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Fix pinned memory status checker tests
2017-11-21
Aleks
e
i
Iupinov
F
i
x pinned memory status che
c
ker tests
commit
|
commitdiff
|
tree
2017-11-20
Berk Hess
P
r
e
vent
P
ME tunin
g
excess
i
ve grid
s
c
aling
commit
|
commitdiff
|
tree
2017-11-19
Mark Abraham
Fi
x
FindCUDA
.
c
m
ake for -Wund
e
f
commit
|
commitdiff
|
tree
2017-11-17
Al
e
k
s
ei Iu
p
inov
Ma
k
e gpu_utils
-
test build with GMX_
C
LANG_
C
U
D
A
commit
|
commitdiff
|
tree
2017-10-31
M
a
r
k Abraham
Update
t
reatment of GPU compatibil
i
ty data structure
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix n
s
t
list increase warning print
commit
|
commitdiff
|
tree
2017-10-30
Aleksei I
u
pinov
Use ne
w
/de
l
e
t
e
for gmx
_
p
me_t
commit
|
commitdiff
|
tree
2017-10-30
Ale
k
sei Iu
p
inov
S
i
mplify PME da
t
a
handling i
n
runner
commit
|
commitdiff
|
tree
2017-10-29
Aleks
e
i Iupinov
Make PME
tuning
l
ogic mo
r
e
readable
commit
|
commitdiff
|
tree
2017-10-27
A
l
eksei I
u
pinov
Replace a few as
s
erts with G
M
X_ASSE
R
T's
commit
|
commitdiff
|
tree
2017-10-27
A
leksei
I
upi
n
ov
Remove
def
u
nct
P
M
E initial
i
z
a
tion error cod
e
retu
r
n
commit
|
commitdiff
|
tree
2017-10-26
Mark Abr
a
ham
M
ake release matri
x
w
o
rk again
commit
|
commitdiff
|
tree
2017-10-24
Aleksei Iu
p
inov
R
e
m
ove
d
u
p
l
i
cate/outdat
e
d functi
o
n declaration
commit
|
commitdiff
|
tree
2017-10-23
Aleksei I
u
pin
o
v
Co
r
r
ect
th
e
p
a
ge allo
c
at
o
r descript
i
on
commit
|
commitdiff
|
tree
2017-10-23
Szilárd
Pál
l
Eliminate s
o
me
O
C
L
/CUDA code
c
ode dupli
c
a
t
ion
commit
|
commitdiff
|
tree
2017-10-22
Aleksei Iupinov
Change PME GPU gath
e
r
r
eduction
a
rgu
m
ent from
b
o
o
l
ean
.
.
.
commit
|
commitdiff
|
tree
2017-10-21
A
l
ek
s
ei Iup
i
nov
Add calls to
the PME GPU stages
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Remove
u
nised
O
penCL debuggi
n
g
helpers
commit
|
commitdiff
|
tree
2017-10-12
Aleksei
Iupin
o
v
Remove use
l
ess extern CUDA texture re
f
erence declar
a
tio
n
s
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
CUDA
9
/Volt
a
suppor
t
for
P
ME
commit
|
commitdiff
|
tree
2017-10-11
A
lek
s
ei Iupinov
Dro
p
NB_ from
G
MX_CUD
A
_NB
_
S
I
NGLE_CO
M
PILATION_UNIT cm
a
ke
.
.
.
commit
|
commitdiff
|
tree
2017-10-09
Aleksei Iupi
n
ov
Remo
v
e some
u
nnecessary inclu
d
es from PME
commit
|
commitdiff
|
tree
2017-10-04
Al
e
k
sei
I
upin
o
v
Remove GPU timing f
u
nctions superseded by GpuReg
i
onTim
e
r
commit
|
commitdiff
|
tree
2017-10-03
Szil
á
r
d Pá
l
l
Move Ewald spli
t
ting-related code to ewald-utils
commit
|
commitdiff
|
tree
2017-10-03
Aleksei
Iupinov
Bri
n
g CUDA tex
t
u
r
e
getters do
c
umentatio
n
u
p
-to-date
commit
|
commitdiff
|
tree
2017-10-03
A
l
eksei Iupinov
Add
Wi
n
API page si
z
e quer
y
for allocator pur
p
oses
commit
|
commitdiff
|
tree
2017-09-22
A
leksei
I
upinov
Templa
t
e
the CUDA
t
e
xture setup
code on raw value type T
commit
|
commitdiff
|
tree
2017-09-21
Aleksei Iupinov
Elimina
t
e
unuse
d
Co
u
lomb correctio
n
table size co
u
l
omb_tab_size
commit
|
commitdiff
|
tree
2017-09-21
Aleksei Iupinov
Eliminate duplicate CUDA texture setup co
d
e
commit
|
commitdiff
|
tree
2017-09-19
Roland Schulz
ICC: Disable include path war
n
ing
commit
|
commitdiff
|
tree
2017-09-19
M
ark Abra
h
am
Update testing m
a
trice
s
t
o tes
t
with (latest)
i
cc-18
commit
|
commitdiff
|
tree
2017-09-12
A
l
eksei Iupinov
Pr
e
ven
t
r
e
ference XML read
e
r segfault on nul
l
ptr error
.
