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Improve workload data structures' docs
2019-11-01
Szilárd Páll
Impr
o
v
e
workload dat
a
structures' docs
commit
|
commitdiff
|
tree
2019-10-28
Sz
i
lár
d
Páll
Extend
Simu
l
ationWorklo
a
d with CPU f
l
ags
commit
|
commitdiff
|
tree
2019-10-21
Szilárd Páll
Remove unsup
p
orted configs
from t
h
e gpu
u
pdate matrix
commit
|
commitdiff
|
tree
2019-10-21
Szilárd Pál
l
Overri
d
e GMX_GPU_DD
_
C
OMMS
if
nonbondeds are off
commit
|
commitdiff
|
tree
2019-10-18
S
z
ilá
r
d
P
áll
Add stri
c
t assertions on x sync
h
r
onizer in PME
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Páll
Fix
g
enion clang-8 warnin
g
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
Fix clang-tidy warnin
g
s in gpuhaloexch
a
n
ge_impl
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
Szilárd
Pá
l
l
Eliminate spurious G
P
U
-
>CPU c
o
p
y
commit
|
commitdiff
|
tree
2019-10-17
Szil
á
rd Páll
Dis
a
b
l
e
G
MX
_
G
P
U_PM
E
_P
P
_
COMMS i
f
P
ME is not
offloaded
commit
|
commitdiff
|
tree
2019-10-16
Szilárd Pá
l
l
Fix initializat
i
on of fie
l
d in PME
d
ata st
r
ucture
commit
|
commitdiff
|
tree
2019-10-16
S
z
ilárd Páll
Make the wait on nonbon
d
e
d
GPU result
s
conditional
commit
|
commitdiff
|
tree
2019-10-15
S
z
ilárd
Páll
Tri
g
ger
s
y
n
c
hronizer w
h
en local forces
are
ready
commit
|
commitdiff
|
tree
2019-10-15
Szi
l
árd Páll
Link GPU coordinate
produce
r
and consu
m
er tas
k
s
commit
|
commitdiff
|
tree
2019-10-13
Szilárd P
á
l
l
Enabl
e
StatePropa
g
at
o
rGpuData
f
or force
t
r
a
n
sfers
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Páll
Move buffer o
p
s / PME F reduction fla
g
s
i
nto StepWorkload
commit
|
commitdiff
|
tree
2019-10-10
S
z
ilárd
Páll
Migrate code to using S
i
mulati
o
n
Workload flags
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Remove inc
o
rrect GPU ta
s
k depend
e
ncy
commit
|
commitdiff
|
tree
2019-10-10
Szi
l
ár
d
Páll
F
i
x
co
n
d
iti
o
ns for b
u
ildin
g
StatePropa
g
atorDataGpu
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
C
o
n
struct a str
u
ct w
i
th development feature flags
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
Páll
Pass li
s
t of EventSynchron
i
zers to GPU r
e
d
uct
i
on
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Add ma
n
age
m
ent for coordinates copy events into
StateP
r
o
p
a
ga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Szilár
d
Páll
Add GPU event to mark t
h
at
c
oordinat
e
update is done
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Pá
l
l
Move PME GP
U
program build
i
ng la
t
er
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Páll
Ma
k
e the wait
o
n PME GPU results conditional
commit
|
commitdiff
|
tree
2019-09-27
S
z
ilárd
Páll
Switch GPU
update off b
y
de
f
ault
commit
|
commitdiff
|
tree
2019-09-25
Szilárd Pál
l
Merge remote-tracking branch 'origin/release
-
2019'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Páll
Se
t
up workload data structures
commit
|
commitdiff
|
tree
2019-09-16
Szilárd Páll
Refactor GPU buf ops-rela
t
ed launches
i
n do_force()
commit
|
commitdiff
|
tree
2019-09-16
Szilárd
Páll
Eliminate unnecessary GPU stream de
p
endency call
commit
|
commitdiff
|
tree
2019-09-13
Szilárd
P
áll
Fix GP
U
X
b
u
ffer ops with empty dom
a
in
commit
|
commitdiff
|
tree
2019-09-12
Szilárd Páll
Reorga
n
i
z
e on-GPU PME force reduction flag handling
commit
|
commitdiff
|
tree
2019-09-11
Szilárd
Páll
F
i
x gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
Eliminate
r
aw
force flags in d
o
_force
_
lowl
e
v
el()
commit
|
commitdiff
|
tree
2019-09-10
Szi
l
árd Páll
Use th
r
ead-MPI in the gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Pál
l
A
s
s
er
t
t
h
e
t
y
pes of OpenC
L
kernels argume
n
ts
commit
|
commitdiff
|
tree
2019-09-09
Sz
i
lár
d
Páll
P
a
s
s
g
m
x::ForceFlags to CPU
n
bnx
m
dis
p
atc
h
code
commit
|
commitdiff
|
tree
2019-09-09
Szilárd
P
á
ll
Pass the new gmx::F
o
r
ceFlags to the nbnxm
m
odule
commit
|
commitdiff
|
tree
2019-09-06
S
z
ilárd Páll
Add gpuu
p
d
a
t
e a
n
d g
p
ucomm OnD
e
mand
t
okens
commit
|
commitdiff
|
tree
2019-09-04
Szilá
r
d Páll
Bu
m
p ARM HPC toolc
h
ain i
n
p
o
s
t-submit to v1
9
.
