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Mark HWLOC cmake cache variable as advanced
2020-04-12
Szilárd Páll
Fix clang 10
-
Wi
m
plicit-int
-
float-conversion w
a
rnings
commit
|
commitdiff
|
tree
2020-03-11
Sz
i
lárd
Páll
Reorganize d
i
pole calc
u
l
a
tio
n
i
n do_force
commit
|
commitdiff
|
tree
2020-02-26
Szilárd
Páll
Av
o
i
d
mdrun
t
erm
i
nate d
u
e to GPU san
i
ty c
h
eck e
r
r
o
r
s
commit
|
commitdiff
|
tree
2020-02-26
Szilárd
P
áll
Document N
V
IDIA OpenCL
broken on
V
o
l
ta
and Turing
commit
|
commitdiff
|
tree
2020-02-26
S
zi
l
árd Páll
Remov
e
outda
t
e
d
PME-GPU limitation
in user gui
d
e
commit
|
commitdiff
|
tree
2020-02-25
Sz
i
lá
r
d Páll
I
m
p
r
ove GPU
u
p
date tasks assignme
n
t
c
onsi
s
ten
c
y
commit
|
commitdiff
|
tree
2020-02-17
Szilárd Páll
Add simulat
i
on work
l
oad flag fo
r
di
p
ole computatio
n
commit
|
commitdiff
|
tree
2020-02-15
Szilárd Pál
l
Fix gpuudpate
a
nd gpucomm matrix doc
s
commit
|
commitdiff
|
tree
2020-02-11
Szilárd P
á
ll
F
i
x
incorrect GPU u
p
date
t
ask assignment
fallback
commit
|
commitdiff
|
tree
2020-02-10
Szil
á
r
d
P
á
ll
Avoid dev fla
g
s in triggering gpuupdate night
l
y ma
t
ri
x
commit
|
commitdiff
|
tree
2020-02-10
Szilárd Páll
Avoid
(
re)i
n
itial
i
zi
n
g GPU update
w
i
th
o
ut DD
commit
|
commitdiff
|
tree
2020-02-06
Szil
á
rd Páll
Remove
m
u
_
tot from
comput
e
_
g
lobal
s
()
commit
|
commitdiff
|
tree
2020-01-31
Szilárd Pá
l
l
Eli
m
inate the legacyFlags manipulation
in
d
o_f
o
rce()
commit
|
commitdiff
|
tree
2020-01-31
S
z
ilárd Páll
Remove
BufferOpsUseGpu
enum
commit
|
commitdiff
|
tree
2020-01-29
Szi
l
árd P
á
ll
Small improvement in OpenCL
error handling
commit
|
commitdiff
|
tree
2020-01-24
Szilárd Páll
Add target for
offl
i
ne PM
E
OpenCL c
o
mpilation
commit
|
commitdiff
|
tree
2020-01-24
Szilá
r
d Páll
Fix deadlock in PP-PME bala
n
cing startu
p
delay
commit
|
commitdiff
|
tree
2020-01-19
Szilárd Páll
Template X
b
u
f
fer ops on
setFillerC
o
ords
commit
|
commitdiff
|
tree
2020-01-16
Szi
l
árd P
á
ll
Fix
P
ME run mode wi
t
hout PME
commit
|
commitdiff
|
tree
2020-01-10
Szilá
r
d Páll
Improve
m
drun perfo
r
mance user gui
d
e
commit
|
commitdiff
|
tree
2019-12-20
S
zi
l
árd Páll
Enable buffer op
s
when
G
M
X
_GPU_DD_COMM
S
is set
commit
|
commitdiff
|
tree
2019-12-19
Szilárd Páll
PP-PME
load b
a
lancing improve
m
en
t
s
commit
|
commitdiff
|
tree
2019-12-18
Szilárd Pá
l
l
All
o
w x D2H to overlap with GPU
f
o
rce
c
omput
e
commit
|
commitdiff
|
tree
2019-12-17
S
zilárd Pál
l
Comment the use of w
a
itC
o
ordinatesCopi
e
d
T
oD
e
vice
commit
|
commitdiff
|
tree
2019-12-17
S
z
i
lá
r
d P
á
ll
A
d
d
w
allcycle counting to StatePropagatorDataGpu
commit
|
commitdiff
|
tree
2019-12-16
Szilárd Páll
Fix
t
he GPU bonded stream with
1
PP +
1
PME rank
commit
|
commitdiff
|
tree
2019-12-12
Szi
l
árd Páll
Allow overl
a
pping CPU force
H
2
D
with compute
commit
|
commitdiff
|
tree
2019-11-17
Szilá
r
d Páll
T
r
igger o
c
l_nbnxm_kernels ta
r
get
w
ith clang-tidy
commit
|
commitdiff
|
tree
2019-11-17
Szilárd Páll
Fix clang-tidy 8 warnings in OpenCL nbnxm kernels
commit
|
commitdiff
|
tree
2019-11-03
S
zilárd
P
áll
Impr
o
ve SimulationWorkloa
d
do
x
ygen
commit
|
commitdiff
|
tree
2019-11-01
Sz
i
lá
r
d P
á
ll
Rename refer
e
nce checksum ge
n
erating target
commit
|
commitdiff
|
tree
2019-11-01
S
zilárd
P
ál
l
Use "-" in checksum-related vers
i
on s
u
ffix
commit
|
commitdiff
|
tree
2019-11-01
Sz
i
lá
r
d Páll
Im
p
rov
e
wo
r
kload data struc
t
ures'
docs
commit
|
commitdiff
|
tree
2019-10-28
Sz
i
lárd Páll
Extend S
i
mulatio
n
