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Improve workload data structures' docs
2019-11-01
Szilárd P
á
ll
Improve workl
o
ad data s
t
ructures' docs
commit
|
commitdiff
|
tree
2019-10-28
S
z
ilárd
P
áll
Extend SimulationWor
k
load with C
P
U f
l
ags
commit
|
commitdiff
|
tree
2019-10-21
Szilárd
P
á
l
l
Re
m
ove u
n
support
e
d
co
n
fi
g
s from the gpuupd
a
te
m
a
trix
commit
|
commitdiff
|
tree
2019-10-21
S
zilárd Páll
Ov
e
rride GMX_GPU_DD_COMM
S
if non
b
ondeds a
r
e off
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Pá
l
l
Add strict as
s
ertions on x synchronizer in
P
ME
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Páll
Fix genion clang-8
w
ar
n
ing
commit
|
commitdiff
|
tree
2019-10-17
Sz
i
lárd Páll
Fix
clang-
t
i
dy war
n
ings in gpuhaloexc
h
ange_i
m
pl
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
Elimina
t
e s
p
urious GPU->CPU copy
commit
|
commitdiff
|
tree
2019-10-17
Szilárd
P
áll
Disable GMX_GP
U
_PME_PP_COMMS if P
M
E is n
o
t
o
f
f
l
oaded
commit
|
commitdiff
|
tree
2019-10-16
Szilárd Páll
F
ix i
n
i
t
i
a
lization of field in PME dat
a
s
t
ructure
commit
|
commitdiff
|
tree
2019-10-16
Sz
i
lárd Páll
Make
t
he wait on nonbonded
G
PU result
s
conditional
commit
|
commitdiff
|
tree
2019-10-15
Szi
l
árd Páll
Trigg
e
r
synch
r
oni
z
er when
l
oca
l
forces are ready
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
Link GPU coordinate producer
a
nd consumer tasks
commit
|
commitdiff
|
tree
2019-10-13
Szil
á
rd P
á
ll
Enable S
t
atePropagator
G
puData
for f
o
r
ce tran
s
fe
r
s
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Páll
M
o
v
e
buffer ops / PME F red
u
ction flags into StepWorkload
commit
|
commitdiff
|
tree
2019-10-10
S
zilárd Páll
Mi
g
r
a
t
e code
t
o usin
g
SimulationW
o
rkload flags
commit
|
commitdiff
|
tree
2019-10-10
S
zilárd Páll
Remove in
c
orrect GPU task
de
p
e
n
d
ency
commit
|
commitdiff
|
tree
2019-10-10
Sz
i
lárd Páll
Fix conditio
n
s
for building StatePropagatorDataGpu
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
P
áll
C
o
nstruct
a
st
r
uct with d
e
velopment feat
u
re fla
g
s
commit
|
commitdiff
|
tree
2019-10-10
Szil
á
rd
P
áll
Pa
s
s list of Even
t
Synchroni
z
ers to GPU reduct
i
on
commit
|
commitdiff
|
tree
2019-10-10
S
zilárd Páll
Add man
a
ge
m
ent for coordinates copy ev
e
nts into
S
t
a
tePr
o
paga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Sz
i
l
árd P
á
l
l
Ad
d
GPU even
t
to mark that coordinate
update is don
e
commit
|
commitdiff
|
tree
2019-09-30
Sz
i
lárd Pá
l
l
Move PME GPU progr
a
m building later
commit
|
commitdiff
|
tree
2019-09-30
Szi
l
ár
d
Páll
Make
t
he wait on
PME GPU
results co
n
diti
o
nal
commit
|
commitdiff
|
tree
2019-09-27
Szilá
