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Remove BufferOpsUseGpu enum
2020-01-31
Szilárd Páll
Remove Buff
e
rOps
U
seGpu
e
num
commit
|
commitdiff
|
tree
2020-01-29
S
z
i
lárd Páll
Sm
a
l
l improv
e
ment in OpenCL error handling
commit
|
commitdiff
|
tree
2020-01-24
Szilá
r
d
P
áll
Add target for
offline PME OpenCL compi
l
ati
o
n
commit
|
commitdiff
|
tree
2020-01-19
Szilárd Páll
Template X buffer
ops on setFillerCo
o
rds
commit
|
commitdiff
|
tree
2019-12-20
Szilárd Pá
l
l
Enab
l
e bu
f
f
e
r ops when G
M
X_GPU_DD_COMM
S
is set
commit
|
commitdiff
|
tree
2019-12-19
Szilárd P
á
ll
PP-PME load balan
c
i
n
g
imp
r
ovements
commit
|
commitdiff
|
tree
2019-12-18
Sz
i
lárd Páll
Allow
x D2H to over
l
ap with GPU force
compute
commit
|
commitdiff
|
tree
2019-12-17
S
zilárd Páll
Com
m
ent th
e
use of waitCoor
d
i
n
atesCopiedToDe
v
i
c
e
commit
|
commitdiff
|
tree
2019-12-17
S
z
i
l
árd P
á
ll
Add wallcy
c
l
e cou
n
ting to Sta
t
eProp
a
gatorDataGpu
commit
|
commitdiff
|
tree
2019-12-16
Szilárd Pál
l
Fix the GPU bonded stream with 1 PP + 1 PME rank
commit
|
commitdiff
|
tree
2019-12-12
Szilárd P
á
l
l
Allow o
v
erlapping CPU force
H
2D wit
h
c
o
m
pute
commit
|
commitdiff
|
tree
2019-11-17
Szilárd P
á
ll
Trigger o
c
l_nbnxm_kernels targ
e
t wit
h
clang
-
tidy
commit
|
commitdiff
|
tree
2019-11-17
Szilárd Páll
Fix cla
n
g-tidy 8 war
n
ing
s
in OpenCL nbnxm kernels
commit
|
commitdiff
|
tree
2019-11-03
S
z
i
lár
d
Páll
Improv
e
Simulat
i
onWo
r
klo
a
d doxygen
commit
|
commitdiff
|
tree
2019-11-01
Szilár
d
P
á
l
l
Ren
a
me
reference check
s
um ge
n
erating
t
a
rget
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
U
s
e "
-
" in checks
u
m
-
related version suffix
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
I
mprove workload
dat
a
struc
t
ures' docs
commit
|
commitdiff
|
tree
2019-10-28
Szilárd Páll
E
xten
d
S
imul
a
tionW
o
rkload with CPU flags
commit
|
commitdiff
|
tree
2019-10-21
Szi
l
árd Páll
Remove
unsupp
o
rte
d
configs from the gp
u
update matri
x
commit
|
commitdiff
|
tree
2019-10-21
Szilárd Páll
Over
r
i
d
e
GMX_GPU_DD_COMMS if nonbonded
s
are off
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Páll
Add stric
t
assertions on x synchronizer
in PME
commit
|
commitdiff
|
tree
2019-10-18
S
z
il
á
r
d
Pá
l
l
Fix genion clang-8 warning
commit
|
commitdiff
|
tree
2019-10-17
Szil
á
r
d
Páll
Fix clang-tidy wa
r
ni
n
gs
i
n gpu
h
aloexcha
n
g
e
_impl
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
S
zilárd P
á
l
l
Eliminate spur
i
ous GPU->CPU copy
commit
|
commitdiff
|
tree
2019-10-17
S
z
ilárd
P
áll
Disabl
e
GMX_GPU_P
M
E_PP
_
C
O
MMS if PME is not offloaded
commit
|
commitdiff
|
tree
2019-10-16
Szilárd Páll
Fix initialization
of f
i
el
d
in PME da
t
a
s
t
ructure
commit
|
commitdiff
|
tree
2019-10-16
Szilárd P
á
ll
Make
the wait
o
n nonb
o
nded GPU re
s
ult
s
c
ondit
i
onal
commit
|
commitdiff
|
tree
2019-10-15
Szilárd
P
ál
l
Trigger syn
c
hronizer when l
o
cal
f
or
c
es are ready
commit
|
commitdiff
|
tree
2019-10-15
S
z
i
lárd P
á
ll
Li
n
k GPU coordina
t
e producer and co
n
s
u
me
r
t
a
sk
s
commit
|
commitdiff
|
tree
2019-10-13
Szilá
r
d Páll
Enable StatePropagatorGpuData for
f
o
r
ce transf
e
rs
commit
|
commitdiff
|
tree
2019-10-13
Szi
l
árd Páll
M
o
ve b
u
ffer ops
/ PME F
reduction
flags
into StepWorkload
commit
|
commitdiff
|
tree
2019-10-10
Szi
l
árd Pál
l
Migrate code
to using SimulationWorkload flags
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Rem
o
ve incorrec
t
GPU tas
k
dependency
commit
|
commitdiff
|
tree
2019-10-10
Szil
á
r
d
Páll
Fix
c
o
nditio
n
s for building
StatePro
p
ag
a
to
r
D
a
taGpu
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
P
á
ll
Construct a struct with development feature
f
l
ags
commit
|
commitdiff
|
tree
2019-10-10
Sz
i
l
árd Páll
Pass
l
is
t
o
f
EventSyn
c
hroniz
e
rs to
GPU
r
e
d
u
ction
commit
|
commitdiff
|
tree
2019-10-10
S
zilárd Páll
A
d
d management fo
r
coordinate
s
copy events into State
P
ropaga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Szilár
d
Páll
A
d
d GPU event
t
o mark that coordinate update is d
o
ne
commit
|
commitdiff
|
tree
2019-09-30
Szilárd P
á
ll
Mo
v
e PME GPU program bu
i
lding later
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Páll
Make the wait on PM
E
GPU results
c
o
n
ditio
n
al
commit
|
commitdiff
|
tree
2019-09-27
Szilárd Páll
S
w
i
t
ch
GPU upda
t
e off by defa
u
lt
commit
|
commitdiff
|
tree
2019-09-25
S
z
ilár
d
Pá
l
l
Merge remote-trackin
g
branch
'o
r
igin
/
re
l
ease-2019
'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Pál
l
Set
u
p
workl
o
ad data structur
e
s
commit
|
commitdiff
|
tree
2019-09-16
S
zilárd Páll
Refactor GPU buf ops-related
l
aunche
s
in do_force()
commit
|
commitdiff
|
tree
2019-09-16
S
z
i
l
á
r
d
P
á
l
l
Eliminate unnece
s
sary G
P
U stream de
p
ende
n
cy call
commit
|
commitdiff
|
tree
2019-09-13
Szilárd
P
áll
Fix GPU X buffe
r
ops
w
i
t
h empty
domain
commit
|
commitdiff
|
tree
2019-09-12
Sz
i
lárd Páll
Reorganize on-GPU PME force reduc
t
ion flag han
d
ling
commit
|
commitdiff
|
tree
2019-09-11
Szilárd Páll
F
ix gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-10
S
z
ilárd Páll
El
i
minate raw force flags in do_force
_
lowl
e
vel()
commit
|
commitdiff
|
tree
2019-09-10
Szilá
r
d Pá
l
l
Use thread-M
P
I in the gpu
c
omm matrix
commit
|
commitdiff
|
tree
2019-09-09
Szilár
d
Páll
Ass
e
rt t
h
e types of
OpenC
L
k
e
rnels
a
rgume
n
ts
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Pá
l
l
Pass
g
mx::ForceFlag
s
to C
P
U n
b
nxm
d
ispatch code
commit
|
commitdiff
|
tree
2019-09-09
Szilár
d
Pá
l
l
Pass
t
h
e new gmx:
:
F
o
r
ceFla
g
s to t
h
e nbnxm module
commit
|
commitdiff
|
tree
2019-09-06
Szilárd Pá
l
l
Add gpuupdate and
g
pucom
m
O
n
Dem
a
nd token
s
commit
|
commitdiff
|
tree
2019-09-04
Szi
l
árd Páll
Bump AR
M
HP
C
toolcha
i
n
in post-su
b
mit to v1
9
.
3
commit
|
commitdiff
|
tree
2019-09-04
S
z
ilárd Páll
Add back a
c
lang-tidy except
i
o
n
commit
|
commitdiff
|
tree
2019-09-04
Szi
l
árd Páll
C
e
n
tr
a
lize more MD/force she
d
u
l
e
flags
commit
|
commitdiff
|
tree
2019-08-28
S
zilárd P
á
ll
Add clan
g
-tidy nightly test
w
i
t
h SIMD + Ope
n
CL
commit
|
commitdiff
|
tree
2019-08-28
Szilár
d
Páll
Mo
v
e nonbonded GP
U
wait tim
i
ng i
n
t
o the G
P
U module
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Pá
l
l
clang-
t
i
d
y
8 fixes for
t
he GPU hos
t
code-path
commit
|
commitdiff
|
tree
2019-08-25
S
z
ilárd Páll
Further fixes for clan
g
-tidy clang ver
s
ion 8
commit
|
commitdiff
|
tree
2019-08-23
S
z
ilár
d
P
áll
Fix
c
lan
g
-tidy warnings i
n
t
h
e
O
penCL build
commit
|
commitdiff
|
tree
2019-08-23
Szilárd
Páll
Fix clang t
i
dy warnings i
n
CUDA
build
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
B
u
mp clang-cuda pos
t
-submit compi
l
er/CUDA versi
o
n
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
S
w
itch to
A
RM HP
C
to
o
lchain
v
19
.
2 in post-s
u
bmit
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
Work
around
clan
g
C
UD
A
d
evice code codegen bug
commit
|
commitdiff
|
tree
2019-08-16
Szilá
r
d Páll
Fi
x
sim_util
.
c
p
p copyright h
e
ader
commit
|
commitdiff
|
tree
2019-08-15
S
z
ilárd Pál
l
Fix
OpenCL gather
reduction
commit
|
commitdiff
|
tree
2019-08-12
Sz
i
lárd
Páll
Fix hw
l
oc
find package nam
i
ng an
d
quietness iss
u
es
commit
|
commitdiff
|
tree
2019-07-31
Sz
i
lárd Páll
Store wc
y
cle poin
t
er in nonbo
n
d
ed_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
S
z
ilárd P
á
l
l
Fixes for F
buffer ops change
commit
|
commitdiff
|
tree
2019-07-31
Szil
á
r
d P
á
ll
Move cyc
l
e
c
ounting into the GPU bonded
m
odul
e
commit
|
commitdiff
|
tree
2019-07-31
S
z
i
l
ár
d
Páll
Report when development featur
e
f
l
ags are
u
s
e
d
commit
|
commitdiff
|
tree
2019-07-31
Szil
á
r
d Páll
Move
e
nd of ste
p
GPU ta
s
k launches to a fun
c
tion
commit
|
commitdiff
|
tree
2019-07-25
S
z
ilárd Páll
Only st
o
p the CUDA pr
o
filer if there are devices
commit
|
commitdiff
|
tree
2019-07-22
Szilárd Páll
Conditional
l
y pin GPU-rela
t
ed grid data
commit
|
commitdiff
|
tree
2019-07-11
S
z
ilárd Páll
U
se
H
ostVe
c
tor for G
r
i
d/GridS
e
t data need
o
n-
G
P
U
commit
|
commitdiff
|
tree
2019-07-08
Szilárd Páll
Eliminate a
u
s
e of double prec
i
sion in
the GPU bonded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szilá
r
d
Páll
Bump
l
atest CUD
A
+ gcc in the pre-
s
ubmit ma
t
r
ix
commit
|
commitdiff
|
tree
2019-07-04
Szilárd Páll
Fix a -Wformat-
t
run
c
ation
warning
i
n tn
g
commit
|
commitdiff
|
tree
2019-07-01
Szilárd Páll
Refactor tracking of GPU short-range work/s
k
ipping
commit
|
commitdiff
|
tree
2019-06-30
Szilárd Páll
Create
d
e
d
i
cated subcounter for
n
onb
o
nded FEP
commit
|
commitdiff
|
tree
2019-06-28
Szilárd Páll
Separate CPU NB
ker
n
el and buffer clea
r
ing sub
c
ounters
commit
|
commitdiff
|
tree
2019-06-27
Szilárd Páll
R
emove already resolved post-
s
ub
m
it matrix TOD
O
commit
|
commitdiff
|
tree
2019-06-24
Szilárd Páll
Only use AVX512
i
n
o
wn-FFTW if GR
O
MACS als
o
u
se
s
i
t
commit
|
commitdiff
|
tree
2019-06-19
S
zilárd Páll
Di
s
ab
l
e
PME GPU on Apple
O
penCL
commit
|
commitdiff
|
tree
2019-05-29
Szilár
d
Páll
Te
m
plate x
b
u
ffer ops call on wh
e
ther
G
PU
i
s
u
sed
commit
|
commitdiff
|
tree
2019-05-23
Szilárd
Páll
Fi
x
mulitple link r
e
fs
i
n
dev
-
man
u
a
l
commit
|
commitdiff
|
tree
2019-05-20
Szilár
d
P
áll
I
m
prov
e
X b
u
f
f
er ops k
e
rnel
commit
|
commitdiff
|
tree
2019-04-25
S
zilárd Páll
Fix cl
a
ng warn
i
ng about NU
L
L use
commit
|
commitdiff
|
tree
2019-04-25
Szi
l
árd Páll
Avoid
u
s
i
n
g
AtomLoca
l
ity::Count as a valid value
commit
|
commitdiff
|
tree
2019-04-24
Szilá
r
d Pál
l
Fix CUDA fallbac
k
shmem gather reduction
commit
|
commitdiff
|
tree
2019-04-18
Szilárd Pá
l
l
Fix warnings & c
o
nsolid
a
te de
c
laratio
n
s
commit
|
commitdiff
|
tree
2019-04-16
Sz
i
lárd Pá
l
l
Move func
t
ions
ope
r
ati
n
g on enerdata ou
t
of force
.
cp
p
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Remov
e
"coarse
l
o
a
d
balancing var
s
" from forcere
c
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Group scheme re
l
ated cleanu
p
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Remove Group s
c
heme
neighb
o
r sear
c
h wrapper
commit
|
commitdiff
|
tree
2019-04-15
Szilárd P
á
ll
A
dd u
s
e
r guide note on AV
X
5
1
2
thrott
l
e in GPU runs
commit
|
commitdiff
|
tree
2019-04-05
Szilárd Páll
R
e
vert "Temporar
i
l
y
disa
b
le ARM HP
C
compiler
i
n post
.
.
.
commit
|
commitdiff
|
tree
2019-04-05
Szilárd Páll
R
evert "Tempo
r
ari
l
y
d
isabl
e
AR
M
HPC com
p
i
l
er in
post
.
.
.
commit
|
commitdiff
|
tree
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