3
commit
|
commitdiff
|
tree
2019-09-04
S
zilárd Páll
Add b
a
ck a cla
n
g-tidy exception
commit
|
commitdiff
|
tree
2019-09-04
Szil
á
rd
P
áll
Cen
t
ral
i
ze more MD
/
force shedule
flags
commit
|
commitdiff
|
tree
2019-08-28
S
zi
l
á
r
d Páll
Add clang-tidy nightly
test w
i
th SI
M
D + Ope
n
CL
commit
|
commitdiff
|
tree
2019-08-28
Szi
l
árd
Páll
Move nonbond
e
d G
P
U wait timing into the GPU
m
o
d
ule
commit
|
commitdiff
|
tree
2019-08-25
Szil
á
rd Páll
c
l
ang-tidy 8
f
ixes for the GPU host code-path
commit
|
commitdiff
|
tree
2019-08-25
Szilá
r
d Páll
Fu
r
ther fixes for clang-tid
y
clang ve
r
sion
8
commit
|
commitdiff
|
tree
2019-08-23
Szilá
r
d Páll
F
i
x
c
l
a
n
g-tidy
w
arning
s
in
t
h
e
OpenCL
b
u
ild
commit
|
commitdiff
|
tree
2019-08-23
S
z
i
l
árd Páll
Fix clang
t
idy wa
r
nings i
n
CUDA b
u
ild
commit
|
commitdiff
|
tree
2019-08-19
Szil
á
rd Páll
Bum
p
clang-c
u
d
a
p
ost-submit compiler/CUDA ve
r
sion
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
Switch to ARM HPC
toolchain v19
.
2 in post
-
submit
commit
|
commitdiff
|
tree
2019-08-19
Szi
l
árd Páll
Work
a
rou
n
d clan
g
C
U
DA device
code
c
odege
n
bug
commit
|
commitdiff
|
tree
2019-08-16
Szilá
r
d
Páll
F
i
x
sim_uti
l
.
cpp cop
y
right header
commit
|
commitdiff
|
tree
2019-08-15
Szilárd P
á
ll
Fix
O
penCL ga
t
her reduc
t
i
o
n
commit
|
commitdiff
|
tree
2019-08-12
Szil
á
rd Pál
l
Fix hw
l
oc find pack
a
ge naming and quietness
i
ssues
commit
|
commitdiff
|
tree
2019-07-31
Sz
i
lárd Páll
Store w
c
ycle poi
n
ter in
nonbond
e
d
_
v
e
r
let
_
t
commit
|
commitdiff
|
tree
2019-07-31
S
z
ilá
r
d Pál
l
Fixes for
F buffer ops change
commit
|
commitdiff
|
tree
2019-07-31
Sz
i
lárd Pá
l
l
Move cycle
c
ounting int
o
the GPU bonded module
commit
|
commitdiff
|
tree
2019-07-31
Szil
á
r
d Páll
Repor
t
when
developme
n
t feature flags are use
d
commit
|
commitdiff
|
tree
2019-07-31
Szilárd P
á
l
l
Move end of step
G
PU task launc
h
es
to a function
commit
|
commitdiff
|
tree
2019-07-25
Szilárd Páll
O
nly sto
p
the CUDA
profiler i
f
there are device
s
commit
|
commitdiff
|
tree
2019-07-22
Szilárd P
á
ll
Conditionally pin GPU-related
grid data
commit
|
commitdiff
|
tree
2019-07-11
Szilárd Páll
Use
H
ostVe
c
tor f
o
r Grid/
G
ridSet d
a
ta need on-G
P
U
commit
|
commitdiff
|
tree
2019-07-08
Szil
á
rd Páll
Eliminate a use of double precision in the GPU b
o
n
d
ed
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szilárd Páll
Bump l
a
test CUDA + gcc in the pre-submit matrix
commit
|
commitdiff
|
tree
2019-07-04
S
z
ilárd Páll
Fix a -Wforma
t
-
t
r
uncation war
n
ing i
n
tng
commit
|
commitdiff
|
tree
2019-07-01
Szilárd Páll
Refactor t
r
ackin
g
of
GPU short-
r
ange work/skipping
commit
|
commitdiff
|
tree
2019-06-30
S
z
ilár
d
Páll
C
r
e
a
te dedica
t
ed
s
ubc
o
unter for nonbonded
FEP
commit
|
commitdiff
|
tree
2019-06-28
Szi
l
ár
d
Páll
Separat
e
CP
U
NB kernel and buffe
r
clearing s
u
bcounte
r
s
commit
|
commitdiff
|
tree
2019-06-27
Szilárd Pá
l
l
Remove al
r
ea
d
y
r
eso
l
ved pos
t
-
s
u
b
m
it m
a
trix
TODO
commit
|
commitdiff
|
tree
2019-06-24
Szilárd
P
á
ll
Only use AVX512 in o
w
n-FFTW if GRO
M
ACS also uses it
commit
|
commitdiff
|
tree
2019-06-19
S
zilárd Pá
l
l
Disabl
e
PME GPU
on Appl
e
OpenCL
commit
|
commitdiff
|
tree
2019-05-29
Szilárd Pá
l
l
Te
m
plate x buffer ops call on whether GPU
is used
commit
|
commitdiff
|
tree
2019-05-23
Szilárd Páll
Fix m
u
litpl
e
link ref
s
i
n
dev-manu
a
l
commit
|
commitdiff
|
tree
2019-05-20
Szilár
d
Páll
Improv
e
X
buffer ops
k
ernel
commit
|
commitdiff
|
tree
2019-04-25
S
z
ilárd Páll
Fix clang warning about N
U
L
L
use
commit
|
commitdiff
|
tree
2019-04-25
Szil
á
rd Páll
Av
o
id using
A
t
omLocality::Count as a val
i
d
v
a
lue
commit
|
commitdiff
|
tree
2019-04-24
Szilárd
P
áll
Fix CUDA fallback sh
m
em
g
ather
reduction
commit
|
commitdiff
|
tree
2019-04-18
Szilárd Páll
Fix warnings & consolidate
d
eclarati
o
ns
commit
|
commitdiff
|
tree
2019-04-16
Szi
l
árd Páll
M
ove functions o
p
e
r
a
ting on enerdata out of f
o
r
ce
.
