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Detect AVX-512 FMA units to choose best SIMD
2017-11-23
Szi
l
árd Páll
Mo
v
e GPU FFT/gather launch af
t
e
r
GPU nonbondeds
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
lár
d
Páll
Use
-
mavx
2
-mfma instead of -march with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
lárd Pá
l
l
Merge common n
b
n
x
n
C
UDA/OpenCL GPU
wa
i
t
c
ode-path
s
commit
|
commitdiff
|
tree
2017-11-07
Szilár
d
Pál
l
A
d
d wallc
y
cle t
i
mer for the PME
G
PU F
reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Split off nbnxn GPU ti
m
ing and s
t
aging redu
c
t
ion
commit
|
commitdiff
|
tree
2017-11-07
Szi
l
árd Páll
Deduplicate CUDA and O
p
enCL timer struct
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
F
i
x nstli
s
t incre
a
se wa
r
n
i
ng print
commit
|
commitdiff
|
tree
2017-10-31
Szilár
d
Páll
Check CU
D
A availab
l
e/compil
e
d code compati
b
ility
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
F
i
x
nstlist increase warning print
commit
|
commitdiff
|
tree
2017-10-26
S
zilárd Páll
Re
o
rganize PME GPU launc
h
commit
|
commitdiff
|
tree
2017-10-23
S
zilárd
Páll
Elimi
n
ate s
o
me
OCL/
C
UDA code
c
ode duplic
a
tion
commit
|
commitdiff
|
tree
2017-10-19
S
zilárd Páll
Disable OpenMP with c
l
an
g
3
.
4 p
o
st-
s
ubmi
t
config
commit
|
commitdiff
|
tree
2017-10-19
Szilárd
Pál
l
Remo
v
e unis
e
d OpenCL
d
eb
u
gging help
e
rs
commit
|
commitdiff
|
tree
2017-10-12
S
zilárd
Páll
Remo
v
e
t
he
si
z
e_
t
from
t
he PME gather CUDA kenels
commit
|
commitdiff
|
tree
2017-10-05
Sz
i
lárd Páll
Refactor scale
d
bo
x
handling for
P
ME/Ewal
d
commit
|
commitdiff
|
tree
2017-10-05
Szil
á
rd
Páll
Fix
pair list array assertion
commit
|
commitdiff
|
tree
2017-10-05
Szil
á
rd
P
áll
A
v
o
id -Wmissing-prototypes warnings in cl
a
ng CUDA builds
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
Move
Ewald sp
l
itting-relate
d
co
d
e
to ewald-utils
commit
|
commitdiff
|
tree
2017-10-03
Sz
i
lárd Páll
En
a
ble c
o
mpiling
C
UDA
d
e
vice code with clang
commit
|
commitdiff
|
tree
2017-09-28
Szilárd Pá
l
l
C
o
rrect misplaced CUD
A
timing ev
e
nt record
commit
|
commitdiff
|
tree
2017-09-26
Szilár
d
Pál
l
Rename
G
P
U
launch/wait
c
ycle counters
commit
|
commitdiff
|
tree
2017-09-18
Szilár
d
Páll
M
inor
refactoring of CUDA non-bon
d
ed kernel
s
commit
|
commitdiff
|
tree
2017-09-14
S
zilárd Páll
CU
D
A 9/V
o
l
t
a s
u
pport f
o
r the p
r
uning
kernel
commit
|
commitdiff
|
tree
2017-09-12
Sz
i
lárd Páll
Merge branc
h
're
l
ease-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd Páll
NVIDIA Volta perform
a
nce
t
weaks
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Pá
l
l
Fix typo and
t
weak
env var docs
commit
|
commitdiff
|
tree
2017-08-29
S
z
i
l
árd Páll
A
v
oid division by zero is prun
i
ng p
a
rt
calcu
l
ation
commit
|
commitdiff
|
tree
2017-08-21
Szilárd
P
á
ll
A
d
d Open
C
L p
r
uning k
e
rn
e
l
s
and
l
aunch/t
i
ming logi
c
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Improve awkwa
r
d handling o
f
GMX_C
U
DA_T
A
RGE
T
* help
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Add CUDA pruning kernel
s
an
d
launch/ti
m
ing
logic
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Páll
Inform users about t
h
e
e
n
d o
f
r
un DLB s
t
ate
commit
|
commitdiff
|
tree
2017-06-26
S
z
i
lárd Páll
Add ARM
_
NEON_ASIMD post-s
u
bmit t
e
s
t
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Pál
l
Re-enable los
t
D
D
w
a
rning + minor code
m
od
e
rnization
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
R
e
-
e
nable accident
a
l
l
y lost DD
w
arning
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
Ref
a
ctor
i
ng + cl
a
rif
i
cation of DLB
s
tat
e
handling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
Allow
d
i
s
a
b
ling the explicit use
o
f CUDA
textures
commit
|
commitdiff
|
tree
2017-06-07
Szil
á
rd P
á
l
l
S
up
p
ress
s
m_2x
depre
c
ation w
a
rning
wi
t
h CUDA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd Pál
l
Add
C
UDA 8
.
