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Added the bundled clFFT into OpenCL builds
2017-10-30
Alek
s
ei Iupinov
Fix referen
c
e mode b
u
ild
u
nu
s
ed func
t
ion
w
a
r
n
ings
commit
|
commitdiff
|
tree
2017-10-30
Alek
s
e
i
Iu
p
i
n
ov
Bring PME GPU/CU
D
A
i
nternal str
u
cture names to CamelCase
commit
|
commitdiff
|
tree
2017-10-30
A
leksei Iupinov
Use new/delete
f
or gmx_pme_t
commit
|
commitdiff
|
tree
2017-10-30
Alekse
i
I
u
pinov
Si
m
plify PME data handling in ru
n
ner
commit
|
commitdiff
|
tree
2017-10-29
A
leksei Iupinov
Mak
e
PME
tuning
l
ogic
m
ore readab
l
e
commit
|
commitdiff
|
tree
2017-10-27
Alekse
i
Iupinov
Remove u
n
used PME grid du
m
p debu
g
functions
commit
|
commitdiff
|
tree
2017-10-27
Alek
s
ei Iupi
n
ov
Replace a few asserts
w
i
t
h
G
M
X_ASSERT's
commit
|
commitdiff
|
tree
2017-10-27
Al
e
ksei Iupinov
Remove de
f
unct PME initialization error code return
commit
|
commitdiff
|
tree
2017-10-24
Aleksei
Iupinov
Remove du
p
l
i
c
at
e
/ou
t
dated function declaration
commit
|
commitdiff
|
tree
2017-10-24
Aleksei I
u
pinov
Move
c
ommrec
d
u
ty checki
n
g
in
t
o
s
i
mpl
e
gett
e
rs
commit
|
commitdiff
|
tree
2017-10-23
Ale
k
sei I
u
pinov
C
o
rrec
t
the pa
g
e allocator des
c
r
i
ption
commit
|
commitdiff
|
tree
2017-10-22
Aleksei Iupinov
Cha
n
ge PME GPU
g
a
ther reduct
i
on
a
rgument f
r
om boolean
.
.
.
commit
|
commitdiff
|
tree
2017-10-21
A
le
k
sei Iupino
v
Add calls to the
PME
G
PU
stages
commit
|
commitdiff
|
tree
2017-10-13
Aleksei Iu
p
inov
R
elax PME spline computat
i
on toleranc
e
i
n
d
oub
l
e
p
r
eci
s
ion
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
A
l
eksei Iupinov
Re
m
ove useless extern
CUDA texture reference declaratio
n
s
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
Alekse
i
I
upin
o
v
R
e
vert "Drop NB_ fr
o
m
GM
X
_CUD
A
_NB_S
I
NGLE_COMPILAT
I
ON_
U
NIT
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
Fix clang warni
n
g
s for PM
E
C
UDA
ke
r
nels
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iup
i
nov
Rel
a
x P
M
E s
o
l
ving t
e
s
t
comp
l
ex g
r
id tolerance
commit
|
commitdiff
|
tree
2017-10-11
A
l
eks
e
i
Iupi
n
ov
CUDA
9/Volta support for P
M
E
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
PME s
o
lving - CUDA kernel +
u
nit tests
commit
|
commitdiff
|
tree
2017-10-11
Al
e
ksei Iupino
v
PME
f
orce
g
ath
e
ring - C
U
DA kernel + unit tests
commit
|
commitdiff
|
tree
2017-10-11
A
leksei Iupinov
Dro
p
NB_
f
ro
m
GMX_CUDA
_
NB_SINGLE_COMPIL
A
TIO
N
_
U
N
IT cmake
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Al
e
ksei Iu
p
i
n
ov
PME spline+spread CUDA kernel and u
n
it te
s
ts
commit
|
commitdiff
|
tree
2017-10-09
Aleksei
I
u
pinov
Remove some unnecessary
inclu
d
es f
r
om
PME
commit
|
commitdiff
|
tree
2017-10-09
Aleksei I
u
pin
o
v
PME
G
P
U
/CUDA
data framew
o
rk
.
