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Merge branch 'origin/release-2020' into merge-2020-into-2021
2020-11-11
Szilár
d
Pál
l
Fix gcc 9 "warning:
‘unused’
attribute ignored"
commit
|
commitdiff
|
tree
2020-11-10
S
z
il
á
r
d
Pá
l
l
GPU c
o
depath cycle count
i
ng fixe
s
commit
|
commitdiff
|
tree
2020-11-09
Szilárd Pál
l
Fix cycle
c
ounting
i
n
StatePropagatorDataGpu
commit
|
commitdiff
|
tree
2020-11-03
Szilárd Páll
Add missin
g
wallcycle_stop
commit
|
commitdiff
|
tree
2020-10-30
Szilárd Pá
l
l
Clang f
o
rmat
commit
|
commitdiff
|
tree
2020-10-30
S
zil
á
rd P
á
ll
Add fvec d
o
x
ygen
commit
|
commitdiff
|
tree
2020-10-30
Szilárd Páll
Fix AMD O
p
enCL flo
a
t3 array op
t
im
i
zation
b
u
g
commit
|
commitdiff
|
tree
2020-10-27
Sz
i
lárd Páll
Fix clang-tidy v10 wa
r
ni
g
ns in
OpenCL kerne
l
s
commit
|
commitdiff
|
tree
2020-10-24
Szilár
d
Páll
Exclude CUDA 10
.
2
a
s well from
C++17
com
p
ilation
commit
|
commitdiff
|
tree
2020-10-22
Szilárd Páll
Add missin
g
GPU force reduct
i
on cycle counting
commit
|
commitdiff
|
tree
2020-10-21
Szilá
r
d
P
áll
Add mis
s
ing
c
ycle counting for
G
PU hal
o
exchange cal
l
s
commit
|
commitdiff
|
tree
2020-10-20
Szilárd Pál
l
Allow gc
c
-9 o
n
P
o
w
er 9
commit
|
commitdiff
|
tree
2020-10-09
S
zilárd P
á
ll
Fix N
B
LIB CMake err
o
r
m
ess
a
g
e
commit
|
commitdiff
|
tree
2020-10-01
Szilárd Páll
Updat
e
mdrun-p
e
rformance
.
rst
commit
|
commitdiff
|
tree
2020-09-24
Szilá
r
d
Páll
Im
p
rove OpenCL log/error repor
t
i
ng
commit
|
commitdiff
|
tree
2020-09-03
Szil
á
rd Pá
l
l
Move mixplace
d
release notes
e
ntr
y
commit
|
commitdiff
|
tree
2020-04-12
Szilárd Páll
F
i
x clang 10 -Wimplicit
-
i
n
t-flo
a
t-con
v
ersion wa
r
nings
commit
|
commitdiff
|
tree
2020-03-19
Szilárd Páll
Fix DLB initial
s
tate reporting
commit
|
commitdiff
|
tree
2020-03-11
Szi
l
á
r
d Páll
Re
o
rganize dipole c
a
l
culation in do_for
c
e
commit
|
commitdiff
|
tree
2020-02-26
Sz
i
lárd Páll
Avoid mdrun t
e
rminate due
t
o GPU s
a
nity ch
e
c
k
errors
commit
|
commitdiff
|
tree
2020-02-26
Szilá
r
d Páll
D
o
cument NVIDIA OpenCL broken on Volta an
d
Turing
commit
|
commitdiff
|
tree
2020-02-26
Szilárd Páll
Remove out
d
ated PME-GPU
l
i
mitation
i
n
u
ser gui
d
e
commit
|
commitdiff
|
tree
2020-02-25
S
zilárd
P
áll
Improve
GPU update tasks assignment consi
s
tency
commit
|
commitdiff
|
tree
2020-02-17
Szilárd
P
áll
Add simulation workload flag for d
i
pole com
p
u
tation
commit
|
commitdiff
|
tree
2020-02-15
Szilár
d
Páll
F
ix gpuudpate
and gpucomm matrix d
o
c
s
commit
|
commitdiff
|
tree
2020-02-11
Szilárd Pá
l
l
Fix
inco
r
rect GPU update task assignment fal
l
back
commit
|
commitdiff
|
