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Update instructions in containers.rst
2020-11-11
Szilárd Páll
Fix gcc 9 "war
n
ing: ‘unused’ a
t
tribut
e
ign
o
red"
commit
|
commitdiff
|
tree
2020-11-10
Sz
i
lár
d
Páll
GPU
c
o
depath
c
ycle counti
n
g fixes
commit
|
commitdiff
|
tree
2020-11-09
Szilárd Páll
Fix cycle cou
n
ting in StatePr
o
pagatorDa
t
aGpu
commit
|
commitdiff
|
tree
2020-11-03
Szilárd
P
áll
Add
m
issing wallcycle_stop
commit
|
commitdiff
|
tree
2020-10-30
S
z
ilárd
P
áll
Clang format
commit
|
commitdiff
|
tree
2020-10-30
Szi
l
árd
P
á
l
l
Add
f
vec doxygen
commit
|
commitdiff
|
tree
2020-10-30
Szilárd P
á
ll
Fix A
M
D OpenCL float3 array o
p
t
i
mization bug
commit
|
commitdiff
|
tree
2020-10-27
Szil
á
rd Páll
F
i
x clang-tidy v10 warnigns
i
n O
p
enCL
ke
r
nels
commit
|
commitdiff
|
tree
2020-10-24
Szilárd
P
áll
Ex
c
lu
d
e
C
UD
A
10
.
2
a
s wel
l
fro
m
C
+
+
17 compilatio
n
commit
|
commitdiff
|
tree
2020-10-22
Szilárd P
á
ll
Add missing GPU force reductio
n
cycle countin
g
commit
|
commitdiff
|
tree
2020-10-21
Szilárd Páll
A
d
d miss
i
ng cycle cou
n
ting for GPU
h
alo exchan
g
e
calls
commit
|
commitdiff
|
tree
2020-10-20
Szilá
r
d
P
á
l
l
Allow gc
c
-9 on Power
9
commit
|
commitdiff
|
tree
2020-10-09
Szilárd Páll
Fix NBLIB
CMa
k
e
error mess
a
ge
commit
|
commitdiff
|
tree
2020-10-01
Szilárd Pá
l
l
Update mdrun-perform
a
nce
.
rst
commit
|
commitdiff
|
tree
2020-09-24
Szilárd Páll
Improve OpenCL
l
og/error reporting
commit
|
commitdiff
|
tree
2020-09-03
Szi
l
árd
Pál
l
M
ove mixplaced r
e
lease not
e
s en
t
ry
commit
|
commitdiff
|
tree
2020-04-12
S
zi
l
árd Páll
Fix
c
lan
g
10 -Wimpl
i
cit-int-float-conversion w
a
rnings
commit
|
commitdiff
|
tree
2020-03-19
S
z
ilá
r
d Páll
Fix DLB
i
ni
t
ial state
r
epo
r
ti
n
g
commit
|
commitdiff
|
tree
2020-03-11
Szilárd Páll
Reo
r
gani
z
e
d
i
pole calcu
l
ation in do_
f
orce
commit
|
commitdiff
|
tree
2020-02-26
Szilár
d
Páll
Av
o
id mdru
n
term
i
nat
e
due to GPU san
i
ty c
h
eck errors
commit
|
commitdiff
|
tree
2020-02-26
S
z
ilárd Páll
Document NVIDI
A
O
p
enCL
br
o
ken on Volta and
Turing
commit
|
commitdiff
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tree
2020-02-26
Szilárd
Pá
l
l
Re
m
ove
o
ut
d
ated
PME-GP
U
lim
i
tation
in user
g
u
ide
commit
|
commitdiff
|
tree
2020-02-25
Sz
i
l
árd
P
á
ll
Im
p
r
ove GP
U
update
t
as
k
s assignment consist
e
ncy
commit
|
commitdiff
|
tree
2020-02-17
Szilárd Pá
l
l
A
d
d
simulation worklo
a
d flag for dipole compu
t
ation
commit
|
commitdiff
|
tree
2020-02-15
Szilárd Páll
Fix gpuudpate
a
n
d
gpucomm matrix docs
commit
|
commitdiff
|
tree
2020-02-11
S
z
il
á
rd Páll
Fi
x