commit
|
commitdiff
|
tree
2017-10-06
Aleksei Iupino
v
Add timing
accum
u
lation capabil
i
ty into Gp
u
R
e
gionT
i
mer
commit
|
commitdiff
|
tree
2017-10-04
Aleksei Iu
p
i
n
o
v
Remov
e
GPU timing fu
n
ctions
s
up
e
rseded by
G
p
u
RegionTimer
commit
|
commitdiff
|
tree
2017-10-04
Aleksei I
u
p
i
nov
Ad
d
GpuRegionT
i
mer
c
lass
commit
|
commitdiff
|
tree
2017-10-03
Aleksei Iu
p
in
o
v
Bring CUD
A
te
x
ture getters docume
n
tation
u
p-to-date
commit
|
commitdiff
|
tree
2017-10-03
Aleksei Iupinov
Template/move CUDA t
e
xture cleanup c
o
de fr
o
m NB CUDA
.
.
.
commit
|
commitdiff
|
tree
2017-10-03
Aleksei Iupinov
Add
W
in
A
PI page size query
for allocator
p
urposes
commit
|
commitdiff
|
tree
2017-09-26
Aleksei I
u
pinov
Move
C
UDA t
e
xture setup code from N
B
CUDA module to
.
.
.
commit
|
commitdiff
|
tree
2017-09-22
Aleksei I
u
pin
o
v
Template t
h
e
C
UDA texture
setup code
o
n raw value typ
e
T
commit
|
commitdiff
|
tree
2017-09-21
A
leksei Iup
i
nov
Eliminate
u
nused Coulomb correc
t
ion
table
s
i
z
e
c
oulomb_
t
a
b_size
commit
|
commitdiff
|
tree
2017-09-21
A
l
eksei Iupinov
Elimi
n
ate du
p
lica
t
e
C
UDA texture setup cod
e
commit
|
commitdiff
|
tree
2017-09-18
Aleksei Iupin
o
v
Sk
i
p
G
PU rea
l
location
o
f
an empty non-local pairli
s
t
commit
|
commitdiff
|
tree
2017-09-14
Al
e
k
s
ei
Iupinov
Fix non-SIMD build failing
commit
|
commitdiff
|
tree
2017-09-12
Aleksei Iupinov
Prevent reference
X
ML rea
d
er segfa
u
lt
on nullptr error
.
.
.
commit
|
commitdiff
|
tree
2017-09-04
Alekse
i
I
upinov
M
e
rge "Merge branch release-5-1 into
r
elease-201
6
"
.
.
.
commit
|
commitdiff
|
tree
2017-08-31
Ale
k
s
e
i Iupinov
Bring back space lost in commit e43e83bf
commit
|
commitdiff
|
tree
2017-08-29
A
l
e
ksei Iup
i
nov
R
emove
leftover fu
n
ction declaration
commit
|
commitdiff
|
tree
2017-08-29
Alekse
i
Iupinov
F
i
x typo
commit
|
commitdiff
|
tree
2017-08-29
Aleksei I
u
pi
n
ov
A
llow passing optional width argument into CUDA sh
u
ffle
.
.
.
commit
|
commitdiff
|
tree
2017-08-29
Aleksei Iupinov
Adjust P
M
E L
J
solver test input coe
f
f
i
c
i
ent
commit
|
commitdiff
|
tree
2017-08-22
Aleksei
I
upinov
Separa
t
e PME spread and
g
at
h
er wallcycle co
u
nt
e
rs
commit
|
commitdiff
|
tree
2017-08-21
Aleksei
Iupi
n
ov
P
ME solving tests
commit
|
commitdiff
|
tree
2017-08-17
Aleksei
I
upinov
Merge "Merge branc
h
release-5-1 into
release-2016"
.
