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Avoid division by zero is pruning part calculation
2017-08-29
S
z
ilárd Páll
Avoid
division by zero is pr
u
ning part calculation
commit
|
commitdiff
|
tree
2017-08-21
S
zilárd Páll
Ad
d
OpenCL pruni
n
g kerne
l
s and
l
aun
c
h/t
i
ming
l
ogic
commit
|
commitdiff
|
tree
2017-08-18
Sz
i
lá
r
d Páll
Improv
e
awkwa
r
d
h
a
ndling of GMX_CUDA
_
TARGET* help
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Add CUDA
p
runing ke
r
nels a
n
d launch/ti
m
ing logic
commit
|
commitdiff
|
tree
2017-07-27
Szilárd
P
áll
In
f
orm
users abo
u
t the end
o
f run DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilá
r
d Páll
Add ARM
_
NEO
N
_ASIM
D
post-submit t
e
st
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
Re-enable
l
ost DD warning + mino
r
code moderniz
a
t
ion
commit
|
commitdiff
|
tree
2017-06-20
Szi
l
árd Páll
Re-e
n
able accidentally los
t
DD warnin
g
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
Re
f
act
o
ring + clarific
a
tion of DL
B
state handlin
g
commit
|
commitdiff
|
tree
2017-06-15
Szilár
d
P
á
ll
All
o
w
disabling the e
x
plicit us
e
o
f CUDA textures
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Pá
l
l
Suppress s
m
_2x deprecation warning with
C
U
DA
8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd Páll
A
d
d
CUDA 8
.
0 + SI
M
D pre-subm
i
t
test
commit
|
commitdiff
|
tree
2017-06-02
Szi
l
árd Páll
A
d
d ARM
_
N
EON post-sub
m
it test
commit
|
commitdiff
|
tree
2017-05-29
S
zilár
d
Páll
Qu
o
t
e
s are co
o
l,
typo-free ones are ev
e
n "cooler"
commit
|
commitdiff
|
tree
2017-05-23
Szilárd Pál
l
Add basic doxygen for
t
he Verlet nonbonded module
commit
|
commitdiff
|
tree
2017-03-29
Szi
l
árd Páll
R
efactor CUD
A
kernel use of tables
commit
|
commitdiff
|
tree
2017-03-29
Szilár
d
Páll
Add CUDA u
t
il function for c
o
n
s
tant loads
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Páll
Conditional
t
w
ea
k
in
the nonbonded GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilár
d
Páll
Al
l
ow bypa
s
sing Op
e
nC
L
dev
i
ce compa
t
ibi
l
ity check
commit
|
commitdiff
|
tree
2017-03-16
S
zilár
d
Páll
P
ri
n
t code of unknown Op
e
n
C
L
error
commit
|
commitdiff
|
tree
2017-03-09
Sz
i
l
árd Páll
Fix md
r
un hanging upon exit with sep PME ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Páll
Rem
o
ve un
u
sed arg
u
ment in GPU kern
e
ls
commit
|
commitdiff
|
tree
2016-12-09
S
z
ilá
r
d P
á
ll
Turn
off hwloc support when static
l
ib found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
Correct kerne
l
launch bounds for
C
UDA sm_60
commit
|
commitdiff
|
tree
2016-11-01
Szilá
r
d Páll
Merge "Merge branch relea
s
e-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd
P
ál
l
GPU-related additions
to th
e
install/user guid
e
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Páll
Ma
k
e -cl
-
fas
t
-rel
a
xed-mat
h
d
e
f
a
ult
commit
|
commitdiff
|
tree
2016-10-26
Szil
á
r
d Páll
Add GMX_DISA
B
LE_GPU_TIMING
e
n
v var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd P
á
ll
Correct kernel launch boun
d
s
f
o
r CU
D
A sm
_
60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd
P
áll
Make AS
A
N/
T
SAN/MSAN build t
y
pe
s
easier to discover
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Pá
l
l
Add PDF
m
et
a
data to t
h
e ma
n
u
al
commit
|
commitdiff
|
tree
2016-07-08
Szil
á
rd Páll
Us
e
r
guide clarifications
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Add user guide
info on
CUDA appl
i
cation
c
l
oc
k
s
commit
|
commitdiff
|
tree
2016-07-05
Szilár
d
Páll
D
ocument GMX_GPU_APPLICATI
O
N_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szi
l
árd Páll
Disa
b
le NVIDIA
J
I
T
cac
h
e with OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szil
á
rd Páll
F
ix CUDA
build with m
u
ltipl
e
compilation units
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
A
dd
s
u
pport fo
r
CUDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
S
zilárd P
á
ll
Add
e
nv
.