Workload with CPU flags
commit
|
commitdiff
|
tree
2019-10-21
S
z
ilárd
Páll
R
e
move unsupporte
d
configs f
r
om the gpuup
d
ate matrix
commit
|
commitdiff
|
tree
2019-10-21
Szilárd Páll
Override GMX_GPU_DD
_
COMMS if
nonbondeds
are off
commit
|
commitdiff
|
tree
2019-10-18
Szilá
r
d
Páll
A
d
d strict assertio
n
s on x s
y
nchronizer in PME
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Páll
Fix
genion clang-8
w
arn
i
n
g
commit
|
commitdiff
|
tree
2019-10-17
S
z
i
l
árd P
á
ll
Fi
x
clang-tid
y
w
ar
n
i
ngs
in gpuhaloexchange_impl
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
Szilá
r
d Páll
Elimin
a
te spurio
u
s GPU->CPU
copy
commit
|
commitdiff
|
tree
2019-10-17
Szilár
d
Páll
D
i
sable GMX_GPU_PME_PP_CO
M
MS if PME i
s
not offload
e
d
commit
|
commitdiff
|
tree
2019-10-16
Szilá
r
d P
á
l
l
Fix init
i
a
lization of
f
ield in PME d
a
ta structure
commit
|
commitdiff
|
tree
2019-10-16
S
zil
á
rd Páll
Make the wait on no
n
bo
n
ded
GPU
r
e
s
ults
c
o
ndi
t
iona
l
commit
|
commitdiff
|
tree
2019-10-15
Szi
l
árd Pál
l
Trigge
r
synchronizer when
local forces are
r
eady
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
Link GPU
c
oordinate pr
o
duce
r
and consum
e
r
t
a
s
ks
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Páll
E
n
a
b
le StateP
r
opa
g
atorGpuData for
f
orce tr
a
n
sfers
commit
|
commitdiff
|
tree
2019-10-13
Szil
á
r
d
Páll
Move
b
u
f
f
e
r ops /
P
ME F
r
eduction flags
i
nto S
t
epWork
l
oad
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Migrate code to using Simu
l
ationWorkload
f
lags
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
Páll
Remove in
c
orrect GPU tas
k
dependen
c
y
commit
|
commitdiff
|
tree
2019-10-10
Szi
l
árd
Páll
Fix conditions for buil
d
ing StatePropag
a
torDataGpu
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Constru
c
t a struct
wit
h
devel
o
p
m
ent f
e
a
t
u
re flags
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
P
ál
l
P
a
ss
l
ist
o
f Event
S
ynch
r
onizers
to
G
PU
r
e
duc
t
ion
commit
|
commitdiff
|
tree
2019-10-10
Szil
á
rd
P
áll
A
d
d
manage
m
ent for coordina
t
es copy events into State
P
ropaga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Szilá
r
d Páll
A
dd
G
P
U
e
v
e
n
t to mark that coordin
a
t
e
update is
d
one
commit
|
commitdiff
|
tree
2019-09-30
Szi
l
á
r
d P
á
ll
Move PME GPU
pro
g
r
a
m bu
i
lding
later
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Páll
Make t
h
e
wait on PME GPU result
s
conditional
commit
|
commitdiff
|
tree
2019-09-27
Szilárd Páll
Switch
GPU
u
p
date off by default
commit
|
commitdiff
|
tree
2019-09-25
Sz
i
lárd Páll
Merge r
e
m
o
te-tracking bra
n
ch
'
origi
n
/
r
elease-20
1
9'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Páll
S
et up
work
l
oad dat
a
st
r
uctures
commit
|
commitdiff
|
tree
2019-09-16
S
zilárd Páll
Re
f
actor GPU buf
o
ps
-
re
l
at
e
d laun
c
h
es
i
n do_force()
commit
|
commitdiff
|
tree
2019-09-16
Szilárd Páll
Eliminate unnecessary
GPU
str
e
am de
p
endency ca
l
l
commit
|
commitdiff
|
tree
2019-09-13
S
zilár
d
Pál
l
Fix
G
PU X b
u
ffer ops with empty do
m
ain
commit
|
commitdiff
|
tree
2019-09-12
S
zi
l
á
r
d
Páll
R
e
or
g
anize o
n
-GPU PME for
c
e redu
c
tion f
l
ag hand
l
ing
commit
|
commitdiff
|
tree
2019-09-11
Sz
i
lár
d
Páll
Fix gpucomm
matrix
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
Eliminate raw force f
l
a
g
s
in do
_
force_l
o
wl
e
vel()
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
Use thread
-
MPI in
t
h
e
gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-09
S
zilárd Páll
A
s
se
r
t
the type
s
o
f
O
penCL kernels a