0
+ SIMD pre-submit test
commit
|
commitdiff
|
tree
2017-06-02
Szilárd Páll
Add
A
R
M_
N
EON post-submit test
commit
|
commitdiff
|
tree
2017-05-29
Szilárd Páll
Quot
e
s
ar
e
cool, typo-free ones are ev
e
n
"coo
l
e
r"
commit
|
commitdiff
|
tree
2017-05-23
Szilárd Páll
A
d
d ba
s
ic doxygen for th
e
Verle
t
n
o
nbonded module
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Refactor
CUDA
k
ern
e
l u
s
e o
f
tables
commit
|
commitdiff
|
tree
2017-03-29
S
zilá
r
d
Páll
A
d
d
CUDA util f
u
nc
t
ion for
constant loads
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Pál
l
Condit
i
onal tweak in t
h
e non
b
on
d
ed GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
S
zilárd Páll
Allow bypa
s
si
n
g OpenCL device compatib
i
lity
c
heck
commit
|
commitdiff
|
tree
2017-03-16
Sz
i
lárd Páll
Pr
i
nt
code of unknown OpenCL error
commit
|
commitdiff
|
tree
2017-03-09
Szilá
r
d Páll
Fix mdrun hanging upo
n
exit wi
t
h sep PM
E
ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd
Páll
Rem
o
ve
u
n
used argu
m
ent in
G
PU
kernels
commit
|
commitdiff
|
tree
2016-12-09
Szilárd Pál
l
T
u
rn o
f
f h
w
loc suppo
r
t
w
h
e
n st
a
tic l
i
b found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
Cor
r
e
c
t
kernel lau
n
ch bo
u
n
ds for CU
D
A sm_60
commit
|
commitdiff
|
tree
2016-11-01
S
z
ilárd
P
á
ll
Merge "
M
erg
e
bran
c
h release-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szil
á
rd Páll
GPU-
r
elated a
d
d
i
tion
s
t
o t
h
e in
s
tall/user g
u
ide
commit
|
commitdiff
|
tree
2016-10-27
Szil
á
rd Páll
Make -cl-f
a
st-relaxed-math defau
l
t
commit
|
commitdiff
|
tree
2016-10-26
Szilárd
P
á
l
l
A
d
d GMX_DISABLE
_
GPU_TIMING env var
commit
|
commitdiff
|
tree
2016-10-09
S
z
ilárd
P
áll
Corre
c
t ke
r
nel
launch bounds
f
o
r
CUDA sm_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Pál
l
Make
A
SAN/TSAN/MSAN build types easier to discover
commit
|
commitdiff
|
tree
2016-07-08
Szi
l
árd
P
á
ll
Add PDF metadata to
t
he man
u
al
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
User gu
i
de cl
a
rifications
commit
|
commitdiff
|
tree
2016-07-07
Szi
l
á
rd Páll
Add user guide info
o
n CUD
A
application
c
lo
c
ks
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Pál
l
Document
G
MX_GPU_APPLICATION_CLO
C
K
S
commit
|
commitdiff
|
tree
2016-07-04
S
z
ilárd Páll
Disable NVIDIA JIT cache with OpenC
L
commit
|
commitdiff
|
tree
2016-06-14
S
zi
l
árd Páll
F
i
x
CUDA build with mult
i
ple
c
omp
i
lation uni
t
s
commit
|
commitdiff
|
tree
2016-06-05
Sz
i
lárd P
á
ll
Add su
p
port for CUDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
S
zilá
r
d
Páll
A
d
d en
v
.
var
.