var
.
to enable Op
e
nCL caching
commit
|
commitdiff
|
tree
2016-06-02
S
z
ilárd Páll
Fix O
p
enCL bi
n
ary
c
ac
h
e
file
name generati
o
n
commit
|
commitdiff
|
tree
2016-05-05
S
z
ilárd
Páll
Rem
o
v
e CUD
A
h
ost co
m
piler
c
onsi
s
tency check
s
commit
|
commitdiff
|
tree
2016-04-28
Szilárd Páll
Workaround for gcc fa
l
se positive warning
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Páll
Fix multiple
M
PI ranks pe
r
node with
OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szilárd Páll
Fix OpenC
L
ass
e
rtion
commit
|
commitdiff
|
tree
2016-04-19
Szilárd Páll
Move out CUD
A
profile
r
triggers
fro
m
NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Sz
i
lárd Páll
Spel
l
ing fixes
commit
|
commitdiff
|
tree
2016-04-13
Szilárd Páll
Do not create
e
mpty
man/man
7
dir
e
ctory
commit
|
commitdiff
|
tree
2016-04-04
Szilárd Páll
Mark more var
i
ab
l
es as advanced
commit
|
commitdiff
|
tree
2016-03-31
Szil
á
rd Páll
ref
a
ctor C
U
D
A
text
u
re-based table initialization
commit
|
commitdiff
|
tree
2016-03-31
S
z
ilárd
Pá
l
l
Fix multiple tMP
I
ranks per Op
e
nCL d
e
vice
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Pá
l
l
LJ combi
n
ation rule kernels for
O
penCL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd P
á
ll
Re-ena
b
le i-atom type
l
ocal mem p
r
efetch i
n
Ope
n
CL
commit
|
commitdiff
|
tree
2016-03-30
Szilár
d
Pá
l
l
Describe AMD APPSDK 3
.
0 issues in the
guide
commit
|
commitdiff
|
tree
2016-03-17
Szil
á
rd P
á
ll
Fixed OpenCL e/fshift clear kernel
f
irs
t
in
v
oca
t
ion
commit
|
commitdiff
|
tree
2016-02-26
Szilárd Páll
Fix leftover load()
ca
l
ls
i
n
the simd util
h
eaders
commit
|
commitdiff
|
tree
2016-02-19
Sz
i
lárd P
á
ll
Fix OpenCL table
inter
p
ola
t
ions of Ewald
correction
commit
|
commitdiff
|
tree
2016-02-17
Szi
l
árd
P
á
l
l
r
e
i
n
t
rodu
c
e supercl int
e
raction
m
ask constant
commit
|
commitdiff
|
tree
2016-02-17
Szil
á
r
d Páll
cha
n
ge macros to constan
t
s in GPU code
commit
|
commitdiff
|
tree
2016-02-15
Szilárd Páll
Allow GMX_NB_MIN_CI=0 to b
e
pa
s
s
ed
commit
|
commitdiff
|
tree
2016-02-11
Szilárd
Páll
Re-
e
nable LJ-PME + Lorentz-B
e
rthelot on GPUs
commit
|
commitdiff
|
tree
2016-02-08
Szilárd Páll
Han
d
le uniformly GMX_OCL_NO
G
ENCACHE
commit
|
commitdiff
|
tree
2016-01-26
Szilárd Páll
GPU code
r
eorganizati
o
n an
d
t
weaks
commit
|
commitdiff
|
tree
2016-01-20
Szilárd Páll
Merge remote-track
i
n
g b
r
anch 'origin/release
-
5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
S
z
i
lárd Páll
sp
l
it NBNXN CUDA
k
ernel
s
int
o
four co
m
p
i
latio
n
u
nits
commit
|
commitdiff
|
tree
2015-10-15
Szilárd
Pá
l
l
Ad
d
CUDA nvcc >=7
.
0
s
upport
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Correct CUDA versio
n
co
m
parisons
commit
|
commitdiff
|
tree
2015-05-06
Szilárd
P
áll
Merge "Merge release
-
4-6 into
release-5-0" into release-
5
-0
commit
|
commitdiff
|
tree
2015-04-21
Szilárd Páll
Allow m
a
nually s
e
tting targe
t
GPU arc
h
itectures
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
define CUD
A
ve
r
sion and texobj sup
p
o
rt
i
n config
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilárd Pá
l
l
Add kernel and com
p
iler
s
uport for
C
C 3
.
