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fleur
fleur
Commits
41c649b8
Commit
41c649b8
authored
Dec 19, 2018
by
Matthias Redies
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include diagonalization info and avoid duplicates
parent
5dcb2554
Changes
2
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2 changed files
with
10 additions
and
1 deletion
+10
-1
diagonalization/eigen_diag.F90
diagonalization/eigen_diag.F90
+2
-0
juDFT/usage_data.F90
juDFT/usage_data.F90
+8
-1
No files found.
diagonalization/eigen_diag.F90
View file @
41c649b8
...
...
@@ -66,6 +66,7 @@ CONTAINS
USE
m_types_gpumat
USE
m_matrix_copy
USE
m_cusolver_diag
USE
m_judft_usage
IMPLICIT
NONE
#ifdef CPP_MPI
include
'mpif.h'
...
...
@@ -108,6 +109,7 @@ CONTAINS
CALL
timestart
(
"Diagonalization"
)
!Select the solver
CALL
add_usage_data
(
"diag-solver"
,
priv_select_solver
(
parallel
))
SELECT
CASE
(
priv_select_solver
(
parallel
))
CASE
(
diag_elpa
)
CALL
elpa_diag
(
hmat
,
smat
,
ne
,
eig
,
ev
)
...
...
juDFT/usage_data.F90
View file @
41c649b8
...
...
@@ -21,7 +21,14 @@ MODULE m_judft_usage
CONTAINS
SUBROUTINE
add_usage_data_s
(
key
,
VALUE
)
IMPLICIT
NONE
CHARACTER
(
len
=*
),
INTENT
(
IN
)::
key
,
VALUE
CHARACTER
(
len
=*
),
INTENT
(
IN
)
::
key
,
VALUE
INTEGER
::
i
! don't add a key twice
do
i
=
1
,
no_keys
if
(
keys
(
i
)
==
key
)
return
enddo
no_keys
=
no_keys
+1
IF
(
no_keys
>
MAX_NO_KEYS
)
STOP
"BUG, too many keys in usage_data"
keys
(
no_keys
)
=
key
...
...
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