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Remove duplicate/outdated function declaration
2017-10-24
Aleksei
I
upinov
Remove duplicate/outdated function declaration
commit
|
commitdiff
|
tree
2017-10-24
Aleksei Iupinov
Move commrec
duty
c
hecking into sim
p
le get
t
ers
commit
|
commitdiff
|
tree
2017-10-23
Aleksei Iup
i
nov
Cor
r
e
c
t th
e
page allo
c
ator description
commit
|
commitdiff
|
tree
2017-10-22
A
l
e
ksei Iupinov
Change P
M
E GPU
g
athe
r
reduction ar
g
ument from boolean
.
.
.
commit
|
commitdiff
|
tree
2017-10-21
Aleksei Iupinov
Add cal
l
s to the PME GPU st
a
g
e
s
commit
|
commitdiff
|
tree
2017-10-13
Aleksei Iup
i
nov
R
elax PM
E
spline computation tolerance in double pre
c
ision
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
A
lek
s
ei I
u
pinov
Remove use
l
e
ss
extern CU
D
A t
e
xture r
e
feren
c
e d
e
clarations
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
Aleksei
I
upinov
Revert "Dr
o
p NB_ from GMX_CUDA_NB_SINGLE_COMPILAT
I
ON_UNIT
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
I
upino
v
Fix clang w
a
rnings for
P
M
E
CU
D
A kernel
s
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
Iupino
v
Relax
P
ME s
o
l
v
i
ng test com
p
l
e
x g
r
id tole
r
an
c
e
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
C
U
DA 9/V
o
lta support for PME
commit
|
commitdiff
|
tree
2017-10-11
Aleks
e
i Iupinov
PME solving
- C
U
DA kern
e
l +
u
nit
tests
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
Iupinov
PME f
o
rce gathering
- CU
D
A
kernel + u
n
i
t
tests
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
Drop NB
_
f
r
om GMX_CUDA_
N
B
_S
I
N
G
LE_CO
M
PILATION_UNIT cmak
e
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Al
e
ks
e
i Iupinov
P
ME s
p
l
i
n
e+
s
p
r
ead
C
U
D
A kerne
l
and unit
t
ests
commit
|
commitdiff
|
tree
2017-10-09
Al
e
k
sei Iupinov
Remove so
m
e unnec
e
ssary inclu
d
es fro
m
P
ME
commit
|
commitdiff
|
tree
2017-10-09
Aleksei
Iupinov
P
ME
GPU
/
CUDA
d
ata fram
e
work
.
commit
|
commitdiff
|
tree
2017-10-06
Ale
k
sei Iupinov
Add tim
i
ng accumula
t
ion capabil
i
ty
i
nto GpuRegionTimer
commit
|
commitdiff
|
tree
2017-10-04
Aleksei Iup
i
n
o
v
Remove GPU t
i
ming
f
unctions superseded by Gp
u
RegionTimer
commit
|
commitdiff
|
tree
2017-10-04
Alek
s
e
i Iupin
o
v
Add Gp
u
RegionTimer class
commit
|
commitdiff
|
tree
2017-10-03
Aleks
e
i Iupinov
Brin
g
CUDA texture getters docu
m
entatio
n
up-to-date
commit
|
commitdiff
|
tree
2017-10-03
A
leksei Iupinov
Templat
e
/move CUDA texture cl
e
anu
p
c
o
d
e from NB CUDA
.
.
.
commit
|
commitdiff
|
tree
2017-10-03
Alek
s
ei
Iupinov
Add WinAP
I
p
a
ge s
i
ze qu
e
r
y for
a
llocat
o
r pu
r
poses
commit
|
commitdiff
|
tree
2017-09-26
Aleksei Iupinov
Move CUDA texture set
u
p code from NB CUDA m
o
dul
e
to
.
.
.
commit
|
commitdiff
|
tree
2017-09-22
Al
e
k
s
e
i
Iupi
n
ov
Template the CUD
A
texture setup code on raw value type T
commit
|
commitdiff
|
tree
2017-09-21
Aleksei Iupinov
El
i
m
inate unused Co
u
lomb correction table size c
o
ulomb_tab_size
commit
|
commitdiff
|
tree
2017-09-21
Al
e
ksei Iupinov
Elimin
a
te duplicate CUD
A
texture se
t
up code
commit
|
commitdiff
|
tree
2017-09-18
Ale
k
sei Iupinov
Ski
p
G
PU reallo
c
ation of an e
m
pt
y
non-loca
l
pairlist
commit
|
commitdiff
|
tree
2017-09-14
Aleksei Iup
i
nov
Fix
n
on-S
I
MD build failing
commit
|
commitdiff
|
tree
2017-09-12
Aleksei Iu
p
inov
P
r
event refe
r
e
nce XML
re
a
de
r
segfault on n
u
llptr err
o
r
.
.
.
commit
|
commitdiff
|
tree
2017-09-04
A
leksei Iupinov
Me
r
ge "Merge branch releas
e
-5-1 into
release
-
2016"
.
