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Minor refactoring of CUDA non-bonded kernels
2017-09-18
Szi
l
árd Páll
Minor r
e
fact
o
ring of CUDA non-bond
e
d
kernels
commit
|
commitdiff
|
tree
2017-09-14
Szi
l
ár
d
Páll
CUDA
9
/
Volta
s
u
ppor
t
for
the pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
S
z
ilárd Páll
Mer
g
e branch 'release-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilár
d
P
áll
NVIDIA Vol
t
a pe
r
forman
c
e twea
k
s
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
F
ix
t
ypo and t
w
eak
e
nv v
a
r docs
commit
|
commitdiff
|
tree
2017-08-29
Szil
á
rd Pál
l
Avoid
divi
s
ion
b
y ze
r
o is pru
n
ing pa
r
t cal
c
ula
t
ion
commit
|
commitdiff
|
tree
2017-08-21
Szilárd Páll
A
d
d
O
pe
n
CL pr
u
ning kernels and launch/timing log
i
c
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Impro
v
e a
w
kward handling of GMX_C
U
DA_TA
R
GET
*
help
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Add CUDA p
r
uning
k
ernels a
n
d laun
c
h/timing logic
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Páll
Infor
m
users a
b
out the end of r
u
n DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilár
d
Páll
Add
A
RM_NEON_ASI
M
D
post-
s
ubmit test
commit
|
commitdiff
|
tree
2017-06-21
S
z
ilárd Páll
Re
-
enable los
t
DD warning +
minor code modernization
commit
|
commitdiff
|
tree
2017-06-20
Szil
á
rd Pál
l
Re-enable accid
e
ntally lost
DD
warning
commit
|
commitdiff
|
tree
2017-06-20
Szilár
d
Páll
Refactoring
+ clarificatio
n
of DLB s
t
a
t
e
h
andling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
Allow disabli
n
g the explicit use of CUDA textures
commit
|
commitdiff
|
tree
2017-06-07
S
z
ilárd Pál
l
Suppress
s
m
_
2x deprecati
o
n
warning
with CUDA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Sz
i
lárd Páll
Add
CUDA 8
.
0 + SI
M
D pre-
s
ubmit test
commit
|
commitdiff
|
tree
2017-06-02
Szilárd Páll
Add
A
RM_NEON post-
s
ubmit test
commit
|
commitdiff
|
tree
2017-05-29
Sz
i
l
árd Páll
Quot
e
s are cool, typo-fr
e
e on
e
s
are eve
n
"c
o
oler"
commit
|
commitdiff
|
tree
2017-05-23
Szilárd Páll
A
d
d
bas
i
c do
x
y
gen for the Verlet
nonb
o
nded
m
odul
e
commit
|
commitdiff
|
tree
2017-03-29
Szilárd P
á
ll
Refactor CUDA k
e
r
n
el
u
s
e of tabl
e
s
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Add CUDA ut
i
l functio
n
for
constant
l
oads
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Páll
C
o
nditional twe
a
k
in the nonbonded GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Sz
i
lá
r
d Páll
Allow
b
ypassing OpenCL device com
p
atibi
l
i
t
y
c
h
e
c
k
commit
|
commitdiff
|
tree
2017-03-16
Sz
i
lárd Páll
Print code
o
f u
n
known Op
e
n
C
L er
r
or
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix mdrun han
g
ing upon
e
x
it with sep P
M
E
ran
k
s
commit
|
commitdiff
|
tree
2017-01-24
Szi
l
á
r
d
Páll
Remo
v
e
unused a
r
g
um
e
nt
in GPU
kernels
commit
|
commitdiff
|
tree
2016-12-09
Szilá
r
d
Pá
l
l
Turn off hwloc s
u
pport
when static
l
ib foun
d
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
Correct ker
n
el
l
aunch bounds fo
r
CUDA
sm
_
60
commit
|
commitdiff
|
tree
2016-11-01
Szi
l
árd Páll
Me
r
g
e "Merge branch rel
e
a
s
e-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd Páll
GP
U
-
rela
t
e
d
additions to th
e
insta
l
l
/user guide
commit
|
commitdiff
|
tree
2016-10-27
Szi
l
á
rd Pál
l
Make -cl-fast
-
rel
a
xed-math de
f
ault
commit
|
commitdiff
|
tree
2016-10-26
Szilárd P
á
ll
A
d
d G
M
X
_DISABLE_GPU_TIMING env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
Correct kernel launch
bounds
f
or
CUDA
s
m_60
commit
|
commitdiff
|
tree
2016-08-27
S
z
ilárd Páll
Make ASAN/TSAN/M
S
AN
b
u
i
ld
t
y
p
es
e
asier to discover
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Pá
l
l
Add PDF metad
a
ta to the ma
n
ual
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
U
ser guide clarificati
o
ns
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Pál
l
A
d
d user guide info on
CUDA applicatio
n
clocks
commit
|
commitdiff
|
tree
2016-07-05
S
z
il
á
r
d
Páll
Do
c
ument GMX_GPU_AP
P
LICATION_
C
LOCKS
commit
|
commitdiff
|
tree
2016-07-04
S
z
ilárd
P
áll
Disable NVIDIA JIT cac
h
e with OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Páll
F
ix CUDA build wit
h
multiple
c
ompilation units
commit
|
commitdiff
|
tree
2016-06-05
S
z
il
á
rd Páll
A
dd support fo
r
CUDA CC 6
.
