cell.a3'
,
alat
*
at
(
1
:
3
,
3
))
CALL
json
%
add
(
'system.cell.alat'
,
alat
)
ENDIF
!
WRITE
(
stdout
,
'(5x,"number of ks points=",i6)'
)
nkstot
...
...
Tools/west_print_clocks.f90
View file @
73ccb78b
...
...
@@ -33,6 +33,7 @@ SUBROUTINE west_print_clocks( )
IF
(
mpime
==
root
)
THEN
CALL
json
%
initialize
()
CALL
json
%
load_file
(
filename
=
TRIM
(
logfile
))
CALL
json
%
add
(
'timing.unit'
,
's'
)
ENDIF
!
DO
n
=
1
,
nclock
...
...
Wstat/wstat_memory_report.f90
View file @
73ccb78b
...
...
@@ -24,12 +24,16 @@ SUBROUTINE wstat_memory_report()
USE
uspp
,
ONLY
:
nkb
USE
control_flags
,
ONLY
:
isolve
,
nmix
,
gamma_only
,
lscf
USE
mp_global
,
ONLY
:
np_ortho
USE
westcom
,
ONLY
:
nbnd_occ
,
n_pdep_basis
,
npwq0x
USE
mp_world
,
ONLY
:
mpime
,
root
USE
westcom
,
ONLY
:
nbnd_occ
,
n_pdep_basis
,
npwq0x
,
logfile
USE
distribution_center
,
ONLY
:
pert
USE
noncollin_module
,
ONLY
:
noncolin
,
npol
USE
json_module
,
ONLY
:
json_file
!
IMPLICIT
NONE
!
TYPE
(
json_file
)
::
json
INTEGER
::
iunit
INTEGER
,
PARAMETER
::
Mb
=
1024
*
1024
,
complex_size
=
16
,
real_size
=
8
REAL
(
DP
)
::
mem_tot
,
mem_partial
!
...
...
@@ -37,6 +41,14 @@ SUBROUTINE wstat_memory_report()
WRITE
(
stdout
,
'(5x,"[MEM] **Memory** analysis: QE")'
)
WRITE
(
stdout
,
'(5x,"[MEM] ----------------------------------------------------------")'
)
!
IF
(
mpime
==
root
)
THEN
!
CALL
json
%
initialize
()
CALL
json
%
load_file
(
filename
=
TRIM
(
logfile
))
CALL
json
%
add
(
'memory.units'
,
'Mb'
)
!
ENDIF
!
! the conversions to double prevent integer overflow in very large run
!
mem_tot
=
0._DP
...
...
@@ -46,26 +58,31 @@ SUBROUTINE wstat_memory_report()
mem_partial
=
DBLE
(
complex_size
*
nbnd
*
npwx
)/
DBLE
(
Mb
)
WRITE
(
stdout
,
'(5x,"[MEM] Kohn-Sham Wavefunctions ",f10.2," Mb", 5x,"(",i7,",",i5,")")'
)
&
mem_partial
,
npwx
,
nbnd
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.evc'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
!
mem_partial
=
DBLE
(
complex_size
*
nkb
*
npwx
)/
DBLE
(
Mb
)
WRITE
(
stdout
,
'(5x,"[MEM] NL pseudopotentials ",f10.2," Mb", 5x,"(",i7,",",i5,")")'
)
&
mem_partial
,
npwx
,
nkb
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.nlpp'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
!
mem_partial
=
DBLE
(
complex_size
*
dfftp
%
nnr
)/
DBLE
(
Mb
)
WRITE
(
stdout
,
'(5x,"[MEM] Each V/rho on FFT grid ",f10.2," Mb", 5x,"(",i7,")")'
)
&
mem_partial
,
dfftp
%
nnr
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.rhor'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
!
mem_partial
=
DBLE
(
real_size
*
ngms
)/
DBLE
(
Mb
)
WRITE
(
stdout
,
'(5x,"[MEM] Each G-vector array ",f10.2," Mb", 5x,"(",i7,")")'
)
&
mem_partial
,
ngms
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.rhog'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
!
mem_partial
=
DBLE
(
real_size
*
ngl
)/
DBLE
(
Mb
)
WRITE
(
stdout
,
'(5x,"[MEM] G-vector shells ",f10.2," Mb", 5x,"(",i7,")")'
)
&
mem_partial
,
ngl
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.gshells'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
WRITE
(
stdout
,
'(5x,"[MEM] ----------------------------------------------------------")'
)
WRITE
(
stdout
,
'(5x,"[MEM] TOT ",f10.2," Mb", 5x)'
)
mem_tot
...