r
d
P
ál
l
Switch
G
PU upd
a
te off by default
commit
|
commitdiff
|
tree
2019-09-25
S
zil
á
rd
P
áll
Merge remote-trackin
g
branch 'origin/release-2019'
commit
|
commitdiff
|
tree
2019-09-18
Szilá
r
d
P
áll
S
et up
w
o
r
k
load
d
ata str
u
ctures
commit
|
commitdiff
|
tree
2019-09-16
Szil
á
rd Páll
R
e
facto
r
G
PU buf
ops-rel
a
ted launches
i
n
do_fo
r
ce()
commit
|
commitdiff
|
tree
2019-09-16
Sz
i
lárd Páll
Elimina
t
e unnecessary GP
U
stream dependency call
commit
|
commitdiff
|
tree
2019-09-13
Szilárd Pál
l
Fix GPU X
b
uffer ops wit
h
empty domain
commit
|
commitdiff
|
tree
2019-09-12
Szilárd Páll
R
e
organ
i
z
e on
-
GPU PME force reductio
n
flag handling
commit
|
commitdiff
|
tree
2019-09-11
Szil
á
rd Páll
Fix
gpucomm m
a
trix
commit
|
commitdiff
|
tree
2019-09-10
Sz
i
lá
r
d
Páll
Eliminate raw force flags
in do_for
c
e_lowlevel(
)
commit
|
commitdiff
|
tree
2019-09-10
S
zilárd
P
áll
Use
th
r
e
ad-MPI in the
g
p
ucomm m
a
trix
commit
|
commitdiff
|
tree
2019-09-09
S
zilárd
Páll
A
sse
r
t th
e
types of Ope
n
CL kernels arguments
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Páll
Pass gmx:
:
ForceFlags
t
o CPU nb
n
xm disp
a
tch c
o
de
commit
|
commitdiff
|
tree
2019-09-09
Szilárd P
á
ll
Pass th
e
new gm
x
::Forc
e
Fl
a
g
s
to the n
b
nx
m
m
odule
commit
|
commitdiff
|
tree
2019-09-06
Szilárd Páll
Add gpuupdate an
d
gpucomm
On
D
emand tokens
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Bump ARM
HPC
t
oolchain in po
s
t-submit t
o
v
1
9
.
3
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Add back a clang
-
tidy e
x
c
eption
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Central
i
ze more MD/force shedule flags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd
Páll
Add
clang-tid
y
nig
h
t
ly test with SIMD + OpenCL
commit
|
commitdiff
|
tree
2019-08-28
S
z
ilár
d
Pá
l
l
Move nonbonded GP
U
w
a
it timing into the GPU module
commit
|
commitdiff
|
tree
2019-08-25
S
z
ilárd
Páll
cl
a
n
g-tidy 8 fixes
f
or the GPU host code-path
commit
|
commitdiff
|
tree
2019-08-25
Szi
l
árd
Páll
Further fixes for clang-tidy clang
version 8
commit
|
commitdiff
|
tree
2019-08-23
Szil
á
rd Páll
Fi
x
cl
a
ng-
t
idy warni
n
gs in the O
p
enCL build
commit
|
commitdiff
|
tree
2019-08-23
Szilárd
P
ál
l
F
i
x clang
t
idy warn
i
ngs
i
n CUDA build
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
Bu
m
p
cl
a
ng-c
u
da post-su
b
m
i
t
com
p
iler/CUDA versio
n
commit
|
commitdiff
|
tree
2019-08-19
Szilár
d
P
á
ll
Switch to ARM HPC toolchain v
1
9
.
2 in post-s
u
bmit
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Pá
l
l
Work around cl
a
ng CUDA de
v
ice code codegen bug
commit
|
commitdiff
|
tree
2019-08-16
Szi
l
árd
P
áll
Fi
x
si
m
_util
.
