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fleur
fleur
Commits
37a445c8
Commit
37a445c8
authored
Oct 29, 2018
by
Daniel Wortmann
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Some more explicit freeing of blacs-descriptors
parent
557ee803
Changes
2
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2 changed files
with
7 additions
and
6 deletions
+7
-6
eigen/eigen.F90
eigen/eigen.F90
+2
-1
eigen/eigen_redist_matrix.f90
eigen/eigen_redist_matrix.f90
+5
-5
No files found.
eigen/eigen.F90
View file @
37a445c8
...
...
@@ -200,6 +200,7 @@ CONTAINS
CALL
eigen_diag
(
mpi
,
hmat
,
smat
,
nk
,
jsp
,
iter
,
ne_all
,
eig
,
zMat
)
CALL
smat
%
free
()
CALL
hmat
%
free
()
DEALLOCATE
(
hmat
,
smat
,
stat
=
dealloc_stat
,
errmsg
=
errmsg
)
if
(
dealloc_stat
/
=
0
)
call
juDFT_error
(
"deallocate failed for hmat or smat"
,&
hint
=
errmsg
,
calledby
=
"eigen.F90"
)
...
...
@@ -232,7 +233,7 @@ CONTAINS
if
(
dealloc_stat
/
=
0
)
call
juDFT_error
(
"deallocate failed for smat_unfold"
,&
hint
=
errmsg
,
calledby
=
"eigen.F90"
)
END
IF
CALL
zmat
%
free
()
END
DO
k_loop
END
DO
! spin loop ends
...
...
eigen/eigen_redist_matrix.f90
View file @
37a445c8
...
...
@@ -38,22 +38,22 @@ CONTAINS
!up-up component (or only component in collinear case)
IF
(
SIZE
(
mat
)
==
1
)
THEN
CALL
mat_final
%
move
(
mat
(
1
,
1
))
!
CALL mat(1,1)%free()
CALL
mat
(
1
,
1
)
%
free
()
RETURN
ENDIF
CALL
mat_final
%
copy
(
mat
(
1
,
1
),
1
,
1
)
!
CALL mat(1,1)%free()
CALL
mat
(
1
,
1
)
%
free
()
!down-down component
CALL
mat_final
%
copy
(
mat
(
2
,
2
),
lapw
%
nv
(
1
)
+
atoms
%
nlotot
+1
,
lapw
%
nv
(
1
)
+
atoms
%
nlotot
+1
)
!
CALL mat(2,2)%free()
CALL
mat
(
2
,
2
)
%
free
()
!Now collect off-diagonal parts
CALL
mat
(
1
,
2
)
%
add_transpose
(
mat
(
2
,
1
))
CALL
mat_final
%
copy
(
mat
(
1
,
2
),
1
,
lapw
%
nv
(
1
)
+
atoms
%
nlotot
+1
)
!
CALL mat(1,2)%free()
!
CALL mat(2,1)%free()
CALL
mat
(
1
,
2
)
%
free
()
CALL
mat
(
2
,
1
)
%
free
()
END
SUBROUTINE
eigen_redist_matrix
END
MODULE
m_eigen_redist_matrix
...
...
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