0
/
6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szil
á
rd Páll
A
d
d
e
n
v
.
va
r
.
to enable O
p
enCL caching
commit
|
commitdiff
|
tree
2016-06-02
S
z
ilárd P
á
ll
Fix OpenCL binary cach
e
file
n
ame generation
commit
|
commitdiff
|
tree
2016-05-05
S
z
ilárd
P
áll
Remove CUDA hos
t
compiler consiste
n
cy check
s
commit
|
commitdiff
|
tree
2016-04-28
Szilárd P
á
ll
W
o
rkaround fo
r
gc
c
false posit
i
ve warni
n
g
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Pál
l
Fix multiple MPI ranks per node with
O
penCL
commit
|
commitdiff
|
tree
2016-04-26
Szilárd
P
áll
Fix
OpenCL
assertio
n
commit
|
commitdiff
|
tree
2016-04-19
Szi
l
árd Páll
Move out CUDA profile
r
t
r
iggers fro
m
NBN
X
N
commit
|
commitdiff
|
tree
2016-04-13
S
z
ilárd Pá
l
l
Spelling
f
i
xes
commit
|
commitdiff
|
tree
2016-04-13
Szilárd
Páll
Do not c
r
eate
em
p
t
y man
/
man7 director
y
commit
|
commitdiff
|
tree
2016-04-04
Szil
á
rd Páll
Mark mo
r
e
va
r
iab
l
es
as advanced
commit
|
commitdiff
|
tree
2016-03-31
Sz
i
lárd Páll
refactor CUDA texture-based
tab
l
e
i
n
it
i
alization
commit
|
commitdiff
|
tree
2016-03-31
Szilard Pall
avoi
d
CPU o
v
ersubs
c
ription with
G
PUs
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
F
ix multiple t
M
P
I ranks per Op
e
nCL dev
i
ce
commit
|
commitdiff
|
tree
2016-03-30
Szil
á
rd
P
ál
l
L
J co
m
bination rule kerne
l
s
f
or Ope
n
CL
commit
|
commitdiff
|
tree
2016-03-30
Szil
á
rd
P
áll
Re-enable i-atom type local mem p
r
efetch in OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Páll
Descri
b
e AMD APPSDK
3
.
0 issues in the guide
commit
|
commitdiff
|
tree
2016-03-17
Szilárd Pá
l
l
Fixed
OpenCL e
/
fs
h
ift cl
e
a
r
kern
e
l first invo
c
ation
commit
|
commitdiff
|
tree
2016-02-26
Szilárd Páll
Fix leftover l
o
ad()
calls in the sim
d
util head
e
rs
commit
|
commitdiff
|
tree
2016-02-19
Szilá
r
d
P
áll
Fix OpenCL
ta
b
le
i
nter
p
olations of Ewa
l
d
cor
r
ection
commit
|
commitdiff
|
tree
2016-02-17
Szil
á
rd Páll
reintroduc
e
sup
e
rcl interaction mask constant
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
c
hange macros to co
n
stants i
n
GPU code
commit
|
commitdiff
|
tree
2016-02-15
Szilárd P
á
l
l
Allow GM
X
_NB_MIN_CI
=
0
t
o
be pa
s
sed
commit
|
commitdiff
|
tree
2016-02-11
Szilár
d
P
áll
Re-enable LJ-
P
ME + Loren
t
z-Be
r
thelot on GP
U
s
commit
|
commitdiff
|
tree
2016-02-08
S
zi
l
árd Páll
Handle uniformly GMX_
O
CL_
N
OGENCACHE
commit
|
commitdiff
|
tree
2016-02-06
Szilard P
a
ll
Use cud
a
Launc
h
Kernel with
CUDA 7
.
0
a
n
d
later
commit
|
commitdiff
|
tree
2016-01-26
Szilárd
P
áll
G
P
U
c
o
d
e reorgani
z
ation and tweaks
commit
|
commitdiff
|
tree
2016-01-20
Szilárd Páll
Merge
r
emote-tracking
branch 'o
r
igin/r
e
lease
-
5
-
1' i
n
t
o
.