tree
2020-02-10
Szilárd
Pá
l
l
Avoid dev flags in
t
ri
g
gering
gpuupdate nigh
t
ly matrix
commit
|
commitdiff
|
tree
2020-02-10
Szilárd
Páll
Av
o
id (r
e
)init
i
alizi
n
g GPU update wit
h
out DD
commit
|
commitdiff
|
tree
2020-02-06
Sz
i
lárd Pá
l
l
Remove mu
_
tot from c
o
m
p
ute_globals()
commit
|
commitdiff
|
tree
2020-01-31
Szilárd Páll
Eliminate the legac
y
Fla
g
s manipulation
in do_force(
)
commit
|
commitdiff
|
tree
2020-01-31
Szilárd Páll
Remove Buffe
r
OpsUseGpu enum
commit
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commitdiff
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tree
2020-01-29
Szi
l
á
r
d
Pál
l
Small i
m
p
r
ovement in Op
e
nCL error hand
l
in
g
commit
|
commitdiff
|
tree
2020-01-24
Szilárd Páll
Add target
f
or o
f
f
l
i
ne PME Open
C
L
compila
t
ion
commit
|
commitdiff
|
tree
2020-01-24
S
zilárd Páll
Fix d
e
adlo
c
k i
n
PP-PME balancing
startup delay
commit
|
commitdiff
|
tree
2020-01-19
Szilá
r
d Páll
Templat
e
X
buffe
r
ops
o
n setFillerCoords
commit
|
commitdiff
|
tree
2020-01-16
Sz
i
lárd
Páll
Fix PME run mode wi
t
hout
PME
commit
|
commitdiff
|
tree
2020-01-10
Szil
á
rd Páll
I
m
p
r
ove
m
dru
n
per
f
o
r
mance
user guide
commit
|
commitdiff
|
tree
2019-12-20
S
z
il
á
rd Pá
l
l
Enable buffe
r
op
s
wh
e
n
GMX_GPU_
D
D_COMMS is set
commit
|
commitdiff
|
tree
2019-12-19
Szilárd Páll
P
P
-PME
load
balancing i
m
pr
o
vements
commit
|
commitdiff
|
tree
2019-12-18
Szilárd Páll
A
l
low x D2H to over
l
ap wit
h
GPU force compute
commit
|
commitdiff
|
tree
2019-12-17
Szilá
r
d P
á
l
l
Comm
e
nt the use o
f
wai
t
C
o
ordinatesC
o
piedT
o
De
v
ice
commit
|
commitdiff
|
tree
2019-12-17
S
zilárd Páll
Add wallcycle counting to S
t
atePropaga
t
orD
a
t
aGpu
commit
|
commitdiff
|
tree
2019-12-16
Szilár
d
Pá
l
l
Fix th
e
GPU bon
d
ed str
e
am with 1 PP +
1
PME rank
commit
|
commitdiff
|
tree
2019-12-12
Szilárd Páll
Al
l
ow overlappin
g
CPU
for
c
e H2D with c
o
mpute
commit
|
commitdiff
|
tree
2019-11-17
Szil
á
rd Páll
T
r
igger ocl_nbnxm_kernels targe
t
w
i
th cla
n
g-tidy
commit
|
commitdiff
|
tree
2019-11-17
Szilárd
P
áll
Fix clang-tidy 8
w
arnings in OpenC
L
nbnxm kernels
commit
|
commitdiff
|
tree
2019-11-03
Sz
i
l
á
rd Páll
Imp
r
ove SimulationWorkload doxygen
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Pá
l
l
R
ename reference checksum ge
n
era
t
ing ta
r
g
e
t
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
Use
"-"
in check
s
u
m-related version suff
i
x
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
Improv
e
wo
r
klo
a
d d
a
ta st
r
uctures'
d
ocs
commit
|
commitdiff
|
tree
2019-10-28
S
z
ilárd Páll
E
x
tend
S
imulationWorkload with CPU
flags
commit
|