c
p
p copyright
he
a
der
commit
|
commitdiff
|
tree
2019-08-15
Sz
i
lár
d
Páll
Fix Ope
n
C
L
gathe
r
reductio
n
commit
|
commitdiff
|
tree
2019-08-12
Szilárd Pá
l
l
Fix
hw
l
oc find package nami
n
g and quietness iss
u
es
commit
|
commitdiff
|
tree
2019-07-31
S
z
il
á
rd Páll
Store wcycle
p
o
inte
r
in
nonb
o
n
ded_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Fixes f
o
r
F buffer o
p
s change
commit
|
commitdiff
|
tree
2019-07-31
Szi
l
árd
Páll
Move
cycle counting into the GPU b
o
n
d
ed
m
odule
commit
|
commitdiff
|
tree
2019-07-31
Szi
l
árd Pál
l
Report w
h
en developme
n
t feature flags are u
s
ed
commit
|
commitdiff
|
tree
2019-07-31
S
zi
l
á
rd Páll
Move end
of s
t
ep GPU task laun
c
hes to
a
f
unction
commit
|
commitdiff
|
tree
2019-07-25
Szilárd Páll
O
nly stop the CUDA profiler if
t
h
e
re are device
s
commit
|
commitdiff
|
tree
2019-07-22
Szilá
r
d Páll
C
o
ndition
a
lly
p
in GPU-related g
r
id
dat
a
commit
|
commitdiff
|
tree
2019-07-11
S
z
i
l
árd P
á
ll
Use
Ho
s
tVect
o
r f
o
r Grid/GridSet data need on
-
GPU
commit
|
commitdiff
|
tree
2019-07-08
Szilárd Páll
Eliminate
a use of
d
ouble precision in the GP
U
bonded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szilárd P
á
ll
B
u
mp
l
a
t
est CUDA + g
c
c
i
n the pre-su
b
mit matrix
commit
|
commitdiff
|
tree
2019-07-04
Szilár
d
Páll
F
ix a -Wformat-t
r
uncation warni
n
g i
n
tn
g
commit
|
commitdiff
|
tree
2019-07-01
Szi
l
árd Páll
Refact
o
r tr
a
c
k
ing of GPU short-range
work/ski
p
ping
commit
|
commitdiff
|
tree
2019-06-30
Szilár
d
Pál
l
Cr
e
a
t
e d
e
dicate
d
subcoun
t
er for nonbonded
F
EP
commit
|
commitdiff
|
tree
2019-06-28
Szilárd Páll
Separa
t
e
C
PU
NB k
e
rn
e
l
a
nd buffer cle
a
r
i
ng subcounters
commit
|
commitdiff
|
tree
2019-06-27
S
z
ilá
r
d P
á
ll
Rem
o
ve
a
lready resolved
pos
t
-su
b
mit matrix TODO
commit
|
commitdiff
|
tree
2019-06-24
S
z
i
lárd Páll
Only use AVX
5
1
2
in own-FFTW if GROM
A
C
S also uses it
commit
|
commitdiff
|
tree
2019-06-19
Szi
l
árd P
á
ll
Disab
l
e PME GPU on Apple O
p
e
n
CL
commit
|
commitdiff
|
tree
2019-05-29
Szilárd Páll
Template x
b
uffer
o
p
s c
a
ll on whe
t
her G
P
U i
s
used
commit
|
commitdiff
|
tree
2019-05-23
Szilárd Páll
Fix mulitple link ref
s
i
n
dev-ma
n
ual
commit
|
commitdiff
|
tree
2019-05-20
Sz
i
lárd
Páll
Improve X buffer ops kernel
commit
|
commitdiff
|
tree
2019-04-25
Szilárd
P
áll
Fix clang
warning about NULL u
s
e
commit
|
commitdiff
|
tree
2019-04-25
S
z
i
lárd Páll
Avoid us
i
ng AtomLocal
i
t
y
:
:C
o
unt a
s
a valid
v
alue
commit
|
commitdiff
|
tree
2019-04-24
Szil
á
rd
P
áll
Fix CUDA fallb
a
ck shmem gather reduct
i
on
commit
|
commitdiff
|
tree
2019-04-18
Szilárd
P
á
ll
Fix warnings & consolida
t
e de
c
lar
a
t
io
n
s
commit
|
commitdiff
|
tree
2019-04-16
Szil
á
rd Páll
Move fun
c
tions ope
r
atin
g
on ene
r
d
ata out of force
.
