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fleur
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Commits
9f0cd78e
Commit
9f0cd78e
authored
Oct 26, 2018
by
Matthias Redies
1
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free() must be called for t_mat, not just deallocate
parent
cff74c36
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eigen/eigen.F90
eigen/eigen.F90
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eigen/eigen.F90
View file @
9f0cd78e
...
...
@@ -173,6 +173,7 @@ CONTAINS
l_wu
=
.FALSE.
ne_all
=
DIMENSION
%
neigd
if
(
allocated
(
zmat
))
then
CALL
zmat
%
free
()
deallocate
(
zmat
,
stat
=
dealloc_stat
,
errmsg
=
errmsg
)
if
(
dealloc_stat
/
=
0
)
call
juDFT_error
(
"deallocate failed for zmat"
,&
hint
=
errmsg
,
calledby
=
"eigen.F90"
)
...
...
@@ -200,6 +201,7 @@ 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"
)
...
...
@@ -228,6 +230,7 @@ CONTAINS
IF
(
banddos
%
unfoldband
)
THEN
CALL
calculate_plot_w_n
(
banddos
,
cell
,
kpts
,
smat_unfold
,
zMat
,
lapw
,
nk
,
jsp
,
eig
,
results
,
input
,
atoms
,
unfoldingBuffer
,
mpi
)
CALL
smat_unfold
%
free
()
DEALLOCATE
(
smat_unfold
,
stat
=
dealloc_stat
,
errmsg
=
errmsg
)
if
(
dealloc_stat
/
=
0
)
call
juDFT_error
(
"deallocate failed for smat_unfold"
,&
hint
=
errmsg
,
calledby
=
"eigen.F90"
)
...
...
Matthias Redies
@redies
mentioned in issue
#181 (closed)
·
Oct 26, 2018
mentioned in issue
#181 (closed)
mentioned in issue #181
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