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Eliminate macro that expands to variable in PME GPU
2018-11-07
Szil
á
rd Pá
l
l
Eliminate ma
c
ro that
e
x
pands to
variable in PM
E
GPU
commit
|
commitdiff
|
tree
2018-11-07
S
z
ilárd Páll
Ensure mini
m
um exe
c
wid
t
h o
f
the PME OpenCL ker
n
els
commit
|
commitdiff
|
tree
2018-10-14
Szilárd Páll
Fix more
c
lang-6 warnings in CUDA code
commit
|
commitdiff
|
tree
2018-10-14
S
zil
á
rd Pál
l
M
o
d
ernize OpenCL
m
emo
r
y a
l
location flags
commit
|
commitdiff
|
tree
2018-10-10
Szilárd
Páll
Swap cu
s
tom OpenCL
memset kernel for clEnqueueFillBuffer
commit
|
commitdiff
|
tree
2018-10-09
Szilárd
P
á
l
l
U
pdate re
g
r
e
ssiontest ref to downl
o
ad
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Páll
T
weak
F
indFFTW API checks
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Páll
Fix clang-6 warn
i
ng
s
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Páll
R
e
place some NULL
with
n
ullptr in CUDA code
commit
|
commitdiff
|
tree
2018-10-07
S
zilárd Páll
Use new GPU slave for AMD OpenCL verify runs
commit
|
commitdiff
|
tree
2018-10-05
Szilárd Páll
Update test ma
t
r
i
ces wit
h
new GPU
s
pecifiers
commit
|
commitdiff
|
tree
2018-09-29
Sz
i
lárd
Páll
Fix constr
a
ints cycle
counting
commit
|
commitdiff
|
tree
2018-09-21
Szilárd Páll
Bum
p
test timeou
t
only
for OpenCL int
e
gration tes
t
s
commit
|
commitdiff
|
tree
2018-08-28
Sz
i
lárd Páll
Quiet cmak
e
about clFFT not fou
n
d
after
f
i
rst run
commit
|
commitdiff
|
tree
2018-08-21
Szilárd
Pá
l
l
Requ
e
st flushing den
o
rm
s
to ze
r
o in Open
C
L
commit
|
commitdiff
|
tree
2018-08-20
Szilárd Páll
Dis
a
b
l
e singl
e
c
o
mp
i
lation uni
t
wi
t
h CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-08-15
Szilárd
P
áll
Improve GP
U
de
t
ection sanity check error message
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Pá
l
l
Move out OpenC
L
device ut
i
ls
f
r
om vectype ops
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Páll
Improve the robustn
e
ss of th
e
nvcc CMake check
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Páll
Fix nvc
c
ho
s
t
compi
l
e
r
check t
r
ig
g
eri
n
g
commit
|
commitdiff
|
tree
2018-07-29
Szilárd Páll
C
o
rrectio
n
s to th
e
user
guide md
r
un
p
e
rf sectio
n
commit
|
commitdiff
|
tree
2018-06-12
Szilárd P
á
l
l
A
l
so issue
O
M
P_
N
UM_THR
E
AD
S
read
i
n
g
not
e
to the lo
g
commit
|
commitdiff
|
tree
2018-06-04
Szilár
d
P
á
ll
Fix
ti
m
ing of clFFT
k
e
rnels
commit
|
commitdiff
|
tree
2018-05-29
Szilárd Páll
Switch
t
o C
U
DA
9
.
2 + gcc 7
commit
|
commitdiff
|
tree
2018-04-26
Szilárd Páll
Bump required CUDA version to
7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
Fix icc wa
r
ning in
p
ost-s
u
bmi
t
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
A
dd post-s
u
bmi
t
with ARM HPC Toolc
h
ain
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
Tweak
PM
E
run mode checks
commit
|
commitdiff
|
tree
2018-04-20
Szilárd Pá
l
l
M
i
nor fix for p
r
e-submit matrix
d
ocs
commit
|
commitdiff
|
tree
2018-04-19
Szilár
d
Páll
Move the P
M
E GPU c
l
earing to
t
h
e
e
n
d of the step
commit
|
commitdiff
|
tree
2018-04-16
Szilárd Páll
Add po
s
t-s
u
bmit
test
w
ith hwloc off
commit
|
commitdiff
|
tree
2018-04-13
Szilár
d
P
á
ll
Use t
r
iva
l
ue opti
o
n for GM
X
_HWLO
C
commit
|
commitdiff
|
tree
2018-04-05
Szilárd Páll
Re
f
a
ctor
c
j preload in t
h
e nonbond
e
d
O
p
e
nCL ke
r
nels
commit
|
commitdiff
|
tree
2018-03-29
Szilárd
Páll
Twea
k
/enable
icc 18 post-submit test
s
commit
|
commitdiff
|
tree
2018-03-29
Szilár
d
Páll
Sw
i
t
ch CUDA 9
.