commitdiff
|
tree
2019-10-21
S
z
i
l
ár
d
Páll
Remo
v
e u
n
supported conf
i
gs from the
g
p
u
updat
e
matrix
commit
|
commitdiff
|
tree
2019-10-21
Szilá
r
d
P
áll
Overr
i
de GMX_GP
U
_DD_COMMS if n
o
nb
o
ndeds are off
commit
|
commitdiff
|
tree
2019-10-18
Sz
i
lárd Pá
l
l
Add
s
tri
c
t asserti
o
ns on x synch
r
oni
z
er i
n
PME
commit
|
commitdiff
|
tree
2019-10-18
Szil
á
rd Páll
Fix ge
n
ion clang-8 warning
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
Fix clang-ti
d
y warnings in
gpuh
a
loexchang
e
_impl
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
Szilárd P
á
ll
E
l
i
m
in
a
te spurious GPU->CPU copy
commit
|
commitdiff
|
tree
2019-10-17
Szi
l
árd Páll
Di
s
abl
e
GMX_G
P
U
_
PME_PP_COMMS if PME
i
s
not offloaded
commit
|
commitdiff
|
tree
2019-10-16
Sz
i
l
á
r
d Pál
l
F
i
x in
i
tiali
z
ation
o
f field in PME data str
u
cture
commit
|
commitdiff
|
tree
2019-10-16
S
z
ilárd Páll
Make the wait
on nonbonded GP
U
results co
n
ditional
commit
|
commitdiff
|
tree
2019-10-15
Szil
á
rd Pál
l
T
r
igger synchroniz
e
r whe
n
local
f
o
r
ces a
r
e
rea
d
y
commit
|
commitdiff
|
tree
2019-10-15
S
zilá
r
d Páll
Link G
P
U coordinate pro
d
ucer
and
c
onsu
m
er task
s
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Páll
E
na
b
le S
t
atePro
p
agat
o
rGpuData
f
or force transfers
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Páll
M
ove b
u
ffer ops / P
M
E F reduction flags into StepWorkload
commit
|
commitdiff
|
tree
2019-10-10
Szilár
d
Páll
Migrate code to using Simulation
W
o
rkloa
d
flags
commit
|
commitdiff
|
tree
2019-10-10
Szilár
d
Pá
l
l
R
e
mo
v
e
inco
r
rect
GPU
t
ask d
e
pendency
commit
|
commitdiff
|
tree
2019-10-10
Szilá
r
d
Páll
F
i
x conditions for building StatePropa
g
atorDataGpu
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
P
áll
Construct a
struct with devel
o
pment feature fla
g
s
commit
|
commitdiff
|
tree
2019-10-10
Szilá
r
d Páll
Pa
s
s list of Ev
e
ntSy
n
chron
i
zers
to GPU reduc
t
ion
commit
|
commitdiff
|
tree
2019-10-10
Szilá
r
d Páll
Add management for coordinates
copy e
v
ents int
o
S
t
a
t
ePropaga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Szi
l
árd
P
áll
A
dd G
P
U event to mark that
coordinate up
d
ate is d
o
ne
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Páll
M
o
ve PM
E
GPU p
r
ogram building l
a
te
r
commit
|
commitdiff
|
tree
2019-09-30
Szi
l
árd Pá
l
l
Make
the
wait o
n
PME GPU results condition
a
l
commit
|
commitdiff
|
tree
2019-09-27
Szilárd Pá
l
l
Sw
i
tch
GPU
update off
by default
commit
|
commitdiff
|
tree
2019-09-25
Szilárd Pá
l
l
Merge remote-tracki
n
g branch 'origin/re
l
ease-
2
01
9
'
commit
|
commitdiff
|
tree
2019-09-18
