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PME force gathering - CUDA kernel + unit tests
2017-10-11
Aleksei Iupinov
PME force
g
athering - CU
D
A kernel + un
i
t tests
commit
|
commitdiff
|
tree
2017-10-11
Alek
s
ei I
u
pinov
Drop
NB_ from GMX_C
U
DA_N
B
_SINGLE_COMP
I
L
A
TION_
U
NIT cma
k
e
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
I
up
i
nov
PME spline+
s
pread CUDA kernel and unit tests
commit
|
commitdiff
|
tree
2017-10-09
Aleksei Iupinov
Remo
v
e s
o
m
e
unnecessary inclu
d
es fro
m
PME
commit
|
commitdiff
|
tree
2017-10-09
Aleksei
Iu
p
inov
PME GP
U
/
C
U
D
A data framework
.
commit
|
commitdiff
|
tree
2017-10-06
Aleksei
Iupi
n
ov
Add
timing accumulat
i
on
capability
into
GpuRegionTimer
commit
|
commitdiff
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tree
2017-10-04
Aleksei Iupinov
Remove GPU timing functions superseded by GpuRegionTim
e
r
commit
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commitdiff
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tree
2017-10-04
Alekse
i
Iupinov
A
d
d
GpuRegionTimer
c
l
a
s
s
commit
|
commitdiff
|
tree
2017-10-03
Alekse
i
Iupinov
Bring
CUD
A
te
x
tur
e
getters docume
n
tation
u
p
-to-date
commit
|
commitdiff
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tree
2017-10-03
Aleksei Iupino
v
Tem
p
late
/
mo
v
e CUDA texture c
l
ea
n
up code from NB CUDA
.
.
.
commit
|
commitdiff
|
tree
2017-10-03
Al
e
ksei
I
upinov
A
d
d WinAPI page size q
u
er
y
for alloca
t
or purposes
commit
|
commitdiff
|
tree
2017-09-26
A
leksei Iupinov
Move CUDA
t
exture setup code from NB
C
U
D
A module to
.
.
.
commit
|
commitdiff
|
tree
2017-09-22
Aleksei Iup
i
no
v
T
e
m
p
late the CUD
A
te
x
tu
r
e setup cod
e
on r
a
w
v
a
l
ue
t
ype T
commit
|
commitdiff
|
tree
2017-09-21
Aleks
e
i Iupinov
Elimi
n
ate unu
s
ed C
o
u
l
o
mb cor
r
e
c
tion tab
l
e size coulomb_tab_size
commit
|
commitdiff
|
tree
2017-09-21
Aleksei Iup
i
n
ov
Eliminate dupli
c
a
t
e
C
UDA te
x
ture setup code
commit
|
commitdiff
|
tree
2017-09-18
Alekse
i
Iupinov
Sk
i
p GPU real
l
o
ca
t
i
o
n
of an empty non-local pa
i
r
l
i
st
commit
|
commitdiff
|
tree
2017-09-14
A
l
eksei Iupin
o
v
F
ix non-
S
IM
D
build failing
commit
|
commitdiff
|
tree
2017-09-12
Alek
s
e
i
Iupinov
Pr
e
v
e
nt reference XML reader segfault on n
u
llp
t
r err
o
r
.
.
.
commit
|
commitdiff
|
tree
2017-09-04
Aleksei
Iu
p
inov
Mer
g
e "Merge
b
r
anch r
e
lease-5-1 into release-2016"
.
.
.
commit
|
commitdiff
|
tree
2017-08-31
Aleksei
Iupinov
Bring back spac
e
lost in commit e
4
3
e
83bf
commit
|
commitdiff
|
tree
2017-08-29
Aleksei Iupi
n
ov
Remove leftover
f
unction declaration
commit
|
commitdiff
|
tree
2017-08-29
Ale
k
sei
I
up
i
nov
Fix typo
commit
|
commitdiff
|
tree
2017-08-29
A
lekse
i
Iupinov
Allow passing
optional w
i
dth argumen
t
into
C
UDA shu
f
fle
.
.