0/gcc 5 test to CUDA 9
.
1/gcc 6
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
R
e
quire OpenCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szilárd
Páll
F
i
x clang 6
.
0 with CUDA
9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szi
l
árd Páll
Av
o
id icc-spec
i
fic -march=core-avx2 flag
w
ith gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szil
á
rd Páll
Extend "Fi
n
din
g
out how to run mdrun better" secti
o
n
commit
|
commitdiff
|
tree
2018-03-05
Szilárd Pál
l
Add
t
o the c
o
ntributor section
commit
|
commitdiff
|
tree
2018-02-21
Szilárd
P
áll
Switch pre-submit C
U
DA 8
.
0 test
t
o 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilárd P
á
ll
Avoi
d
abo
r
ti
n
g
m
drun when GPU sanity c
h
eck detects
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Sz
i
l
á
rd Páll
R
e
move
b
a
rriers preve
n
ting texture re
f
erence
rac
e
s
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Pá
l
l
Rem
o
v
e
singl
e
/multi compilati
o
n u
n
it swit
c
hing logic
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Remove textu
r
e ref
e
rence su
p
port in
t
he C
U
DA
commit
|
commitdiff
|
tree
2018-01-12
S
zilár
d
Páll
Call G
P
U
profiler reset
o
n separate PME r
a
nks
commit
|
commitdiff
|
tree
2018-01-10
S
zilárd Pá
l
l
User guide updates
to GPU s
e
c
t
ion
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Pál
l
Release
n
ote
s
t
w
e
a
ks
commit
|
commitdiff
|
tree
2018-01-10
Szilá
r
d Páll
Install
guide updates
commit
|
commitdiff
|
tree
2018-01-10
Szilárd
Pá
l
l
Environment variable docs maintenance
commit
|
commitdiff
|
tree
2017-12-10
Szil
á
rd Páll
Disable
defaul
t
-on NVML support in CMake
commit
|
commitdiff
|
tree
2017-12-06
Sz
i
lárd
P
á
ll
Imple
m
e
n
t alternating GPU wait
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
S
ep
a
ra
t
e local GPU NB
w
ait from e
m
ulation launch
commit
|
commitdiff
|
tree
2017-11-28
S
zilárd Páll
Ref
a
ct
o
r GPU ro
l
ling prune launch
commit
|
commitdiff
|
tree
2017-11-27
Szilárd Páll
Tim
e
FFT/gather i
n
mixed mode
commit
|
commitdiff
|
tree
2017-11-24
Szi
l
árd Páll
Add GPU sha
r
ing p
o
s
t-submit c
o
nfig
commit
|
commitdiff
|
tree
2017-11-23
Szil
á
rd Páll
Move GPU F
F
T/gather
launch after GPU non
b
on
d
eds
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Use -mavx2
-
m
fm
a
in
s
tead of -march w
i
th AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
M
e
rge comm
o
n nbnxn CUDA/OpenCL GPU wa
i
t code-pa
t
hs
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
l
á
rd Páll
Add wallcycle timer for t
h
e
P
ME GPU F reduction
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
lárd Páll
Sp
l
it off nbnxn
GP
U
timing and
stagin
g
reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Deduplicate CUD
A
an
d
O
p
enCL time
r
struct
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix nstlis
t
increa
s
e warn
i
n
g print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Check CUDA
available/compiled code com
p
a
t
ibility
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix
n
stl
i
st inc
r
ease
w
ar
n
ing print
commit
|
commitdiff
|
tree
2017-10-26
Szilárd
P
á
l
l
Reorg
a
nize
P
ME G
P
U l
a
unch
commit
|
commitdiff
|
tree
2017-10-23
Szilár
d
Páll
El
i
minate some OCL/CUDA code code duplica
t
ion
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Disabl
e
OpenMP with clang 3
.