.
.
commit
|
commitdiff
|
tree
2017-09-12
Berk Hess
Fix exce
p
tion i
n
SIM
D
L
J PME s
o
lve
commit
|
commitdiff
|
tree
2017-09-08
R
ol
a
nd Schulz
Fix compiler warning
commit
|
commitdiff
|
tree
2017-09-04
Aleksei Iupinov
M
e
rge "M
e
rg
e
b
r
a
nc
h
relea
s
e-5-1 into rel
e
as
e
-2016"
.
.
.
commit
|
commitdiff
|
tree
2017-08-31
A
l
e
ksei Iupino
v
Bring back space lost in com
m
i
t
e
43e83bf
commit
|
commitdiff
|
tree
2017-08-29
Aleksei Iupinov
Allow passin
g
o
p
t
ional widt
h
argumen
t
into CUDA shuff
l
e
.
.
.
commit
|
commitdiff
|
tree
2017-08-28
B
erk Hess
Avo
i
d b
o
nd
e
d forces
l
oops/
t
imers o
n
inputs with
n
o
.
.
.
commit
|
commitdiff
|
tree
2017-08-21
Aleksei
I
upinov
PM
E
s
olvin
g
t
ests
commit
|
commitdiff
|
tree
2017-08-17
Alek
s
ei Iu
p
inov
Merge "Merge branch release
-
5-1 into re
l
ea
s
e-2
0
16"
.
.
.
commit
|
commitdiff
|
tree
2017-07-06
Mark Ab
r
aha
m
Simplify gmx_gpu_
o
pt_t
commit
|
commitdiff
|
tree
2017-07-03
Berk Hess
Remo
v
e gmx_co
n
stexpr
commit
|
commitdiff
|
tree
2017-06-30
Al
e
k
s
ei
I
upinov
Re
m
ove
out
d
ated cmake nvcc logi
c
commit
|
commitdiff
|
tree
2017-06-30
M
.
E
ric
I
rrgan
g
Mark
u
n
modi
f
ied input param
e
te
r
as
c
onst
.
commit
|
commitdiff
|
tree
2017-06-07
V
edran Mil
e
tić
Expa
n
d
Performan
c
e section of the us
e
r
guide
commit
|
commitdiff
|
tree
2017-06-07
Szil
á
r
d
P
áll
S
u
pp
r
ess sm
_
2x
depr
e
c
a
tion warning wit
h
CUDA
8
.
0
commit
|
commitdiff
|
tree
2017-04-18
Berk H
e
s
s
S
uppress two com
p
iler warnings
commit
|
commitdiff
|
tree
2017-04-06
T
e
emu Murtola
Fix
m
emory access is
s
ues in
gmx
solvate
commit
|
commitdiff
|
tree
2017-04-06
Teemu Mur
t
ola
Consi
s
t
e
nt naming for
gmxana
t
ests
commit
|
commitdiff
|
tree
2017-04-04
Teemu Murt
o
la
Utility functions for formatting str
i
ng
values
commit
|
commitdiff
|
tree
2017-03-29
Mark A
b
raham
Fix para
m
e
t
er de
s
cription for dihedral_restraints
commit
|
commitdiff
|
tree
2017-03-29
Szilárd
P
á
ll
A
dd CUDA util function
f
or constant l
o
ad
s
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Páll
Conditi
o
nal twea
k
i
n
t
h
e
nonbonded
GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
A
leksei Iupinov
Fix dereferencin
g
n
ullptr
i
n
P
ME so
l
ve work
d
estruct
o
r
commit
|
commitdiff
|
tree
2017-03-09
Mark Ab
r
aham
Refactor GPU selection handling
commit
|
commitdiff
|
tree
2017-02-21
Aleksei Iup
i
n
o
v
R
emove unused
function cu_synchstream_atdat()
commit
|
commitdiff
|
tree
2017-02-09
Aleksei I
u
pinov
Fix
typo (Dih
e
d
a
r
l -> Dihedral)
commit
|
commitdiff
|
tree
2017-02-02
Berk Hess
Fix array
o
f c
o
mplex i
n
cr
o
ss_corr
commit
|
commitdiff
|
tree
2017-01-19
Aleksei
I
upinov
S
i
mplify gmx_count_gpu_dev_uniqu
e
()
commit
|
commitdiff
|
tree
2017-01-05
Aleksei Iupin
o
v
Fix co
m
pila
t
i
o
n
wi
t
h CMAKE_CX
X
_
FLAGS="-Wall -Werr
o
r"
commit
|
commitdiff
|
tree
2016-12-22
Aleksei Iupi
n
ov
Remove unu
s
ed member thread_one
from the PME
spline
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Ale
k
sei Iupinov
Stop i
n
cluding parall
e
l_3df
f
t
.
h
in headers
commit
|
commitdiff
|
tree
2016-10-24
Ale
k
s
ei Iupinov
Treat
CUDA f
i
les as C++ du
r
i
ng cppcheck
commit
|
commitdiff
|
tree