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Refactor cj preload in the nonbonded OpenCL kernels
2018-04-05
Szilárd Páll
Ref
a
ctor cj p
r
eload in
the nonbond
e
d
O
p
e
nCL k
e
rn
e
ls
commit
|
commitdiff
|
tree
2018-03-29
Sz
i
lár
d
P
á
ll
Twe
a
k/enab
l
e icc 18 post
-
submit
tests
commit
|
commitdiff
|
tree
2018-03-29
Szilárd
P
áll
S
w
itch
C
UDA 9
.
0/gcc 5 t
e
st to CUDA 9
.
1
/
g
c
c
6
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
R
e
q
uire OpenCL
1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szil
á
r
d Páll
Fix clang 6
.
0 with CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szil
á
rd
Páll
Avoid icc-specific -march=core-av
x
2 flag with gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szilárd
Páll
Exte
n
d "F
i
nding
out
how to run
m
drun better
"
se
c
tion
commit
|
commitdiff
|
tree
2018-03-05
S
z
i
lár
d
Páll
Ad
d
to the contributor section
commit
|
commitdiff
|
tree
2018-02-21
Szilárd Páll
Switch pre
-
su
b
mit
CUDA
8
.
0 te
s
t
t
o 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szil
á
r
d
Pál
l
Avo
i
d abort
i
n
g
mdrun wh
e
n GPU sanity chec
k
d
ete
c
ts
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd
P
áll
Rem
o
ve barrie
r
s preventin
g
texture ref
e
rence ra
c
es
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Remove si
n
gle/multi compilation unit switch
i
ng
l
ogic
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Remove t
e
xture refe
r
e
nc
e
support in the CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd Páll
Call GPU pr
o
f
i
ler reset on separa
t
e
P
ME ranks
commit
|
commitdiff
|
tree
2018-01-10
Sz
i
lárd P
á
ll
User gu
i
de u
p
dates to G
P
U section
commit
|
commitdiff
|
tree
2018-01-10
Szil
á
rd Páll
Release note
s
tweaks
commit
|
commitdiff
|
tree
2018-01-10
S
z
ilárd Páll
I
nstall gui
d
e updates
commit
|
commitdiff
|
tree
2018-01-10
Szil
á
rd Páll
Environmen
t
v
aria
b
le docs mainten
a
nce
commit
|
commitdiff
|
tree
2017-12-10
Szilár
d
P
áll
Disable defa
u
lt-on NVML support in CM
a
k
e
commit
|
commitdiff
|
tree
2017-12-06
S
z
ilárd Páll
Imp
l
em
e
nt
a
l
tern
a
ting
G
PU wa
i
t
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
S
e
parate local GPU NB
wait
from
emul
a
tion laun
c
h
commit
|
commitdiff
|
tree
2017-11-28
Szilár
d
Pá
l
l
Refactor
G
P
U rolling pr
u
ne launch
commit
|
commitdiff
|
tree
2017-11-27
S
z
i
l
ár
d
Páll
Time FFT/gather in mixed mode
commit
|
commitdiff
|
tree
2017-11-24
Szi
l
á
rd P
á
ll
Add GPU
s
har
i
ng post-
s
ubmit
c
onfig
commit
|
commitdiff
|
tree
2017-11-23
S
z
i
lárd
P
áll
Move GPU
F
FT/g
a
ther
launch afte
r
GPU nonbondeds
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Us
e
-mavx2 -mfm
a
instead o
f
-ma
r
ch with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilá
r
d Páll
Merge c
o
mmon nbnxn CUDA/
O
penCL GPU wait
code-paths
commit
|
commitdiff
|
tree
2017-11-07
S
zilárd Páll
Add wallcycle timer for th
e
PME
GPU F re
d
uction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Split
off nbnxn GP
U
timing and s
t
aging redu
c
tion
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Deduplica
t
e
CUDA
a
nd OpenCL timer st
r
u
c
t
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Pá
l
l
Fix nstl
i
st increase warnin
g
print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Pál
l
Che
c
k CUD
A
avai
l
abl
e
/compil
e
d c
o
de compatibility
commit
|
commitdiff
|
tree
2017-10-31
Szi
l
árd Páll
Fix nstlist inc
r
ea
s
e
warning print
commit
|
commitdiff
|
tree
2017-10-26
S
zilárd
Páll
Reorg
a
n
i
z
e PME G
P
U launch
commit
|
commitdiff
|
tree
2017-10-23
S
zilárd Páll
Eli
m
inate so
m
e O
C
L/CU
D
A code code duplicat
i
on
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Disable
O
p
e
n
MP with clang 3
.
