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fleur
fleur
Commits
28d596db
Commit
28d596db
authored
Oct 09, 2018
by
Uliana Alekseeva
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hsmt_ab_gpu modified
parent
214579d1
Changes
1
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1 changed file
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11 additions
and
9 deletions
+11
-9
eigen/hsmt_ab.F90
eigen/hsmt_ab.F90
+11
-9
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eigen/hsmt_ab.F90
View file @
28d596db
...
...
@@ -19,10 +19,10 @@ CONTAINS
#ifdef _CUDA
ATTRIBUTES
(
global
)
SUBROUTINE
synth_ab
(
grid
,
block
,
n
,
lmax
,
iintsp
,
ab_size
,
gkrot_dev
,
fj
,
gj
,
c_ph
,
ab
)
ATTRIBUTES
(
global
)
SUBROUTINE
synth_ab
(
grid
,
block
,
n
,
lmax
,
ab_size
,
gkrot_dev
,
fj
,
gj
,
c_ph
,
ab
)
USE
m_ylm
INTEGER
,
VALUE
,
INTENT
(
IN
)
::
grid
,
block
,
n
,
lmax
,
iintsp
,
ab_size
REAL
,
DEVICE
,
INTENT
(
IN
)
::
gkrot_dev
(:,:),
fj
(:,:
,:),
gj
(:,
:,:)
INTEGER
,
VALUE
,
INTENT
(
IN
)
::
grid
,
block
,
n
,
lmax
,
ab_size
REAL
,
DEVICE
,
INTENT
(
IN
)
::
gkrot_dev
(:,:),
fj
(:,:
),
gj
(
:,:)
COMPLEX
,
DEVICE
,
INTENT
(
IN
)
::
c_ph
(:)
COMPLEX
,
DEVICE
,
INTENT
(
OUT
)
::
ab
(:,:)
COMPLEX
,
ALLOCATABLE
::
ylm
(:)
...
...
@@ -45,8 +45,8 @@ CONTAINS
DO
l
=
0
,
lmax
ll1
=
l
*
(
l
+1
)
DO
m
=
-
l
,
l
ab
(
i
,
ll1
+
m
+1
)
=
CONJG
(
fj
(
i
,
l
+1
,
iintsp
)
*
c_ph
(
i
)
*
ylm
(
ll1
+
m
+1
))
ab
(
i
,
ll1
+
m
+1
+
ab_size
)
=
CONJG
(
gj
(
i
,
l
+1
,
iintsp
)
*
c_ph
(
i
)
*
ylm
(
ll1
+
m
+1
))
ab
(
i
,
ll1
+
m
+1
)
=
CONJG
(
fj
(
i
,
l
+1
)
*
c_ph
(
i
)
*
ylm
(
ll1
+
m
+1
))
ab
(
i
,
ll1
+
m
+1
+
ab_size
)
=
CONJG
(
gj
(
i
,
l
+1
)
*
c_ph
(
i
)
*
ylm
(
ll1
+
m
+1
))
END
DO
END
DO
ENDDO
...
...
@@ -91,7 +91,8 @@ CONTAINS
COMPLEX
,
ALLOCATABLE
,
DEVICE
::
c_ph_dev
(:,:)
REAL
,
ALLOCATABLE
,
DEVICE
::
gkrot_dev
(:,:)
INTEGER
::
istat
,
grid
,
block
INTEGER
::
grid
,
block
!INTEGER :: istat
lmax
=
MERGE
(
atoms
%
lnonsph
(
n
),
atoms
%
lmax
(
n
),
l_nonsph
)
...
...
@@ -129,14 +130,15 @@ CONTAINS
!--> synthesize the complex conjugates of a and b
!call nvtxStartRange("hsmt_synthAB",5)
istat
=
cudaDeviceSynchronize
()
!
istat = cudaDeviceSynchronize()
! pretty ugly solution
block
=
256
grid
=
lapw
%
nv
(
1
)/(
block
*
4
)
+
1
CALL
synth_ab
<<<
grid
,
block
>>>
(
grid
,
block
,
lapw
%
nv
(
1
),
lmax
,
iintsp
,
ab_size
,
gkrot_dev
,
fj
,
gj
,
c_ph_dev
(:,
iintsp
),
ab
)
CALL
synth_ab
<<<
grid
,
block
>>>
(
grid
,
block
,
lapw
%
nv
(
1
),
lmax
,
ab_size
,
gkrot_dev
,&
fj
(:,:,
iintsp
),
gj
(:,:,
iintsp
),
c_ph_dev
(:,
iintsp
),
ab
)
istat
=
cudaDeviceSynchronize
()
!
istat = cudaDeviceSynchronize()
!call nvtxEndRange
IF
(
PRESENT
(
abclo
))
THEN
...
...
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