Skip to content
GitLab
Projects
Groups
Snippets
Help
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
fleur
Project overview
Project overview
Details
Activity
Releases
Repository
Repository
Files
Commits
Branches
Tags
Contributors
Graph
Compare
Issues
54
Issues
54
List
Boards
Labels
Service Desk
Milestones
Operations
Operations
Incidents
Packages & Registries
Packages & Registries
Container Registry
Analytics
Analytics
Repository
Value Stream
Wiki
Wiki
Members
Members
Collapse sidebar
Close sidebar
Activity
Graph
Create a new issue
Commits
Issue Boards
Open sidebar
fleur
fleur
Commits
deffce9d
Commit
deffce9d
authored
Oct 04, 2018
by
Uliana Alekseeva
Browse files
Options
Browse Files
Download
Email Patches
Plain Diff
tiny bugfixes in elpa.F90
parent
46eb19cd
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
8 additions
and
8 deletions
+8
-8
diagonalization/elpa.F90
diagonalization/elpa.F90
+8
-8
No files found.
diagonalization/elpa.F90
View file @
deffce9d
...
...
@@ -110,7 +110,7 @@ CONTAINS
nb
=
hmat
%
blacsdata
%
blacs_desc
(
5
)
! Blocking factor
IF
(
nb
.NE.
hmat
%
blacsdata
%
%
blacs_desc
(
6
))
CALL
judft_error
(
"Different block sizes for rows/columns not supported"
)
IF
(
nb
.NE.
hmat
%
blacsdata
%
blacs_desc
(
6
))
CALL
judft_error
(
"Different block sizes for rows/columns not supported"
)
#ifdef CPP_ELPA_201705003
CALL
elpa_obj
%
set
(
"na"
,
hmat
%
global_size1
,
err
)
...
...
@@ -118,7 +118,7 @@ CONTAINS
CALL
elpa_obj
%
set
(
"local_nrows"
,
hmat
%
matsize1
,
err
)
CALL
elpa_obj
%
set
(
"local_ncols"
,
hmat
%
matsize2
,
err
)
CALL
elpa_obj
%
set
(
"nblk"
,
nb
,
err
)
CALL
elpa_obj
%
set
(
"mpi_comm_parent"
,
hmat
%
blacsdata
%
%
mpi_com
,
err
)
CALL
elpa_obj
%
set
(
"mpi_comm_parent"
,
hmat
%
blacsdata
%
mpi_com
,
err
)
CALL
elpa_obj
%
set
(
"process_row"
,
myrow
,
err
)
CALL
elpa_obj
%
set
(
"process_col"
,
mycol
,
err
)
#ifdef CPP_ELPA2
...
...
@@ -188,8 +188,8 @@ CONTAINS
DO
i
=
1
,
hmat
%
matsize2
! Get global column corresponding to i and number of local rows up to
! and including the diagonal, these are unchanged in H
n_col
=
indxl2g
(
i
,
nb
,
mycol
,
0
,
hmat
%
npcol
)
n_row
=
numroc
(
n_col
,
nb
,
myrow
,
0
,
hmat
%
nprow
)
n_col
=
indxl2g
(
i
,
nb
,
mycol
,
0
,
hmat
%
blacsdata
%
npcol
)
n_row
=
numroc
(
n_col
,
nb
,
myrow
,
0
,
hmat
%
blacsdata
%
nprow
)
IF
(
hmat
%
l_real
)
THEN
hmat
%
data_r
(
n_row
+1
:
hmat
%
matsize1
,
i
)
=
0.d0
ELSE
...
...
@@ -200,18 +200,18 @@ CONTAINS
IF
(
hmat
%
l_real
)
THEN
CALL
pdtran
(
hmat
%
global_size1
,
hmat
%
global_size1
,
1.d0
,
hmat
%
data_r
,
1
,
1
,&
hmat
%
blacs
_desc
,
0.d0
,
ev_dist
%
data_r
,
1
,
1
,
ev_dist
%
blacsdata
%
%
blacs_desc
)
hmat
%
blacs
data
%
blacs_desc
,
0.d0
,
ev_dist
%
data_r
,
1
,
1
,
ev_dist
%
blacsdata
%
blacs_desc
)
ELSE
CALL
pztranc
(
hmat
%
global_size1
,
hmat
%
global_size2
,
cmplx
(
1.d0
,
0.d0
),
hmat
%
data_c
,
1
,
1
,&
hmat
%
blacs
_desc
,
cmplx
(
0.d0
,
0.d0
),
ev_dist
%
data_c
,
1
,
1
,
ev_dist
%
blacsdata
%
%
blacs_desc
)
hmat
%
blacs
data
%
blacs_desc
,
cmplx
(
0.d0
,
0.d0
),
ev_dist
%
data_c
,
1
,
1
,
ev_dist
%
blacsdata
%
blacs_desc
)
ENDIF
DO
i
=
1
,
hmat
%
matsize2
! Get global column corresponding to i and number of local rows up to
! and including the diagonal, these are unchanged in H
n_col
=
indxl2g
(
i
,
nb
,
mycol
,
0
,
hmat
%
npcol
)
n_row
=
numroc
(
n_col
,
nb
,
myrow
,
0
,
hmat
%
nprow
)
n_col
=
indxl2g
(
i
,
nb
,
mycol
,
0
,
hmat
%
blacsdata
%
npcol
)
n_row
=
numroc
(
n_col
,
nb
,
myrow
,
0
,
hmat
%
blacsdata
%
nprow
)
IF
(
hmat
%
l_real
)
THEN
hmat
%
data_r
(
n_row
+1
:
hmat
%
matsize1
,
i
)
=
ev_dist
%
data_r
(
n_row
+1
:
ev_dist
%
matsize1
,
i
)
ELSE
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment