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Fixed bug in orires code that was checking too strict.
2020-02-15
Szi
l
á
rd Páll
Fix gpuudpate and
g
pucomm
matri
x
d
oc
s
commit
|
commitdiff
|
tree
2020-02-11
Szilárd Páll
F
i
x incorrect
G
PU
update task a
s
signme
n
t fallback
commit
|
commitdiff
|
tree
2020-02-10
Szilárd Páll
Avo
i
d de
v
fla
g
s i
n
triggering gp
u
up
d
a
t
e n
i
ghtl
y
matrix
commit
|
commitdiff
|
tree
2020-02-10
Szilárd Páll
Avoid (re)init
i
a
l
izing
GPU
u
pda
t
e wi
t
h
o
ut DD
commit
|
commitdiff
|
tree
2020-01-24
Szilárd Páll
Fi
x
d
e
adloc
k
in
P
P
-
PME balan
c
ing startup delay
commit
|
commitdiff
|
tree
2020-01-16
Sz
i
lárd
P
áll
Fix
PME run mode without PME
commit
|
commitdiff
|
tree
2020-01-10
Szilárd Páll
Impro
v
e mdrun pe
r
form
a
n
c
e us
e
r
guide
commit
|
commitdiff
|
tree
2019-12-20
S
z
ilárd Páll
Enable
b
uffer
op
s
whe
n
G
M
X
_GP
U
_DD_COMMS is
s
et
commit
|
commitdiff
|
tree
2019-12-19
Szilárd Páll
PP-PME load ba
l
ancing impr
o
vem
e
nt
s
commit
|
commitdiff
|
tree
2019-12-18
S
zi
l
árd Páll
Allow x
D
2H t
o
overlap
w
ith GPU
f
orce compu
t
e
commit
|
commitdiff
|
tree
2019-12-17
Szilárd Páll
Comment the use of wa
i
t
C
oordina
t
e
s
CopiedToDevice
commit
|
commitdiff
|
tree
2019-12-17
Szilá
r
d Páll
Add wallcycle count
i
ng
to
S
ta
t
eP
r
opagatorD
a
taGpu
commit
|
commitdiff
|
tree
2019-12-16
Szilárd Páll
Fix t
h
e
G
PU b
o
nded stream with 1 PP + 1 PM
E
rank
commit
|
commitdiff
|
tree
2019-12-12
Szilárd
P
áll
All
o
w o
v
erlap
p
ing CPU for
c
e
H2D wit
h
compute
commit
|
commitdiff
|
tree
2019-11-17
S
zilárd
P
áll
Trigger ocl_nbnxm_kernels tar
g
et with cla
n
g-
t
i
dy
commit
|
commitdiff
|
tree
2019-11-17
Szilár
d
Páll
Fix clan
g
-tidy 8
w
arn
i
ngs
i
n OpenCL nbnxm ker
n
els
commit
|
commitdiff
|
tree
2019-11-03
Szilár
d
Páll
I
mprove Simul
a
tionWorkload doxygen
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
Rename refe
r
ence
c
hecksum gener
a
ting target
commit
|
commitdiff
|
tree
2019-11-01
Szilá
r
d Páll
Use
"
-" in checksum-relat
e
d
version suffix
commit
|
commitdiff
|
tree
2019-11-01
Szilá
r
d Páll
I
m
prove
wor
k
load d
a
ta structur
e
s' docs
commit
|
commitdiff
|
tree
2019-10-28
Szi
l
árd
P
á
ll
Exte
n
d SimulationWork
l
o
a
d with
C
P
U
flags
commit
|
commitdiff
|
tree
2019-10-21
S
zilárd Páll
Remove
unsupported
configs
from the gpuupdate matrix
commit
|
commitdiff
|
tree
2019-10-21
Szilárd
P
á
l
l
Overr
i
de GMX_GPU_DD_COMM
S
if
nonbondeds
are off
commit
|
commitdiff
|
tree
2019-10-18
Sz
i
lá
r
d Páll
Add str
i
ct as
s
ertions on x synchronizer
i
n
PME
commit
|
commitdiff
|
tree
2019-10-18
Szil
á
rd Páll
Fix genion clang-8 warning
commit
|
commitdiff
|
tree
2019-10-17
S
z
ilárd
Pál
l
Fi
x
clang-
t
idy warnin
g
s in gpuhaloe
x
change_impl
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
E
l
i
m
inate spurious GP
U
->CPU co
p
y
commit
|
commitdiff
|
tree
2019-10-17
Szi
l
á
r
d Pá
l
l
Disable GMX_GPU
_
PME_PP_COMMS
if PM
E
is not offloaded
commit
|
commitdiff
|
tree
2019-10-16
Szilárd Pál
l
Fix initial
i
zation of field in PME
d
ata structure
commit
|
commitdiff
|
tree
2019-10-16
Szilárd Pál
l
M
a
ke the wait on
n
onbo
n
ded GPU
results condit
i
on
a
l
commit
|
commitdiff
|
tree
2019-10-15
Szi
l
árd Páll
Trigger synchronizer
w
hen local
forces a
r
e ready
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
Link GPU coordin
a
te pro
d
ucer and co
n
su
m
er tasks
commit
|
commitdiff
|
tree
2019-10-13
S
zilárd Páll
Enable
S
tatePr
o
pagatorGpuData for
force transfers
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Páll
Mov
e
buffer ops / P
M
E F redu
c
tion flag
s
into
S
tepW
o
rkload
commit
|
commitdiff
|
tree
2019-10-10
S
zilár
d
P
á
ll
Mi
g
rate code to using Simu
l
ationWorkload flags
commit
|
commitdiff
|
tree
2019-10-10
S
zil
á
rd
Páll
Remo
v
e incorrect
GP
U
t
ask depende
n
c
y
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Fix
conditions for build
i
ng StatePropagatorDataGpu
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
C
onstruct a s
t
ruc
t
wi
t
h development
f
eature f
l
ags
commit
|
commitdiff
|
tree
2019-10-10
Szi
l
ár
d
Páll
P
a
ss
l
ist of
E
vent
S
ynchronizers
t
o GP
U
reduction
commit
|
commitdiff
|
tree
2019-10-10
Szi
l
á
r
d Páll
Add management
for coo
r
di
n
at
e
s cop
y
eve
n
ts into StatePropa
g
a
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
S
zilá
r
d Páll
Add GPU ev
e
n
t to mark that coordi
n
ate
update is
d
one
commit
|
commitdiff
|
tree
2019-09-30
Szilárd P
á
ll
Move P
M
E
GPU pro
g
ram building
l
ate
r
commit
|
commitdiff
|
tree
2019-09-30
S
z
ilárd
P
áll
Make the wai
t
on PME GP
U
results conditional
commit
|
commitdiff
|
tree
2019-09-27
S
zil
á
rd Páll
Switch GPU update off by defa
u
l
t
commit
|
commitdiff
|
tree
2019-09-25
S
z
il
á
rd Páll
M
e
rge remote-tracking branch 'orig
i
n
/
rel
e
a
se-2
0
19'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Páll
Set
u
p wo
r
k
l
oad data st
r
uctures
commit
|
commitdiff
|
tree
2019-09-16
Szilárd
Páll
Refacto
r
GPU buf ops-r
e
lated l
a
unches i
n
do_fo
r
ce()
commit
|
commitdiff
|
tree
2019-09-16
Szilár
d
Páll
Elim
i
nate u
n
necessar
y
GPU stream dependency
c
all
commit
|
commitdiff
|
tree
2019-09-13
Szilárd Pál
l
Fix GPU
X
buffer op
s
with empty domain
commit
|
commitdiff
|
tree
2019-09-12
Szilárd Páll
Reorga
n
i
z
e on-GPU PME force
reduc
t
ion flag handling
commit
|
commitdiff
|
tree
2019-09-11
Szilárd Páll
F
i
x gpu
c
o
m
m matrix
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
Elim
i
nate
raw force flag
s
in do_for
c
e_lowlevel
(
)
commit
|
commitdiff
|
tree
2019-09-10
S
z
ilárd Páll
Use thread-MP
I
in t
h
e
gpuco
m
m
matrix
commit
|
commitdiff
|
tree
2019-09-09
Sz
i
lá
r
d Páll
Assert
t
h
e types o
f
OpenC
L
kernels arg
u
ments
commit
|
commitdiff
|
tree
2019-09-09
Szil
á
rd Pál
l
Pass
gmx::ForceFlag
s
to
C
PU nbn
x
m disp
a
tch code
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Pá
l
l
P
a
ss the new gmx::ForceF
l
ags to t
h
e nbnxm mo
d
ule
commit
|
commitdiff
|
tree
2019-09-06
S
zi
l
á
r
d
P
á
l
l
Add gpuupdate and gpucom
m
OnDe
m
and tokens
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
B
u
mp ARM
H
P
C
toolchain in post-submit to
v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Add back a
clang-
t
i
dy exception
commit
|
commitdiff
|
tree
2019-09-04
Szilárd
Páll
Centralize m
o
re MD/force shed
u
le flags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd
P
ál
l
Add clang
-
t
idy nigh
t
ly t
e
st with
S
IMD + OpenCL
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Pál
l
Move no
n
bonded
G
PU wait timing int
o
the GPU m
o
dul
e
commit
|
commitdiff
|
tree
2019-08-25
Szi
l
ár
d
Páll
clang-tidy 8 fi
x
es for the G
P
U host co
d
e-path
commit
|
commitdiff
|
tree
2019-08-25
S
z
ilárd Páll
Further fixes for clang-
t
idy cla
n
g versio
n
8
commit
|
commitdiff
|
tree
2019-08-23
S
zilá
r
d Páll
Fix clang
-
tidy
w
arnings i
n
t
he OpenCL build
commit
|
commitdiff
|
tree
2019-08-23
Szi
l
árd Páll
Fix clang ti
d
y wa
r
nings in CUDA build
commit
|
commitdiff
|
tree
2019-08-19
S
z
i
l
árd Páll
Bump
c
lang-cud
a
post-submit compiler/
C
UDA ve
r
sion
commit
|
commitdiff
|
tree
2019-08-19
Szilárd
Páll
S
w
itch to A
R
M HPC toolchain v19
.
2
in post-
s
ubm
i
t
commit
|
commitdiff
|
tree
2019-08-19
Szilá
r
d Páll
Work aroun
d
clang CUDA d
e
vice
c
ode codegen bug
commit
|
commitdiff
|
tree
2019-08-16
S
z
ilárd Pál
l
Fix sim
_
uti
l
.
cpp cop
y
right header
commit
|
commitdiff
|
tree
2019-08-15
S
z
i
lár
d
Páll
Fix OpenCL gather red
u
ction
commit
|
commitdiff
|
tree
2019-08-12
Szilá
r
d
Páll
Fix hwl
o
c f
i
nd package
naming and quietness issue
s
commit
|
commitdiff
|
tree
2019-07-31
Szil
á
rd Pá
l
l
Store wcy
c
l
e
poi
n
ter
in
n
onb
o
nd
e
d_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
Szi
l
árd Páll
Fixes f
o
r F buff
e
r ops
c
hange
commit
|
commitdiff
|
tree
2019-07-31
S
zilárd Páll
Move cycle countin
g
into the GP
U
bonded
modul
e
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Pá
l
l
Report w
h
en development
f
e
ature
f
lags are used
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Move
end of step GPU tas
k
l
a
unches to a functi
o
n
commit
|
commitdiff
|
tree
2019-07-25
Szilár
d
P
ál
l
Only
s
top the CUDA profiler if t
h
ere are devices
commit
|
commitdiff
|
tree
2019-07-22
Szilárd Páll
Condition
a
l
l
y pin GPU-related
grid data
commit
|
commitdiff
|
tree
2019-07-11
Szil
á
rd Páll
U
se Hos
t
V
e
c
t
o
r
f
or Grid/GridSet data ne
e
d on-GPU
commit
|
commitdiff
|
tree
2019-07-08
Szi
l
árd
Pá
l
l
Elimi
n
at
e
a use of double preci
s
io
n
i
n
the
GPU
b
onded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
S
zilárd P
á
ll
Bump latest
CUDA + gcc in the pre-submi
t
matrix
commit
|
commitdiff
|
tree
2019-07-04
Szi
l
árd Pá
l
l
Fix a -Wformat
-
trunc
a
tion warning in tng
commit
|
commitdiff
|
tree
2019-07-01
Szilárd Pál
l
Refactor track
i
ng of GPU
s
h
o
rt-range
w
ork/sk
i
pping
commit
|
commitdiff
|
tree
2019-06-30
Szilárd Páll
Cre
a
te dedicated subcou
n
ter
f
or non
b
ond
e
d
F
E
P
commit
|
commitdiff
|
tree
2019-06-28
Szilárd Pál
l
Separa
t
e CP
U
N
B kernel and buffe
r
c
learing
s
ubcounters
commit
|
commitdiff
|
tree
2019-06-27
Szilárd Páll
Remove alre
a
dy resolved
p
o
s
t
-subm
i
t matrix TODO
commit
|
commitdiff
|
tree
2019-06-24
Szilárd Páll
O
n
ly use AVX
5
12
in own-F
F
TW
if GROMACS also use
s
it
commit
|
commitdiff
|
tree
2019-06-19
Sz
i
l
á
r
d
Páll
Disable PME
GP
U
on Apple Ope
n
C
L
commit
|
commitdiff
|
tree
2019-05-29
Szilárd Páll
Te
m
plate x b
u
ffer ops call on whether GPU is used
commit
|
commitdiff
|
tree
2019-05-23
Szilárd Páll
F
ix mu
l
itple l
i
nk
refs
i
n
dev-manual
commit
|
commitdiff
|
tree
2019-05-20
Szilárd Pá
l
l
Impr
o
ve X buffer o
p
s kernel
commit
|
commitdiff
|
tree
2019-04-25
Szilárd
P
áll
Fix clang wa
r
ning a
b
out NULL use
commit
|
commitdiff
|
tree
2019-04-25
Szil
á
rd Páll
A
v
oid usi
n
g AtomLocality::Count as a valid
v
alue
commit
|
commitdiff
|
tree
2019-04-24
Szi
l
ár
d
Páll
F
i
x CUDA fa
l
lback
s
hmem gather reduction
commit
|
commitdiff
|
tree
2019-04-18
S
zilárd Páll
Fix
w
arnings & cons
o
lidate
decla
r
at
i
ons
commit
|
commitdiff
|
tree
2019-04-16
Sz
i
lárd Páll
Move func
t
i
ons
operating on enerdata
o
ut of force
.
cpp
commit
|
commitdiff
|
tree
2019-04-16
S
z
ilárd Páll
Remove "
c
oarse
l
oa
d
b
alan
c
ing va
r
s" fro
m
forcerec
commit
|
commitdiff
|
tree
2019-04-16
Szilárd
P
áll
Group sc
h
eme related cleanup
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Pá
l
l
Re
m
o
v
e Group sch
e
me neighbor sear
c
h wrapper
commit
|
commitdiff
|
tree
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