incorrect G
P
U
u
pdate t
a
sk assignment fal
l
back
commit
|
commitdiff
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tree
2020-02-10
S
z
ilárd Páll
A
void dev flags in triggering gpuupdate nightly matri
x
commit
|
commitdiff
|
tree
2020-02-10
Szilárd Páll
Avoid
(
re)i
n
itia
l
izing GPU
u
pdate without
D
D
commit
|
commitdiff
|
tree
2020-02-06
Szilárd Páll
R
e
move mu_tot from compute_glob
a
ls()
commit
|
commitdiff
|
tree
2020-01-31
S
z
i
lá
r
d
P
á
l
l
Eliminate the legacyFlags manip
u
lation in do_force()
commit
|
commitdiff
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tree
2020-01-31
Szilárd Pá
l
l
Remove Bu
f
fe
r
OpsUseGp
u
e
n
u
m
commit
|
commitdiff
|
tree
2020-01-29
Szilárd Páll
Sm
a
ll
i
mpr
o
v
ement
i
n OpenCL error hand
l
ing
commit
|
commitdiff
|
tree
2020-01-24
Szilár
d
Pá
l
l
Add target for offl
i
ne PME Op
e
nCL
com
p
ilation
commit
|
commitdiff
|
tree
2020-01-24
Sz
i
lárd Pá
l
l
Fix deadlock in P
P
-P
M
E balancing startup delay
commit
|
commitdiff
|
tree
2020-01-19
Szilárd Páll
Te
m
p
l
ate
X buffer ops on set
F
illerCoords
commit
|
commitdiff
|
tree
2020-01-16
Szilárd Páll
Fix
PME
run mode without PM
E
commit
|
commitdiff
|
tree
2020-01-10
S
z
ilárd Páll
Improve mdrun performa
n
ce user
g
u
i
de
commit
|
commitdiff
|
tree
2019-12-20
S
z
i
l
á
r
d Páll
Enable buffer ops when
G
MX_GPU_DD_COMMS is set
commit
|
commitdiff
|
tree
2019-12-19
Szilárd Páll
PP-PME lo
a
d balancing improvements
commit
|
commitdiff
|
tree
2019-12-18
Sz
i
lárd Páll
Allo
w
x D2H to
o
v
e
r
lap with
GPU
fo
r
c
e c
o
mpute
commit
|
commitdiff
|
tree
2019-12-17
Szilárd Páll
Comme
n
t the use of
w
aitCoordinatesCo
p
iedToDevic
e
commit
|
commitdiff
|
tree
2019-12-17
Szilá
r
d Páll
Ad
d
wallcycle counting t
o
St
a
tePropagatorDataGpu
commit
|
commitdiff
|
tree
2019-12-16
Szilárd
P
áll
Fix the GPU bonded stream with 1 P
P
+
1
P
ME rank
commit
|
commitdiff
|
tree
2019-12-12
Szilár
d
Páll
Allow overla
p
ping CPU force H2D with compute
commit
|
commitdiff
|
tree
2019-11-17
Szilárd
P
ál
l
Trigger ocl_n
b
nxm_ker
n
els target w
i
th cl
a
ng-tid
y
commit
|
commitdiff
|
tree
2019-11-17
Sz
i
lár
d
Páll
Fix
clang-tidy 8 warnings in OpenCL nbnxm
k
erne
l
s
commit
|
commitdiff
|
tree
2019-11-03
Sz
i
l
á
r
d P
á
ll
Improve SimulationW
o
rk
l
oad doxygen
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
R
e
name reference
c
h
ecksum gener
a
ti
n
g target
commit
|
commitdiff
|
tree
2019-11-01
Szi
l
árd Páll
U
se "-" in checksum
-
related version su
f
fix
commit
|
commitdiff
|
tree
2019-11-01
S
z
il
á
r
d P
á
ll
Improve
w
orkload d
a
ta
st
r
uctures' do
c
s
commit
|
commitdiff
|
tree
2019-10-28
Szilárd Páll