...
@@ -84,11 +101,13 @@ SUBROUTINE wstat_memory_report()
mem_partial
=
DBLE
(
complex_size
*
npwq0x
*
pert
%
nlocx
)/
DBLE
(
Mb
)
WRITE
(
stdout
,
'(5x,"[MEM] dvg ",f10.2," Mb", 5x,"(",i7,",",i5,")")'
)
&
mem_partial
,
npwq0x
,
pert
%
nlocx
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.dvg'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
!
mem_partial
=
DBLE
(
complex_size
*
npwq0x
*
pert
%
nlocx
)/
DBLE
(
Mb
)
WRITE
(
stdout
,
'(5x,"[MEM] dng ",f10.2," Mb", 5x,"(",i7,",",i5,")")'
)
&
mem_partial
,
npwq0x
,
pert
%
nlocx
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.dng'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
!
IF
(
gamma_only
)
THEN
...
...
@@ -98,6 +117,7 @@ SUBROUTINE wstat_memory_report()
ENDIF
WRITE
(
stdout
,
'(5x,"[MEM] hr_distr ",f10.2," Mb", 5x,"(",i7,",",i5,")")'
)
&
mem_partial
,
n_pdep_basis
,
pert
%
nlocx
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.hr_distr'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
!
IF
(
gamma_only
)
THEN
...
...
@@ -107,6 +127,7 @@ SUBROUTINE wstat_memory_report()
ENDIF
WRITE
(
stdout
,
'(5x,"[MEM] vr_distr ",f10.2," Mb", 5x,"(",i7,",",i5,")")'
)
&
mem_partial
,
n_pdep_basis
,
pert
%
nlocx
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.vr_distr'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
WRITE
(
stdout
,
'(5x,"[MEM] ----------------------------------------------------------")'
)
WRITE
(
stdout
,
'(5x,"[MEM] TOT ",f10.2," Mb", 5x)'
)
mem_tot
...
...
@@ -125,11 +146,13 @@ SUBROUTINE wstat_memory_report()
mem_partial
=
DBLE
(
complex_size
*
npwx
*
npol
*
nbnd_occ
(
1
))/
DBLE
(
Mb
)
WRITE
(
stdout
,
'(5x,"[MEM] dvpsi ",f10.2," Mb", 5x,"(",i7,",",i5,")")'
)
&
mem_partial
,
npwx
*
npol
,
nbnd_occ
(
1
)
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.dvpsi'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
!
mem_partial
=
DBLE
(
complex_size
*
npwx
*
npol
*
nbnd_occ
(
1
))/
DBLE
(
Mb
)
WRITE
(
stdout
,
'(5x,"[MEM] dpsi ",f10.2," Mb", 5x,"(",i7,",",i5,")")'
)
&
mem_partial
,
npwx
*
npol
,
nbnd_occ
(
1
)
IF
(
mpime
==
root
)
CALL
json
%
add
(
'memory.dpsi'
,
mem_partial
)
mem_tot
=
mem_tot
+
mem_partial
!
! mem_partial = DBLE(complex_size*dffts%nnr)/DBLE(Mb)
...
...
@@ -158,4 +181,13 @@ SUBROUTINE wstat_memory_report()
WRITE
(
stdout
,
'(5x,"[MEM] Total estimate ",f10.2," Mb", 5x)'
)
mem_tot
WRITE
(
stdout
,
'(5x,"[MEM] ----------------------------------------------------------")'
)
!
IF
(
mpime
==
root
)
THEN
!
OPEN
(
NEWUNIT
=
iunit
,
FILE
=
TRIM
(
logfile
)
)
CALL
json
%
print_file
(
iunit
)
CLOSE
(
iunit
)
CALL
json
%
destroy
()
!
ENDIF
!
END
SUBROUTINE
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