cpp
commit
|
commitdiff
|
tree
2019-04-16
Szilárd P
á
ll
Re
m
ove "coarse lo
a
d b
a
lanc
i
ng vars
"
from force
r
ec
commit
|
commitdiff
|
tree
2019-04-16
Szilárd
Páll
Grou
p
sche
m
e
rel
a
ted c
l
e
a
nup
commit
|
commitdiff
|
tree
2019-04-16
Szilárd P
á
ll
Re
m
o
v
e
Gro
u
p sc
h
eme n
e
igh
b
or se
a
rch w
r
app
e
r
commit
|
commitdiff
|
tree
2019-04-15
Szilárd Páll
Add us
e
r guide note on AVX512 throttle in GPU
runs
commit
|
commitdiff
|
tree
2019-04-05
Szilár
d
Páll
Revert "Tem
p
orarily disable ARM
H
PC compiler in post
.
.
.
commit
|
commitdiff
|
tree
2019-04-05
Szilá
r
d
P
ál
l
Revert "Tempo
r
a
r
i
ly disable ARM HPC compiler in post
.
.
.
commit
|
commitdiff
|
tree
2019-04-02
Szi
l
árd Pá
l
l
T
e
mpora
r
ily
d
i
s
able
A
RM HPC compiler in post-submit
commit
|
commitdiff
|
tree
2019-04-02
Szilárd Páll
Temporarily d
i
s
a
ble
A
RM HPC compiler in post-
s
ubmit
commit
|
commitdiff
|
tree
2019-03-28
Szilárd Páll
Better docu
m
ent
G
M
X
_O
P
E
NMP_MAX_THREADS
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Pá
l
l
Skip
PBC
cal
c
u
l
ation
w
h
e
n
t
h
er
e
are no liste
d
forces
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Páll
do_forc
e
_cutsVE
R
LE
T
cl
e
anup
commit
|
commitdiff
|
tree
2019-03-21
Szilárd Páll
Reord
e
r
PBC
s
etu
p
in do_force_lowlev
e
l
commit
|
commitdiff
|
tree
2019-03-13
Szilárd Páll
Reorganize search-
t
ime code
i
n
do_force_c
u
tsVERLET
commit
|
commitdiff
|
tree
2019-03-13
Szilá
r
d Páll
Add
hav
e
GpuBond
e
dWork flag to
P
pForceW
o
rkload
commit
|
commitdiff
|
tree
2019-03-13
Szilárd
P
áll
Start modula
r
izin
g
force workload setup
commit
|
commitdiff
|
tree
2019-03-05
Szilár
d
Páll
R
elax
OpenCL gather kern
e
l barrier on AMD
commit
|
commitdiff
|
tree
2019-03-02
Szil
á
rd P
á
ll
Encapsulate forc
e
o
u
tput setup i
n
do_force_*
commit
|
commitdiff
|
tree
2019-03-01
Szilárd Páll
Cla
r
ify f
o
rce buffer se
t
up code
in
do_
f
orce
commit
|
commitdiff
|
tree
2019-02-19
S
z
il
á
rd Páll
Disa
b
le instruc
t
ion fusion
o
n
Power
8
commit
|
commitdiff
|
tree
2019-02-17
Szil
á
r
d Páll
Improve GPU targ
e
t compatibility
error mes
s
ag
e
commit
|
commitdiff
|
tree
2019-02-15
S
z
ilárd Páll
Extend GpuEventSynchroniz
e
r to al
l
ow
o
n-devi
c
e sync
commit
|
commitdiff
|
tree
2019-02-15
Szi
l
árd
P
á
ll
Extend perf
o
rmance consi
d
era
t
ions on b
o
nded offload
commit
|
commitdiff
|
tree
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