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
51
Issues
51
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
ded182a0
Commit
ded182a0
authored
Jun 03, 2016
by
Daniel Wortmann
Browse files
Options
Browse Files
Download
Email Patches
Plain Diff
Fixed routine for parallel case. TODO: the dgemm was replaced by matmul, this should be
changed again for reasonable performance
parent
8c1f7140
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
8 additions
and
5 deletions
+8
-5
eigen/hsmt_nonsph.F90
eigen/hsmt_nonsph.F90
+8
-5
No files found.
eigen/hsmt_nonsph.F90
View file @
ded182a0
...
...
@@ -73,6 +73,8 @@ CONTAINS
INTEGER
::
n_threads
,
thread
,
blocksize
,
maxloop
INTEGER
,
ALLOCATABLE
::
start_thread
(:),
stop_thread
(:)
lnonsphd
=
MAXVAL
(
atoms
%
lnonsph
)
*
(
MAXVAL
(
atoms
%
lnonsph
)
+2
)
ALLOCATE
(
dtd
(
0
:
lnonsphd
,
0
:
lnonsphd
),
utd
(
0
:
lnonsphd
,
0
:
lnonsphd
),
dtu
(
0
:
lnonsphd
,
0
:
lnonsphd
),
utu
(
0
:
lnonsphd
,
0
:
lnonsphd
))
!Decide how to distribute the work
...
...
@@ -209,13 +211,14 @@ CONTAINS
DO
WHILE
(
kii
<
lapw
%
nv_tot
)
!DO kii = n_rank, nv_tot-1, n_size
ki
=
MOD
(
kii
,
lapw
%
nv
(
iintsp
))
+
1
bsize
=
MIN
(
SIZE
(
aa_block
,
1
),
lapw
%
nv
(
iintsp
)/
n_size
-
ki
*
n_size
+1
)
!Either use maximal blocksize or number of rows left to calculate
bsize
=
MIN
(
SIZE
(
aa_block
,
1
),
(
lapw
%
nv
(
iintsp
)
-
ki
)/
n_size
+1
)
!Either use maximal blocksize or number of rows left to calculate
IF
(
bsize
<
1
)
EXIT
!nothing more to do here
bsize2
=
bsize
*
n_size
!aa_block(:bsize,:ki+bsize2-1)=matmul(a(ki:ki+bsize-1:n_size,0:lmp,iintsp),conjg(transpose(ax(:ki+bsize2-1,0:lmp))))+ &
! matmul(b(ki:ki+bsize-1:n_size,0:lmp,iintsp),conjg(transpose(bx(:ki+bsize2-1,0:lmp))))
CALL
zgemm
(
"N"
,
"C"
,
bsize
,
ki
+
bsize2
-1
,
lmp
+1
,
one
,
a
(
ki
,
0
,
iintsp
),
SIZE
(
a
,
1
)
*
n_size
,
ax
(
1
,
0
),
SIZE
(
ax
,
1
),
zero
,
aa_block
,
SIZE
(
aa_block
,
1
))
CALL
zgemm
(
"N"
,
"C"
,
bsize
,
ki
+
bsize2
-1
,
lmp
+1
,
one
,
b
(
ki
,
0
,
iintsp
),
SIZE
(
a
,
1
)
*
n_size
,
bx
(
1
,
0
),
SIZE
(
ax
,
1
),
one
,
aa_block
,
SIZE
(
aa_block
,
1
))
bsize2
=
min
(
bsize2
,
lapw
%
nv
(
iintsp
)
-
ki
+1
)
aa_block
(:
bsize
,:
ki
+
bsize2
-1
)
=
matmul
(
a
(
ki
:
ki
+
bsize2
-1
:
n_size
,
0
:
lmp
,
iintsp
),
conjg
(
transpose
(
ax
(:
ki
+
bsize2
-1
,
0
:
lmp
))))
+
&
matmul
(
b
(
ki
:
ki
+
bsize2
-1
:
n_size
,
0
:
lmp
,
iintsp
),
conjg
(
transpose
(
bx
(:
ki
+
bsize2
-1
,
0
:
lmp
))))
!CALL zgemm("N","C",bsize,ki+bsize2-1,lmp+1,one,a(ki,0,iintsp),SIZE(a,1)*n_size,ax(1,0),SIZE(ax,1),zero,aa_block,SIZE(aa_block,1))
!CALL zgemm("N","C",bsize,ki+bsize2-1,lmp+1,one,b(ki,0,iintsp),SIZE(a,1)*n_size,bx(1,0),SIZE(ax,1),one,aa_block,SIZE(aa_block,1))
DO
kb
=
1
,
bsize
IF
(
noco
%
l_noco
.AND.
(
.NOT.
noco
%
l_ss
)
)
THEN
nc
=
1
+
kii
/
n_size
...
...
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