cpp
commit
|
commitdiff
|
tree
2019-04-16
S
z
ilárd Páll
Remove "coarse load bala
n
ci
n
g vars"
f
rom forcerec
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Group scheme related cl
e
an
u
p
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Rem
o
ve Group scheme n
e
ighb
o
r search wrapper
commit
|
commitdiff
|
tree
2019-04-15
Szil
á
rd
P
áll
Ad
d
user guide note on AVX512 t
h
rottle in GPU r
u
ns
commit
|
commitdiff
|
tree
2019-04-05
Szilárd Páll
Reve
r
t
"Temporar
i
ly disable ARM HPC
c
ompiler
i
n post
.
.
.
commit
|
commitdiff
|
tree
2019-04-05
Szilárd Páll
Rev
e
rt "Tem
p
o
r
arily disable
A
RM HP
C
com
p
iler in
p
ost
.
.
.
commit
|
commitdiff
|
tree
2019-04-02
Szi
l
árd Páll
Temporarily disabl
e
ARM
HPC co
m
piler in post-submit
commit
|
commitdiff
|
tree
2019-04-02
Szilárd Páll
Temporarily
d
isab
l
e
AR
M
HPC comp
i
l
e
r
in p
o
st-s
u
bmit
commit
|
commitdiff
|
tree
2019-03-28
S
z
ilárd Páll
B
e
tter documen
t
GMX_OPENMP_MAX_THREADS
commit
|
commitdiff
|
tree
2019-03-26
Sz
i
lár
d
Páll
Skip PBC calculation when t
h
ere are no lis
t
ed for
c
e
s
commit
|
commitdiff
|
tree
2019-03-26
Szi
l
árd
Páll
do_force_cutsVERLET cle
a
nup
commit
|
commitdiff
|
tree
2019-03-21
Szi
l
á
rd Páll
Reorder PB
C
setup in
do_force_lowlevel
commit
|
commitdiff
|
tree
2019-03-13
Szil
á
rd Páll
Reorganize
search-time code
in do
_
force_
c
u
t
sVERLET
commit
|
commitdiff
|
tree
2019-03-13
Szi
l
árd
P
áll
Add hav
e
GpuBondedWork fl
a
g t
o
PpForceW
o
rk
l
oa
d
commit
|
commitdiff
|
tree
2019-03-13
Sz
i
l
á
rd Páll
Start mod
u
larizing force wor
k
load setup
commit
|
commitdiff
|
tree
2019-03-05
Szi
l
ár
d
Pál
l
Relax OpenCL gather kernel barrier on AMD
commit
|
commitdiff
|
tree
2019-03-02
Szilárd Páll
Encapsula
t
e forc
e
output setup in
d
o_
f
orce_*
commit
|
commitdiff
|
tree
2019-03-01
S
zil
á
rd
Páll
Cla
r
ify fo
r
c
e buffe
r
setu
p
c
ode in
do_
f
orce
commit
|
commitdiff
|
tree
2019-02-19
Szilárd Pá
l
l
Disabl
e
i
nstr
u
ction fusion on Power8
commit
|
commitdiff
|
tree
2019-02-17
S
zilárd P
á
ll
Impr
o
ve GPU
ta
r
get
c
om
p
a
tibility erro
r
messa
g
e
commit
|
commitdiff
|
tree
2019-02-15
Szilárd
P
áll
Extend GpuEvent
S
ynchron
i
zer t
o
all
o
w o
n
-device sync
commit
|
commitdiff
|
tree
2019-02-15
Szilárd Páll
Exten
d
performan
c
e
c
o
nsider
a
t
io
n
s on bo
n
ded offload
commit
|
commitdiff
|
tree
next