.
.
commit
|
commitdiff
|
tree
2017-08-31
A
l
e
k
s
e
i I
u
pinov
Brin
g
back space lost in
c
o
mmit e43
e
83bf
commit
|
commitdiff
|
tree
2017-08-29
Aleksei Iupinov
R
emove lef
t
over f
u
nction declaration
commit
|
commitdiff
|
tree
2017-08-29
Ale
k
sei Iupinov
Fix typo
commit
|
commitdiff
|
tree
2017-08-29
Alekse
i
Iup
i
nov
A
l
low pas
s
ing optional width argument into CUDA shuf
f
le
.
.
.
commit
|
commitdiff
|
tree
2017-08-29
Aleksei Iupinov
Adjust PME LJ so
l
ver te
s
t
input coefficient
commit
|
commitdiff
|
tree
2017-08-22
A
leks
e
i Iupinov
Separate PME
spread an
d
g
ather
w
allcycle co
u
nters
commit
|
commitdiff
|
tree
2017-08-21
Aleksei Iupinov
PME solving
tests
commit
|
commitdiff
|
tree
2017-08-17
Alekse
i
Iupinov
M
e
r
ge
"Merge b
r
anch release-5-1
i
nto
r
eleas
e
-2016"
.
.
.
commit
|
commitdiff
|
tree
2017-06-30
Aleksei Iupinov
Remove outda
t
ed cmake nv
c
c lo
g
ic
commit
|
commitdiff
|
tree
2017-06-12
Aleksei I
u
pinov
S
t
ore
a
physical node communicator i
n
t
_
co
m
mrec
commit
|
commitdiff
|
tree
2017-03-17
Aleksei Iupin
o
v
F
i
x
de
r
eferencin
g
nullptr in
P
M
E
sol
v
e work destru
c
tor
commit
|
commitdiff
|
tree
2017-03-03
Alekse
i
Iupin
o
v
Remove outdated
C
UD
A
ver
s
ion
check
commit
|
commitdiff
|
tree
2017-02-21
Aleksei Iupinov
R
emo
v
e unused functi
o
n cu_s
y
nc
h
stream_a
t
d
a
t()
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupin
o
v
Add initialization to
dvdlambd
a
in bonded forces test
s
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupino
v
Fix ty
p
o (
D
ihed
a
r
l -> Dihe
d
ral)
commit
|
commitdiff
|
tree
2017-02-08
Aleksei
I
upi
n
ov
PME force gathering test
s
commit
|
commitdiff
|
tree
2017-02-08
Aleksei
I
u
p
i
nov
Fix inva
l
id triclinic
b
ox in the P
M
E test d
a
ta
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iu
p
inov
PME spline computation and charg
e
sp
r
ead
i
n
g tests
commit
|
commitdiff
|
tree
2017-01-24
Al
e
ksei Iup
i
no
v
A
d
d
const qualifie
r
to
s
om
e
PME spread arguments
commit
|
commitdiff
|
tree
2017-01-19
Alek
s
ei
I
upinov
Sim
p
lify gmx_count_gpu_d
e
v_uniqu
e
(
)
commit
|
commitdiff
|
tree
2017-01-19
A
leksei Iupinov
PME B-Spline moduli
computation unit test
commit
|
commitdiff
|
tree
2017-01-05
Al
e
ksei Iupinov
Fix compila
t
ion with
C
MAKE_CXX_FLAGS="-Wall -W
e
rror"
commit
|
commitdiff
|
tree
2016-12-22
Aleksei Iupinov
Remove un
u
sed membe
r
t
hread_one from the PME spline
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Aleksei
I
upinov
Stop includin
g
paralle
l
_3dfft
.
h in headers
commit
|
commitdiff
|
tree
2016-12-01
Aleksei Iupino
v
Move GPU assignment f
u
nctions into
a
separate file
commit
|
commitdiff
|
tree
2016-11-21
Aleksei Iupin
o
v
Move hardcoded PME grid index
i
ng constants into
h
eader
commit
|
commitdiff
|
tree
2016-11-01
Aleksei Iupin
o
v
Remo
v
e imatrix
ty
p
e and related unuse
d
/err
o
neous code
commit
|
commitdiff
|
tree
2016-10-24
Aleksei
I
u
p
inov
Treat CUD
A
files
a
s
C++ during cppche
c
k
commit
|
commitdiff
|
tree
2016-10-10
Aleksei Iupinov
Fix t
r
iv
i
al PME
memory leaks
commit
|
commitdiff
|
tree
2016-09-15
Aleksei Iupinov
Mov
e
the PME Ewald coefficients to the PME
struct
u
re
commit
|
commitdiff
|
tree
2016-09-10
Ale
k
sei I
u
pinov
Fix PME
data d
e
s
t
ru
c
t
o
r
not b
e
ing called
commit
|
commitdiff
|
tree