.
commit
|
commitdiff
|
tree
2017-08-29
Aleksei Iupinov
Adjust PME LJ solv
e
r
tes
t
input coefficient
commit
|
commitdiff
|
tree
2017-08-22
Aleks
e
i
Iupinov
Separate
P
ME
spread and gather w
a
llcycle c
o
unter
s
commit
|
commitdiff
|
tree
2017-08-21
Alekse
i
I
upinov
P
ME solv
i
ng te
s
ts
commit
|
commitdiff
|
tree
2017-08-17
Aleksei Iupinov
Merge "Merge
b
ranch releas
e
-5-1 into release-2016
"
.
.
.
commit
|
commitdiff
|
tree
2017-06-30
Aleksei Iupinov
Remove outdated cmake nvcc logic
commit
|
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tree
2017-06-12
Aleksei
Iupinov
S
t
ore a ph
y
sical node communicator in t_comm
r
ec
commit
|
commitdiff
|
tree
2017-03-17
Aleksei Iupinov
Fix deref
e
rencing nul
l
ptr
i
n PME solve work
d
estructor
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|
commitdiff
|
tree
2017-03-03
Aleksei Iupi
n
ov
Remove
outdate
d
CUDA
v
ersion check
commit
|
commitdiff
|
tree
2017-02-21
Ale
k
sei Iup
i
n
o
v
Remo
v
e unused function cu_
s
ynchstr
e
am_atdat()
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupi
n
ov
Ad
d
initialization
t
o dvdlambda in
bo
n
d
e
d forces tests
commit
|
commitdiff
|
tree
2017-02-09
Ale
k
sei Iupinov
Fix typo (Diheda
r
l
-
> Dihedral)
commit
|
commitdiff
|
tree
2017-02-08
A
l
eksei
I
upinov
PME forc
e
gathering tests
commit
|
commitdiff
|
tree
2017-02-08
Aleks
e
i Iupinov
Fix
i
nvalid triclinic b
o
x in the PME test
d
ata
commit
|
commitdiff
|
tree
2017-01-24
Aleksei
I
upi
n
ov
P
ME spline computation
and ch
a
rge
spreading tests
commit
|
commitdiff
|
tree
2017-01-24
A
leksei Iup
i
n
o
v
Add const qualifier
to some PME spread arguments
commit
|
commitdiff
|
tree
2017-01-19
Aleksei Iupinov
Simp
l
ify gmx_
c
o
u
n
t_gpu_dev_u
n
ique
(
)
commit
|
commitdiff
|
tree
2017-01-19
Aleksei I
u
pino
v
PME B-Spline moduli computation unit t
e
st
commit
|
commitdiff
|
tree
2017-01-05
Aleksei Iupino
v
Fix co
m
pilation with
CMAKE_CXX_FLAGS="-Wal
l
-W
e
rror"
commit
|
commitdiff
|
tree
2016-12-22
Alek
s
e
i
Iupinov
R
e
move unused member t
h
read_one
f
r
om the PME s
p
line
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Al
e
k
s
ei Iupinov
Stop
i
n
clu
d
ing parallel_3dfft
.
h
in headers
commit
|
commitdiff
|
tree
2016-12-01
Al
e
ksei Iupinov
Move GPU as
s
ignme
n
t
f
uncti
o
ns into a separat
e
file
commit
|
commitdiff
|
tree
2016-11-21
Al
e
ksei Iupinov
M
o
ve hardcoded PME grid
indexing constants
i
nto header
commit
|
commitdiff
|
tree
2016-11-01
Alek
s
ei Iupinov
Remove imatrix type a
n
d re
l
ated unus
e
d
/e
r
roneous
co
d
e
commit
|
commitdiff
|
tree
2016-10-24
A
l
e
k
sei Iu
p
inov
Trea
t
CUDA files as C++ durin
g
cppcheck
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|
commitdiff
|
tree
2016-10-10
Aleksei Iupino
v
Fi
x
trivial PME memory leaks
commit
|
commitdiff
|
tree
2016-09-15
Alekse
i
Iupi
n
ov
Move the PME Ewald
c
oefficients to the PME structur
e
commit
|
commitdiff
|
tree
2016-09-10
A
le
k
se
i
Iupinov
Fix PME
d
ata destr
u
ctor no
t
being ca
l
led
commit
|
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|
tree