7 devices
commit
|
commitdiff
|
tree
2014-11-17
Szil
á
rd Pá
l
l
Allow increasing CUDA
t
hread block
si
z
e
commit
|
commitdiff
|
tree
2014-11-17
Szilárd Páll
Add CUDA com
p
iler support for
C
C 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Szilárd
Páll
Sta
r
t nvprof profilin
g
at co
u
nt
e
r reset
commit
|
commitdiff
|
tree
2014-09-26
Szilárd P
á
ll
Fix incorrect a
s
ser
t
ion statement
commit
|
commitdiff
|
tree
2014-09-09
Szilárd Páll
Fix malformed CUDA versio
n
macro chec
k
commit
|
commitdiff
|
tree
2014-06-01
Szilá
r
d Páll
Add qu
o
te on the kT-kj/mol
c
on
v
ersion factor
commit
|
commitdiff
|
tree
2014-03-11
S
z
ilárd Páll
Bump
r
equired CUDA ve
r
sion to 4
.
0
commit
|
commitdiff
|
tree
2014-01-28
Sz
i
lárd Páll
clarified Ope
n
MP
-
related things i
n
mdr
u
n
help/ma
n
commit
|
commitdiff
|
tree
2013-11-19
Szilá
r
d Páll
Fix DD load balancing bug with G
P
U sha
r
ing
commit
|
commitdiff
|
tree
2013-05-30
Szilárd
P
á
l
l
fix unnecessary
switch to pol
l
ing G
P
U wait
commit
|
commitdiff
|
tree
2013-02-10
S
z
i
l
ár
d
P
áll
use legacy CUDA non-bonded kernels onl
y
on
Ferm
i
commit
|
commitdiff
|
tree
2013-01-18
Sz
i
l
árd Páll
fix
O
penM
P
dete
c
tion on Mac OS broken by a6fee0b
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
adde
d
missing cleanup o
f
some nbnxn_
c
u
da
d
a
t
a
commit
|
commitdiff
|
tree
2013-01-17
Sz
i
lárd Páll
Merge c
h
anges I930b316c,Iea4283e0,I103648f8 i
n
to release-4-
6
commit
|
commitdiff
|
tree
2013-01-17
Szi
l
árd Páll
u
s
e
t
he com
p
iler versio
n
p
ro
v
ided by CMake >=2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Pá
l
l
not
e
the reason
f
or auto-disa
b
ling
GPU support
i
n
C
M
ake
commit
|
commitdiff
|
tree
2013-01-17
Szilár
d
Pá
l
l
clarif
y
wording of GPU driver-related notes
commit
|
commitdiff
|
tree
2013-01-15
Szilárd P
á
ll
d
isable
O
p
enMP with all
O
S X gc
c
4
.
2-bas
e
d
c
ompiler
s
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Páll
M
erge "Avoid using
u
ndefine
d
CMak
e
variables" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Páll
Merg
e
"Removed orphan f
i
le" into
r
elease-4-
6
commit
|
commitdiff
|
tree
2012-12-17
Sz
i
lár
d
Páll
M
erge "reduced PL
I
NCS communication with H-
b
o
n
d constra
i
n
t
s
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Szilá
r
d Páll
Merge
chang
e
s I
9
b
865c4c,Ib
7
09290e into r
e
lease-
4
-6
commit
|
commitdiff
|
tree
2012-11-23
Szilárd Páll
Merge "Updates to CMak
e
treatme
n
t of Ope
n
MP" into releas
e
-4-6
commit
|
commitdiff
|
tree
2012-10-25
Szilá
r
d Páll
fix fa
l
se positive
g
cc 4
.
7
warning i
n
libxdr
f
commit
|
commitdiff
|
tree
2012-10-24
Szilárd
Páll
enable GMX_PREFER_STATIC_LIBS
CMake option on Ma
c
OS
X
commit
|
commitdiff
|
tree
2012-07-03
Szilárd Páll
Merge "Minor
form
a
tting and consistency chan
g
es to
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
S
z
ilárd Pál
l
Merge "Fix
C
lang 3
.
1 comp
i
le
e
r
r
o
r"
commit
|
commitdiff
|
tree
2012-04-26
Szilárd Páll
Merge "fixed initial
C
OM mo
t
ion removal with multiple
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
Szilár
d
Pá
l
l
Merge
c
hanges
I
f0c2f9d9,Ic2a8ad82 into
release-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd Páll
Merge "Append all ICC Performance fla
g
s only to R
e
lea
s
e
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd Pá
l
l
Me
r
g
e
"Merges
in
threading branch as on
e
squa
s
h
e
d commit
.
.
.
commit
|
commitdiff
|
tree
next