4
p
ost-subm
i
t
config
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Re
m
o
v
e unise
d
Ope
n
C
L
debugging helpe
r
s
commit
|
commitdiff
|
tree
2017-10-12
Sz
i
lár
d
Páll
R
e
mo
v
e the size_t fr
o
m the PME gather CUDA kenel
s
commit
|
commitdiff
|
tree
2017-10-05
Sz
i
lárd Páll
Refa
c
tor
scaled bo
x
handling for PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Fix p
a
i
r list ar
r
ay assertio
n
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Avoid -Wmissing-proto
t
ypes warnings in clang CUDA build
s
commit
|
commitdiff
|
tree
2017-10-03
Szil
á
rd
Páll
Move Ewald splitt
i
ng-related code to
ewald
-
utils
commit
|
commitdiff
|
tree
2017-10-03
Szil
á
rd Pál
l
Ena
b
le c
o
mpiling C
U
DA device code
with clang
commit
|
commitdiff
|
tree
2017-09-28
S
zil
á
r
d
P
á
ll
Cor
r
ect misplaced CUDA timing eve
n
t
record
commit
|
commitdiff
|
tree
2017-09-26
Szilárd Páll
Re
n
ame GPU launch/wait cy
c
le
counters
commit
|
commitdiff
|
tree
2017-09-18
Szilár
d
Páll
Minor
r
efacto
r
ing of CU
D
A non-bonded kernels
commit
|
commitdiff
|
tree
2017-09-14
Szilár
d
Páll
CUDA
9/Volta su
p
p
ort for the pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
Szilár
d
Páll
Merg
e
branch 'releas
e
-2016
'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd P
á
ll
NVIDIA Volta performance tweaks
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Pá
l
l
F
i
x
t
ypo
a
n
d tweak env
var docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
A
v
o
id divis
i
o
n by
zero is p
r
uning part
calculati
o
n
commit
|
commitdiff
|
tree
2017-08-21
Sz
i
lárd Páll
Add
OpenCL pruning ker
n
e
l
s and l
a
unch/timin
g
logic
commit
|
commitdiff
|
tree
2017-08-18
Sz
i
lárd Páll
Improve a
w
kward handling of GMX_CUDA
_
TARGET
*
h
e
l
p
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Ad
d
CU
D
A pruni
n
g
k
e
rnels and
l
a
u
n
ch/timing logic
commit
|
commitdiff
|
tree
2017-07-27
Sz
i
l
á
rd Páll
In
f
orm users
a
b
out
the end of r
u
n DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilárd Páll
Add A
R
M
_
NE
O
N_ASIMD post-submi
t
test
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Pál
l
Re-
e
nable lost DD warning + minor code moder
n
izati
o
n
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
Re-enable a
c
cidentally lost DD warning
commit
|
commitdiff
|
tree
2017-06-20
Szilárd P
á
ll
Refactorin
g
+ clarificat
i
on o
f
DLB s
t
ate handling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd P
á
l
l
Allow
d
i
s
abling th
e
explicit use
of
C
UDA text
u
r
e
s
commit
|
commitdiff
|
tree
2017-06-07
Szi
l
árd Páll
Suppress sm_2x deprecation warning with CUDA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd Páll
Add CUDA
8
.