Exten
d
Simula
t
ionWorkload w
i
th CPU
f
lags
commit
|
commitdiff
|
tree
2019-10-21
Szil
á
rd
Páll
Remove unsupp
o
rted configs from th
e
gpuu
p
date matri
x
commit
|
commitdiff
|
tree
2019-10-21
Szilárd Páll
Override GMX_GPU_
D
D_COMMS if nonbondeds are
o
ff
commit
|
commitdiff
|
tree
2019-10-18
Szilárd P
á
ll
Add strict assert
i
on
s
on x sy
n
chron
i
zer in PME
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Páll
F
ix g
e
n
ion
c
lang-
8
w
a
rning
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
Fix clang-tidy warni
n
gs in
g
p
u
h
a
loexchange
_
impl
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
Eli
m
inate
s
purious
G
PU->CPU copy
commit
|
commitdiff
|
tree
2019-10-17
S
zilárd Páll
Disable GMX_GPU_
P
ME_
P
P_COMMS
i
f PME is
n
ot
o
ffloade
d
commit
|
commitdiff
|
tree
2019-10-16
Szilárd
P
áll
Fix initial
i
zation of field in PME data s
t
ructure
commit
|
commitdiff
|
tree
2019-10-16
Szilár
d
Páll
Make the wait on
n
onbonded GPU r
e
sults conditio
n
al
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
Trigger synchronizer wh
e
n local forces
a
re ready
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
Link GPU coo
r
d
i
nate
producer an
d
c
o
nsumer ta
s
ks
commit
|
commitdiff
|
tree
2019-10-13
S
z
ilárd
Páll
E
n
able StateP
r
opagatorGpuData for force tr
a
nsfers
commit
|
commitdiff
|
tree
2019-10-13
Szilárd P
á
ll
Move buffer ops /
P
ME F reduction flags into StepWo
r
k
l
oad
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
P
áll
Migra
t
e code to
using
SimulationWorkload f
l
a
g
s
commit
|
commitdiff
|
tree
2019-10-10
S
zilárd Páll
Re
m
ove incorrect GPU
t
ask depe
n
dency
commit
|
commitdiff
|
tree
2019-10-10
Szi
l
á
rd
P
áll
Fix condit
i
o
ns
f
or building StatePropaga
t
orDataGpu
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Construct a
s
tru
c
t with
d
evelopme
n
t
fe
a
ture flags
commit
|
commitdiff
|
tree
2019-10-10
S
z
ilár
d
Páll
Pass
l
ist of EventSyn
c
hronizers to GPU re
d
uction
commit
|
commitdiff
|
tree
2019-10-10
S
z
i
lárd
P
á
l
l
Add m
a
nagement for co
o
rdinates copy events into StatePropaga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Szil
á
r
d Páll
Add GPU
event to m
a
r
k
that coordinate upd
a
te is don
e
commit
|
commitdiff
|
tree
2019-09-30
S
z
i
l
á
rd
P
á
ll
Move P
M
E GPU
program
b
uildin
g
later
commit
|
commitdiff
|
tree
2019-09-30
S
z
i
l
árd Páll
Make the wait on PME GPU res
u
lts
conditional
commit
|
commitdiff
|
tree
2019-09-27
Szi
l
árd Páll
S
w
itch
GPU up
d
a
te off by default
commit
|
commitdiff
|
tree
2019-09-25
Szi
l
árd
P
á
l
l
M
e
rge re
m
ote-track
i
ng
branch 'o
r
igi
n
/release
-