S
zilárd
Páll
Set up w
o
rkload data
structures
commit
|
commitdiff
|
tree
2019-09-16
Szil
á
rd Páll
Refactor GPU buf ops-related
launches in do_force
(
)
commit
|
commitdiff
|
tree
2019-09-16
S
z
ilárd Pál
l
Eliminate unnecess
a
ry GPU
s
tr
e
am depend
e
ncy call
commit
|
commitdiff
|
tree
2019-09-13
S
z
ilárd Páll
Fi
x
GPU X buffer ops with empty domain
commit
|
commitdiff
|
tree
2019-09-12
S
z
ilárd Páll
Reorganize on-GPU
P
ME force
reductio
n
flag h
a
ndling
commit
|
commitdiff
|
tree
2019-09-11
S
z
i
lárd Pál
l
Fix gpucomm
m
atrix
commit
|
commitdiff
|
tree
2019-09-10
S
z
ilárd
Pá
l
l
E
li
m
inate raw f
o
rce fl
a
gs in
d
o
_
force_lowlevel
(
)
commit
|
commitdiff
|
tree
2019-09-10
Szil
á
rd Páll
Use t
h
read
-
MPI
i
n
t
he gpucomm
m
atrix
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Páll
A
ssert the types
o
f O
p
enC
L
kernels argu
m
ents
commit
|
commitdiff
|
tree
2019-09-09
Szi
l
árd Pá
l
l
Pas
s
g
m
x
:
:ForceFlags to CPU nbnxm
d
i
s
pa
t
c
h
c
ode
commit
|
commitdiff
|
tree
2019-09-09
Szilárd
P
áll
Pass the new
g
mx::ForceFlags
t
o the nbnxm
m
odu
l
e
commit
|
commitdiff
|
tree
2019-09-06
Szilárd Páll
A
d
d gpuupda
t
e
a
n
d
gpucomm OnDe
m
a
n
d tokens
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Pál
l
Bump A
R
M HP
C
too
l
chain in p
o
st-submit to v
1
9
.
3
commit
|
commitdiff
|
tree
2019-09-04
Szi
l
árd Páll
Add ba
c
k a cl
a
ng-tid
y
exception
commit
|
commitdiff
|
tree
2019-09-04
Szilárd P
á
ll
Centralize more M
D
/force sh
e
d
ule
flags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd
Páll
A
dd cla
n
g-tidy ni
g
htly test with SIMD + OpenCL
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
Move
nonbo
n
ded GPU wait timing
i
n
to th
e
GPU
m
od
u
le
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Páll
clang-tidy
8 fixes f
o
r the GPU ho
s
t code-path
commit
|
commitdiff
|
tree
2019-08-25
S
z
ilárd Páll
Furth
e
r fixes for clang-tidy clang versio
n
8
commit
|
commitdiff
|
tree
2019-08-23
Szilár
d
Páll
Fix
c
l
ang
-
tidy warnin
g
s in the Ope
n
CL build
commit
|
commitdiff
|
tree
2019-08-23
Szilá
r
d Páll
F
i
x clang ti
d
y warn
i
n
g
s
i
n CUDA build
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Pál
l
Bump cl
a
n
g
-
cuda po
s
t-su
b
mit co
m
p
il
e
r/CUDA ve
r
sion
commit
|
commitdiff
|
tree
2019-08-19
Szi
l
árd Pál
l
Swi
t
ch to
A
RM HPC toolchain
v
19
.
2 in
p
o
st-s
u
b
mi
t
commit
|
commitdiff
|
tree
2019-08-19
Sz
i
lárd
Páll
Work
a
rou
n
d clang CUDA device
c
o
de
c
ode
g
e
n
bug
commit
|
commitdiff
|
tree
2019-08-16
Szilár
d
Páll
Fix sim_util
.
cp
p
cop
y
righ
t
header
commit
|
commitdiff
|
tree
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