0
+
SIMD pre-submit test
commit
|
commitdiff
|
tree
2017-06-02
Szilárd P
á
ll
Add
ARM_NEON post
-
submit test
commit
|
commitdiff
|
tree
2017-05-29
Szilá
r
d Pál
l
Q
u
otes a
r
e cool, typo-free o
n
es a
r
e even "cooler"
commit
|
commitdiff
|
tree
2017-05-23
Szilárd Páll
Add basic doxygen for
the
Verl
e
t
no
n
bonded
module
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Refactor CUDA kern
e
l use
o
f
tables
commit
|
commitdiff
|
tree
2017-03-29
Szi
l
ár
d
Páll
Add CUDA util
functio
n
f
o
r constant
l
oads
commit
|
commitdiff
|
tree
2017-03-25
Szilár
d
Pál
l
Condit
i
onal twea
k
in the nonbon
d
ed GPU
k
erne
l
s
commit
|
commitdiff
|
tree
2017-03-17
Szi
l
árd Páll
A
l
low by
p
as
s
ing
O
penCL device compatibi
l
i
ty ch
e
ck
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Páll
Pr
i
n
t
code
o
f unkno
w
n OpenCL error
commit
|
commitdiff
|
tree
2017-03-09
S
zilárd P
á
ll
Fix mdrun h
a
nging upon ex
i
t with
s
e
p
PME ranks
commit
|
commitdiff
|
tree
2017-01-24
Szi
l
árd Páll
Remove unused argument
i
n GPU
kernels
commit
|
commitdiff
|
tree
2016-12-09
S
z
ilár
d
Páll
Turn off h
w
loc suppo
r
t w
h
en static l
i
b found
commit
|
commitdiff
|
tree
2016-11-17
S
z
ilárd Páll
Correct k
e
r
n
el launch b
o
unds for C
U
DA sm_60
commit
|
commitdiff
|
tree
2016-11-01
Szilárd Páll
Merge "Merge branch release-20
1
6"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd P
á
ll
G
PU-related
a
ddi
t
ions to t
h
e ins
t
all/user guide
commit
|
commitdiff
|
tree
2016-10-27
S
zilár
d
Páll
Make -cl-f
a
st-
r
el
a
xed-math def
a
u
lt
commit
|
commitdiff
|
tree
2016-10-26
Szilárd Páll
Add GMX_DISABL
E
_GPU_T
I
MIN
G
en
v
v
ar
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
Correc
t
kernel launch bounds for CUDA sm_
6
0
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Páll
Make ASAN/TSAN/MSA
N
build types
easier
t
o
d
i
scover
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
Add PDF m
e
tadata to the
m
an
u
al
commit
|
commitdiff
|
tree
2016-07-08
Szilárd P
á
ll
User guide c
l
arifications
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Pá
l
l
Add user guide info on CUDA applic
a
tio
n
clocks
commit
|
commitdiff
|
tree
2016-07-05
Szilárd P
á
ll
Document GMX_GPU_APP
L
ICATION_CL
O
CKS
commit
|
commitdiff
|
tree
2016-07-04
S
zilár
d
Páll
D
isable
NVIDI
A
J
I
T cache
with Ope
n
CL
commit
|
commitdiff
|
tree
2016-06-14
Szilá
r
d Páll
F
i
x CUDA build
wi
t
h
multiple
com
p
i
l
ation units
commit
|
commitdiff
|
tree
2016-06-05
Szilár
d
Páll
Add
s
upport
f
or CUDA
C
C 6
.
0
/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Pál
l
Add env
.
var
.
to enable O
p
enC
L
caching
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Fix OpenCL
b
i
nary cache fil
e
name
ge
n
eration
commit
|
commitdiff
|
tree
2016-05-05
Sz
i
lár
d
Páll
Remove CUDA host c
o
mpile
r
consistency checks
commit
|
commitdiff
|
tree
2016-04-28
S
z
ilárd Páll
W
o
rkaround for gc
c
false
posit
i
ve war
n
i
ng
commit
|
commitdiff
|
tree
2016-04-27
Szil
á
rd Páll
Fix
m
ultipl
e
MPI ra
n
ks pe
r
n
o
d
e
with Ope
n
CL
commit
|
commitdiff
|
tree
2016-04-26
Szilá
r
d Páll
Fix OpenCL assertion
commit
|
commitdiff
|
tree
2016-04-19
Szilárd
P
áll
Mo
v
e
o
u
t
C
UDA pr
o
filer tri
g
gers
f
r
o
m NBN
X
N
commit
|
commitdiff
|
tree
2016-04-13
Szilárd
P
áll
Spelling fixes
commit
|
commitdiff
|
tree
2016-04-13
S
zi
l
árd Páll
D
o no
t
cre
a
te emp
t
y man/m
a
n
7
directory
commit
|
commitdiff
|
tree
2016-04-04
Szilárd Pál
l
M
a
rk mor
e
va
r
iables as a
d
vanced
commit
|
commitdiff
|
tree
2016-03-31
S
z
i
l
á
rd
P
áll
refactor CUD
A
texture-
b
as
e
d table initi
a
liz
a
t
ion
commit
|
commitdiff
|
tree
2016-03-31
Szilá
r
d
Páll
F
i
x multiple tMPI ranks per OpenC
L
device
commit
|
commitdiff
|
tree
2016-03-30
Szilá
r
d
Páll
LJ com
b
ination rule kernels for
O
penC
L
commit
|
commitdiff
|
tree
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