r
gument
s
commit
|
commitdiff
|
tree
2019-09-09
S
zilárd Páll
Pass gmx::For
c
eFlags to CPU nbnx
m
dispat
c
h code
commit
|
commitdiff
|
tree
2019-09-09
Szilá
r
d Páll
Pass the new
g
m
x
::ForceFlags to th
e
nbnxm module
commit
|
commitdiff
|
tree
2019-09-06
Szilárd Páll
Add gpuupdate and gpu
c
omm
OnDem
a
n
d
tokens
commit
|
commitdiff
|
tree
2019-09-04
Szilár
d
Páll
B
ump ARM HP
C
toolcha
i
n in post-submi
t
to
v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
S
z
il
á
rd Pál
l
Add back
a clang-tid
y
exception
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Pál
l
Centralize
more MD/force shedule flags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd
Páll
Add c
l
a
n
g-tidy
n
ig
h
tly te
s
t with SIMD + O
p
enCL
commit
|
commitdiff
|
tree
2019-08-28
S
zilá
r
d Páll
Move
non
b
onded GPU
w
a
i
t
timi
n
g i
n
to
the GPU module
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Páll
cla
n
g-tidy
8
fixes
fo
r
the GPU host code-path
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Páll
Further fixes
f
or clang-tidy
c
l
a
n
g
versi
o
n 8
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Pál
l
Fix clang-tidy
war
n
ings in
the
O
p
enCL build
commit
|
commitdiff
|
tree
2019-08-23
Szi
l
árd Páll
Fi
x
clan
g
tidy
w
arnings in CUDA build
commit
|
commitdiff
|
tree
2019-08-19
Szilárd
P
á
ll
Bump cl
a
ng-cuda po
s
t-su
b
mit c
o
mpiler/CUDA version
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
Switch to ARM H
P
C toolchain v19
.
2 in post-
s
ubmit
commit
|
commitdiff
|
tree
2019-08-19
Szi
l
árd
Páll
W
o
r
k aro
u
nd clang CUD
A
dev
i
c
e
c
o
d
e
codegen bug
commit
|
commitdiff
|
tree
2019-08-16
Szilárd Páll
Fix sim_util
.
cpp copyri
g
ht header
commit
|
commitdiff
|
tree
2019-08-15
Szilárd Páll
Fix
OpenCL gather re
d
uction
commit
|
commitdiff
|
tree
2019-08-12
Sz
i
lárd Páll
Fix
h
wl
o
c find
package
n
amin
g
and quietness issu
e
s
commit
|
commitdiff
|
tree
2019-07-31
Szilár
d
Páll
Sto
r
e w
c
yc
l
e p
o
inter in non
b
onde
d
_
verlet_t
commit
|
commitdiff
|
tree
2019-07-31
S
z
ilárd Páll
F
i
xes
f
or F
b
u
ffer ops change
commit
|
commitdiff
|
tree
2019-07-31
S
z
ilárd Páll
Move cyc
l
e counting
into the
GPU
b
o
nded module
commit
|
commitdiff
|
tree
2019-07-31
Szi
l
árd Páll
Report wh
e
n dev
e
lopmen
t
featu
r
e
flags are used
commit
|
commitdiff
|
tree
2019-07-31
S
z
ilá
r
d Páll
Move end
o
f
step GPU t
a
sk launches to a
f
un
c
tion
commit
|
commitdiff
|
tree
2019-07-25
Szilárd Pál
l
Only stop the CUDA pro
f
iler if ther
e
ar
e
d
e
vices
commit
|
commitdiff
|
tree
2019-07-22
S
z
i
l
árd Páll
Conditiona
l
ly pin GPU-
r
ela
t
ed
g
rid data
commit
|
commitdiff
|
tree
2019-07-11
S
zilárd P
á
ll
U
s
e Host
V
ector for
Grid/GridSet dat
a
need on-
G
PU
commit
|
commitdiff
|
tree
2019-07-08
Szilárd Pá
l
l
El
i
minate a use of
double precisi
o
n in the GPU bonded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szilárd Páll
Bump la
t
est C
U
DA + g
c
c i
n
the
p
re-s
u
bmi
t
matrix
commit
|
commitdiff
|
tree
2019-07-04
Szi
l
árd Pál
l
Fi
x
a -Wf
o
r
m
a
t
-truncatio
n
warning i
n
tng
commit
|
commitdiff
|
tree
2019-07-01
Szilá
r
d
Páll
Refactor tracking of GPU shor
t
-ra
n
ge work/skip
p
ing
commit
|
commitdiff
|
tree
2019-06-30
S
z
i
l
ár
d
Pál
l
Create dedicated sub
c
ount
e
r
for n
o
nbonded FEP
commit
|
commitdiff
|
tree
2019-06-28
Szilárd Páll
Separate CPU
NB kernel
and buf
f
er clearing subcounters
commit
|
commitdiff
|
tree
2019-06-27
Szilárd Páll
R
e
move
already resolved
p
ost-submit matrix TODO
commit
|
commitdiff
|
tree
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