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fleur
fleur
Commits
0b3e6593
Commit
0b3e6593
authored
Mar 21, 2017
by
Gregor Michalicek
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Add parallelization recommendations also to info mode
parent
64f82bd8
Changes
4
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4 changed files
with
12 additions
and
6 deletions
+12
-6
io/cdn_io.F90
io/cdn_io.F90
+3
-3
main/fleur_info.f90
main/fleur_info.f90
+7
-1
main/fleur_init.F90
main/fleur_init.F90
+1
-1
mpi/setupMPI.F90
mpi/setupMPI.F90
+1
-1
No files found.
io/cdn_io.F90
View file @
0b3e6593
...
...
@@ -71,7 +71,7 @@ MODULE m_cdn_io
CALL
getMode
(
mode
)
WRITE
(
*
,
'(a)'
)
'Available densities info
'
WRITE
(
*
,
*
)
'Available densities info:
'
WRITE
(
*
,
*
)
IF
(
mode
.EQ.
CDN_HDF5_MODE
)
THEN
...
...
@@ -80,7 +80,7 @@ MODULE m_cdn_io
IF
(
l_exist
)
THEN
CALL
openCDN_HDF
(
fileID
,
currentStarsIndex
,
currentLatharmsIndex
,
currentStructureIndex
,&
currentStepfunctionIndex
,
readDensityIndex
,
lastDensityIndex
)
WRITE
(
*
,
'(a)'
)
'densityIndex prevDensity iteration d
istance'
WRITE
(
*
,
*
)
'densityIndex iteration prevDensity prevD
istance'
DO
i
=
1
,
lastDensityIndex
archiveName
=
''
WRITE
(
archiveName
,
'(a,i0)'
)
'/cdn-'
,
i
...
...
@@ -95,7 +95,7 @@ MODULE m_cdn_io
stepfunctionIndexTemp
,
previousDensityIndex
,
jspinsTemp
,&
distanceTemp
,
fermiEnergyTemp
,
l_qfixTemp
)
WRITE
(
*
,
'(
i7,8x,i7,5x,i7,4x,f15.8)'
)
i
,
previousDensityIndex
,
iterTemp
,
distanceTemp
WRITE
(
*
,
'(
1x,i7,6x,i7,7x,i7,4x,f15.8)'
)
i
,
iterTemp
,
previousDensityIndex
,
distanceTemp
END
DO
CALL
closeCDNPOT_HDF
(
fileID
)
...
...
main/fleur_info.f90
View file @
0b3e6593
...
...
@@ -19,13 +19,17 @@ MODULE m_fleur_info
CONTAINS
SUBROUTINE
fleur_info
()
SUBROUTINE
fleur_info
(
kpts
)
USE
m_juDFT
USE
m_cdn_io
USE
m_setupMPI
USE
m_types
IMPLICIT
NONE
TYPE
(
t_kpts
),
INTENT
(
IN
)
::
kpts
LOGICAL
::
l_exist
IF
(
.NOT.
juDFT_was_argument
(
"-info"
))
RETURN
...
...
@@ -33,6 +37,8 @@ MODULE m_fleur_info
WRITE
(
*
,
*
)
'Fleur info mode'
WRITE
(
*
,
*
)
'================================================='
WRITE
(
*
,
*
)
''
CALL
priv_dist_info
(
kpts
%
nkpt
)
WRITE
(
*
,
*
)
''
CALL
printDensityFileInfo
()
WRITE
(
*
,
*
)
'================================================='
CALL
juDFT_error
(
"Fleur info output completed"
)
...
...
main/fleur_init.F90
View file @
0b3e6593
...
...
@@ -491,7 +491,7 @@
END
IF
IF
(
mpi
%
irank
.EQ.
0
)
THEN
CALL
fleur_info
()
CALL
fleur_info
(
kpts
)
END
IF
!Finalize the MPI setup
...
...
mpi/setupMPI.F90
View file @
0b3e6593
...
...
@@ -143,7 +143,7 @@ CONTAINS
pe_k_only
(
k_only
)
=
n
ENDIF
END
DO
WRITE
(
*
,
*
)
"Most efficient parallelization for:"
WRITE
(
*
,
*
)
"Most efficient
MPI
parallelization for:"
WRITE
(
*
,
*
)
pe_k_only
(:
k_only
)
!check if eigenvalue parallelization is possible
IF
(
parallel_solver_available
())
WRITE
(
*
,
*
)
"Additional eigenvalue parallelization possible"
...
...
Write
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