.
.
commit
|
commitdiff
|
tree
2016-01-05
S
z
il
a
rd P
a
ll
remove d
u
plicat
e
macros and enable Wu
n
def
i
n CUDA
commit
|
commitdiff
|
tree
2016-01-01
Szilard
P
all
Fix
x
l
c
+
C
UDA wor
k
around
i
n
gmxMana
g
eNvccConfig
commit
|
commitdiff
|
tree
2015-12-26
Szilard Pall
Improve documentat
i
o
n
on OpenCL
issue w
i
th NVIDIA
commit
|
commitdiff
|
tree
2015-12-13
Sz
i
lard Pa
l
l
O
p
enCL code
cleanup
commit
|
commitdiff
|
tree
2015-11-04
Szilard Pall
T
w
ea
k
NVML-related messages
commit
|
commitdiff
|
tree
2015-11-02
Sz
i
lard Pal
l
Fix signal type
commit
|
commitdiff
|
tree
2015-11-01
Szi
l
a
rd Pall
Fix b
u
g in
c
y
c
l
e s
u
bc
o
u
n
ter m
a
nageme
n
t
commit
|
commitdiff
|
tree
2015-10-24
S
zil
a
rd Pall
Avoid
u
sing incompati
b
le NVML version
commit
|
commitdiff
|
tree
2015-10-22
Szilard Pall
Quiet FindNVM
L
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Add CU
D
A
nvcc >=7
.
0 su
p
port
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Corr
e
ct C
U
DA ve
r
sio
n
comparis
o
ns
commit
|
commitdiff
|
tree
2015-10-15
Szilard Pall
Fix reset error message
commit
|
commitdiff
|
tree
2015-09-27
Szila
r
d
P
a
l
l
Tweak the CUDA GPU shared mem/L1
c
onfig
commit
|
commitdiff
|
tree
2015-09-17
Szilard Pal
l
F
ix bro
k
en OpenCL det
e
ction
commit
|
commitdiff
|
tree
2015-09-16
S
z
ila
r
d
P
all
Fix OpenCL bu
i
ld
commit
|
commitdiff
|
tree
2015-08-13
S
z
i
lard Pall
add
c
l
F
l
ush to kick of OpenCL work
commit
|
commitdiff
|
tree
2015-07-02
Szilard Pall
F
ix OpenCL compilation erro
r
s
.
commit
|
commitdiff
|
tree
2015-06-29
Szil
a
rd Pall
Fix CUDA
i
nter-stream synchr
o
nization issue
commit
|
commitdiff
|
tree
2015-06-27
S
zilard Pall
Fix CUDA
a
rchitecture dep
e
ndent is
s
ues
commit
|
commitdiff
|
tree
2015-06-25
S
z
ilard P
a
l
l
Add missing
macr
o
undef in CUDA NB kernel
commit
|
commitdiff
|
tree
2015-06-21
S
zilard Pall
fix CPU
c
ore o
v
e
r
subscripti
o
n detectio
n
commit
|
commitdiff
|
tree
2015-06-17
S
z
ilard Pall
f
ix minor CUDA
NB kerne
l
pe
r
formance regression
commit
|
commitdiff
|
tree
2015-06-08
Szilard Pall
add last two GRO
M
ACS paper ci
t
ation
s
commit
|
commitdiff
|
tree
2015-06-06
S
z
ilard Pall
O
pt
i
mize atomic accumul
a
ti
o
n in
CUDA NB ker
n
el
commit
|
commitdiff
|
tree
2015-05-15
S
z
ilard Pall
Assert the size of non-bonded GPU work un
i
ts
commit
|
commitdiff
|
tree
2015-05-14
S
zilard
Pall
Merg
e
r
elease-
4
-6 into releas
e
-
5-0
commit
|
commitdiff
|
tree
2015-05-13
Szila
r
d
Pall
Fix auto-down
l
oaded regression
t
est exe
c
ution
commit
|
commitdiff
|
tree
2015-05-06
Sz
i
lárd Páll
Merge "
M
erge re
l
eas
e
-4-6 into release-5-0" into r
e
lease-5-0
commit
|
commitdiff
|
tree
2015-01-16
Sz
i
lard Pall
I
m
p
rove and clarify
m
drun beh
a
vior
wi
t
h nsteps<
0
commit
|
commitdiff
|
tree
2014-12-10
S
z
ilard Pall
F
ix nstep command
line
o
verride print
commit
|
commitdiff
|
tree
2014-06-01
Szilárd Páll
Add q
u
ote on
the kT
-
kj/mol conve
r
sion fa
c
t
or
commit
|
commitdiff
|
tree
next