.
.
commit
|
commitdiff
|
tree
2017-06-30
Aleksei Iupinov
Remove o
u
tdated cmake
n
v
c
c log
i
c
commit
|
commitdiff
|
tree
2017-06-12
A
leksei Iupinov
S
t
ore a physical node com
m
unicator i
n
t_comm
r
e
c
commit
|
commitdiff
|
tree
2017-03-17
Aleksei Iup
i
no
v
Fix deref
e
rencing nullptr
in PME solve
w
ork destructor
commit
|
commitdiff
|
tree
2017-03-03
Aleksei Iupinov
Re
m
ove out
d
ate
d
C
U
DA version chec
k
commit
|
commitdiff
|
tree
2017-02-21
Al
e
ksei
I
upin
o
v
Remo
v
e un
u
sed function cu_sy
n
c
h
strea
m
_atdat
(
)
commit
|
commitdiff
|
tree
2017-02-09
A
l
eksei
I
upi
n
ov
Add initialization t
o
dvdla
m
bda
in bonded
for
c
es tests
commit
|
commitdiff
|
tree
2017-02-09
Al
e
ksei
Iupinov
Fi
x
typo (Dih
e
darl -> Dihedra
l
)
commit
|
commitdiff
|
tree
2017-02-08
A
l
e
ksei Iupinov
PME force
gath
e
r
i
ng test
s
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
Fix invalid tricl
i
n
ic box in
t
he PM
E
t
e
st
d
ata
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
PME spline co
m
putat
i
on and ch
a
rge spreading tests
commit
|
commitdiff
|
tree
2017-01-24
Ale
k
sei Iupinov
Add const qualifier to
s
ome PME spread arguments
commit
|
commitdiff
|
tree
2017-01-19
Ale
k
sei Iupinov
Simp
l
ify gmx_count_gpu_dev_uniq
u
e
()
commit
|
commitdiff
|
tree
2017-01-19
A
l
eksei Iupinov
PME B-Spline mod
u
li co
m
puta
t
ion unit test
commit
|
commitdiff
|
tree
2017-01-05
Aleksei Iupi
n
ov
Fix c
o
mpil
a
tion wit
h
CMAKE_CX
X
_FLAGS=
"
-
W
all -We
r
r
o
r"
commit
|
commitdiff
|
tree
2016-12-22
Aleksei
I
upino
v
Re
m
o
ve unus
e
d memb
e
r thread_one from t
h
e PM
E
spline
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
A
leksei
Iupino
v
Stop including parallel_3dfft
.
h in headers
commit
|
commitdiff
|
tree
2016-12-01
A
lek
s
ei
Iup
i
nov
Move GPU assign
m
ent functio
n
s i
n
to a separate file
commit
|
commitdiff
|
tree
2016-11-21
A
l
e
k
se
i
Iupinov
Move hardcoded PME gri
d
inde
x
ing constants into he
a
der
commit
|
commitdiff
|
tree
2016-11-01
A
lekse
i
Iupi
n
o
v
R
e
move imatr
i
x type and related unused/erroneous code
commit
|
commitdiff
|
tree
2016-10-24
Al
e
kse
i
Iupi
n
ov
Tre
a
t CUDA
f
iles a
s
C++ duri
n
g cppcheck
commit
|
commitdiff
|
tree
2016-10-10
A
l
eks
e
i Iupinov
Fix trivi
a
l PME memory leaks
commit
|
commitdiff
|
tree
2016-09-15
A
l
eksei Iupi
n
ov
Move the PME Ew
a
ld coef
f
i
cients to the
P
M
E structu
r
e
commit
|
commitdiff
|
tree
2016-09-10
Al
e
k
sei Iupi
n
ov
F
i
x
P
ME data
d
estructor not being called
commit
|
commitdiff
|
tree