4 post-submit config
commit
|
commitdiff
|
tree
2017-10-19
Szi
l
árd Páll
R
e
m
o
v
e
unised OpenCL debugging helpers
commit
|
commitdiff
|
tree
2017-10-12
S
z
i
lárd P
á
ll
Remove the size_t from t
h
e
PME gather CUDA kenels
commit
|
commitdiff
|
tree
2017-10-05
S
z
i
lárd Páll
Refactor scaled box handling for PME/Ewa
l
d
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Fix
p
a
ir
list array assertion
commit
|
commitdiff
|
tree
2017-10-05
Szilárd P
á
ll
Avoid
-Wmissing
-
pro
t
otypes warnings i
n
c
l
a
ng
C
UDA build
s
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
Move Ewald spl
i
tting-related code to ewal
d
-utils
commit
|
commitdiff
|
tree
2017-10-03
Szilárd
Páll
E
n
ab
l
e compili
n
g CUD
A
devic
e
cod
e
wit
h
clan
g
commit
|
commitdiff
|
tree
2017-09-28
Szi
l
á
r
d Páll
Co
r
rec
t
misp
l
aced CUDA timing event r
e
c
ord
commit
|
commitdiff
|
tree
2017-09-26
Szi
l
árd P
á
l
l
Renam
e
GPU launch
/
wa
i
t cycle counters
commit
|
commitdiff
|
tree
2017-09-18
S
z
i
l
árd Páll
Minor refactoring of CUDA no
n
-bonded
ker
n
els
commit
|
commitdiff
|
tree
2017-09-14
S
z
ilárd Páll
CUDA 9/
V
ol
t
a
suppo
r
t for the pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
Szilá
r
d
P
á
ll
Mer
g
e branch 'release-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd
P
áll
NVIDIA
V
olta pe
r
fo
r
mance tweaks
commit
|
commitdiff
|
tree
2017-08-29
S
zi
l
á
rd Páll
Fi
x
typo and tweak env var docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
Avoid divisi
o
n by zero is pruning part calculation
commit
|
commitdiff
|
tree
2017-08-21
Szilárd
P
á
ll
Add
O
penCL
p
r
u
n
ing kernels a
n
d launch/ti
m
ing logic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Impr
o
ve awkward
handling of GMX_CUDA_TARGET* help
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Ad
d
CUDA pruning kernels a
n
d launch
/
timing logic
commit
|
commitdiff
|
tree
2017-07-27
Szilár
d
Páll
Inform users abou
t
the end
o
f run DLB state
commit
|
commitdiff
|
tree
2017-06-26
Sz
i
lár
d
Pál
l
Ad
d
ARM_NE
O
N_A
S
IMD p
o
s
t
-submit
t
e
st
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
Re-enabl
e
lost DD
w
arning + min
o
r
cod
e
moderni
z
ation
commit
|
commitdiff
|
tree
2017-06-20
Szil
á
rd Páll
R
e
-enable accidentally los
t
D
D
warning
commit
|
commitdiff
|
tree
2017-06-20
Sz
i
lárd
P
áll
Refacto
r
ing + clarification
o
f DLB state handling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd P
á
ll
A
llow disabling
the explicit use
o
f CUD
A
t
e
xtures
commit
|
commitdiff
|
tree
2017-06-07
S
z
i
lárd Páll
Suppress
sm
_
2x deprecation warning wit
h
CUDA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd Páll
A
d
d C
U
DA 8
.
0
+ SIMD pr
e
-submi
t
te
s
t
commit
|
commitdiff
|
tree
2017-06-02
Szil
á
r
d
P
á
ll
A
d
d ARM_NEON post-submi
t
test
commit
|
commitdiff
|
tree
2017-05-29
Szil
á
rd
P
ál
l
Quot
e
s are co
o
l, typo-fre
e
ones a
r
e even
"coo
l
e
r"
commit
|
commitdiff
|
tree
2017-05-23
Szi
l
árd Páll
A
dd
b
asic doxygen for th
e
Verlet nonbonded module
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Refact
o
r CUDA kernel us
e
o
f
t
a
bles
commit
|
commitdiff
|
tree
2017-03-29
Szilárd
Páll
Ad
d
CUDA
util
f
unction for const
a
nt l
o
ads
commit
|
commitdiff
|
tree
2017-03-25
Sz
i
l
á
r
d Pá
l
l
Condi
t
ion
a
l tweak in th
e
non
b
onded GP
U
kernels
commit
|
commitdiff
|
tree
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