to enabl
e
OpenCL caching
commit
|
commitdiff
|
tree
2016-06-02
S
z
ilárd Pál
l
F
i
x
OpenCL binary cache file na
m
e generation
commit
|
commitdiff
|
tree
2016-05-05
S
z
ilárd Pá
l
l
Re
m
ove CUDA h
o
st
c
ompil
e
r consistency checks
commit
|
commitdiff
|
tree
2016-04-28
Szil
á
rd P
á
ll
Workaround for
g
cc fa
l
se p
o
s
i
t
i
v
e warning
commit
|
commitdiff
|
tree
2016-04-27
S
zilá
r
d
Pá
l
l
Fix m
u
lt
i
ple MPI ranks per node
w
i
t
h OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szil
á
rd Páll
Fix OpenCL as
s
e
r
tion
commit
|
commitdiff
|
tree
2016-04-19
Szilárd Pá
l
l
Move out
CUDA prof
i
ler tr
i
ggers from NBN
X
N
commit
|
commitdiff
|
tree
2016-04-13
Sz
i
lá
r
d Páll
Spelling fixes
commit
|
commitdiff
|
tree
2016-04-13
Szil
á
rd Páll
Do not
c
re
a
te empty
man/m
a
n
7
d
i
r
e
ct
o
ry
commit
|
commitdiff
|
tree
2016-04-04
Szilárd Páll
Mark more variabl
e
s as advanced
commit
|
commitdiff
|
tree
2016-03-31
Szilá
r
d Páll
refactor
CUDA texture-based
t
able
i
nit
i
a
lizatio
n
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Pá
l
l
Fix multiple t
M
PI ranks per Op
e
nCL device
commit
|
commitdiff
|
tree
2016-03-30
Szilár
d
Páll
LJ combination ru
l
e kern
e
ls for OpenCL
commit
|
commitdiff
|
tree
2016-03-30
S
z
ilárd Páll
Re
-
enable i-atom type
l
ocal mem
prefetch in O
p
en
C
L
commit
|
commitdiff
|
tree
2016-03-30
Szilárd P
á
ll
Describe AMD APPSDK 3
.
0 issues in
the guide
commit
|
commitdiff
|
tree
2016-03-17
S
z
ilárd Páll
Fixed OpenCL e/
f
shift cle
a
r kernel f
i
rst invoc
a
tion
commit
|
commitdiff
|
tree
2016-02-26
Szilár
d
Páll
Fix leftover l
o
a
d
() c
a
lls in t
h
e simd util headers
commit
|
commitdiff
|
tree
2016-02-19
Szilá
r
d Páll
Fix
OpenCL table inter
p
olations of Ew
a
ld correction
commit
|
commitdiff
|
tree
2016-02-17
S
zilá
r
d
Páll
r
e
int
r
od
u
ce sup
e
r
cl i
n
t
eract
i
on mask constant
commit
|
commitdiff
|
tree
2016-02-17
Szilárd
P
á
ll
change macros to constants in GPU code
commit
|
commitdiff
|
tree
2016-02-15
Szilárd
P
áll
Allow
G
M
X
_NB_MIN_CI=0 to be pa
s
sed
commit
|
commitdiff
|
tree
2016-02-11
Sz
i
lárd
Páll
Re-enable LJ-P
M
E
+
Lorentz
-
Berthelo
t
on GPUs
commit
|
commitdiff
|
tree
2016-02-08
Szilárd Pá
l
l
H
a
n
d
l
e uniformly
G
MX_OCL_NO
G
ENCACHE
commit
|
commitdiff
|
tree
2016-01-26
Szilárd Páll
GP
U
code reorg
a
n
i
zation and t
w
eaks
commit
|
commitdiff
|
tree
2016-01-20
Sz
i
l
árd Páll
Merge
r
e
m
ote-tr
a
cking bran
c
h 'origin/release-5-1' int
o
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
S
z
i
lár
d
Páll
spl
i
t NBNXN CUDA ke
r
nels into four compil
a
tio
n
units
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Add
C
UDA nvcc >
=
7
.
0 support
commit
|
commitdiff
|
tree
2015-10-15
Szilárd
Páll
C
o
r
rect C
U
DA
v
ersion
c
ompa
r
i
sons
commit
|
commitdiff
|
tree
2015-05-06
S
z
ilárd Páll
Me
r
g
e
"Merg
e
release-4
-
6 into release-
5
-0" into release-5-0
commit
|
commitdiff
|
tree
2015-04-21
Sz
i
lárd Páll
Allow m
a
nually se
t
t
ing target GPU arch
i
tectures
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
define
CUDA
v
ersion a
n
d tex
o
b
j
s
upport in config
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilárd Páll
Add k
e
rne
l
and compile
r
suport fo
r
CC 3
.
7 devices
commit
|
commitdiff
|
tree
2014-11-17
Szilárd Páll
Allow incr
e
asing CUDA threa
d
bl
o
ck siz
e
commit
|
commitdiff
|
tree
2014-11-17
Szilárd
Páll
Add CUDA
compiler support for
C
C 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
S
zilárd Páll
Start
nvprof profiling at
c
ounter reset
commit
|
commitdiff
|
tree
2014-09-26
S
zilárd
P
áll
Fix inc
o
r
r
ect assertion s
t
atement
commit
|
commitdiff
|
tree
2014-09-09
Szi
l
á
r
d Páll
Fix
malf
o
rm
e
d CUDA ve
r
sion macro c
h
eck
commit
|
commitdiff
|
tree
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