2019'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Páll
Set up work
l
oad data st
r
uctur
e
s
commit
|
commitdiff
|
tree
2019-09-16
Szilá
r
d
P
áll
Refa
c
tor G
P
U
b
uf
ops-related la
u
nches in do_force()
commit
|
commitdiff
|
tree
2019-09-16
Szilárd Páll
Eli
m
inate un
n
ecessary G
P
U stre
a
m depend
e
n
c
y call
commit
|
commitdiff
|
tree
2019-09-13
Szi
l
á
r
d Páll
Fix GPU X buffer op
s
with e
m
pty dom
a
in
commit
|
commitdiff
|
tree
2019-09-12
S
zilárd Páll
Reor
g
a
n
i
ze on-GPU
P
ME force redu
c
tion flag
h
andli
n
g
commit
|
commitdiff
|
tree
2019-09-11
Szilárd Pál
l
Fix gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-10
Szil
á
rd Páll
Eliminate raw f
o
rce flags in d
o
_force_lowlevel()
commit
|
commitdiff
|
tree
2019-09-10
Sz
i
lárd
P
áll
Use
t
h
r
ead-MPI i
n
th
e
gpu
c
omm matrix
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Páll
A
ssert th
e
type
s
o
f
OpenCL
k
e
rne
l
s
arguments
commit
|
commitdiff
|
tree
2019-09-09
S
z
il
á
rd Páll
Pas
s
g
mx::ForceFl
a
gs
t
o CPU nbnxm dispatc
h
code
commit
|
commitdiff
|
tree
2019-09-09
Szilá
r
d
Páll
Pass the new g
m
x::ForceFlags
t
o
t
h
e
n
b
nxm module
commit
|
commitdiff
|
tree
2019-09-06
Szilá
r
d P
á
ll
Add gpuupdate
a
nd gpucom
m
OnD
e
m
and tokens
commit
|
commitdiff
|
tree
2019-09-04
Szilár
d
Páll
Bump ARM HPC
to
o
lchain in post-submit to v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
A
dd
b
a
c
k
a
clang-tidy
e
xc
e
ption
commit
|
commitdiff
|
tree
2019-09-04
S
z
il
á
rd
Páll
Centralize
m
ore
M
D/force sh
e
dule flags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Pá
l
l
Add cl
a
ng
-
tidy night
l
y test w
i
th SIMD +
O
penCL
commit
|
commitdiff
|
tree
2019-08-28
S
zilá
r
d Páll
Move nonbo
n
d
ed GPU wait timing
i
nto the GPU module
commit
|
commitdiff
|
tree
2019-08-25
Szi
l
árd
P
áll
clang-t
i
dy 8 fix
e
s
for
th
e
G
PU host
cod
e
-path
commit
|
commitdiff
|
tree
2019-08-25
S
z
ilárd Pá
l
l
Fur
t
her fixes for c
l
an
g
-
t
i
dy
c
lan
g
ve
r
sion
8
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Páll
Fix c
l
ang-tidy
w
arnings in the OpenCL build
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Páll
Fix
clang tidy warnin
g
s i
n
CUDA
bu
i
ld
commit
|
commitdiff
|
tree
2019-08-19
Szil
á
rd Páll
Bump
clang
-
cu
d
a po
s
t
-submit com
p
iler/CUDA version
commit
|
commitdiff
|
tree
2019-08-19
Szilár
d
P
á
ll
Switch
t
o ARM
H
PC to
o
l
c
hai
n
v
19
.
2 in p
o
st-submit
commit
|
commitdiff
|
tree
2019-08-19
Sz
i
l
á
rd Páll
Wor
k
a
r
ound
cla
n
g
C
UD
A
d
e
vice code codegen bug
commit
|
commitdiff
|
tree
2019-08-16
Szilárd Páll
Fix
s
im_u
t
il
.
cpp copyrigh
t
header
commit
|
commitdiff
|
tree
next