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Avoid parsing of fatalerror.cpp as lint failure
2020-04-12
Szilárd Páll
Fix
clang 10 -Wi
m
p
l
i
c
it-in
t
-float-conver
s
ion
warnings
commit
|
commitdiff
|
tree
2020-03-19
Szilárd P
á
ll
Fix DLB init
i
al state repo
r
ting
commit
|
commitdiff
|
tree
2020-03-11
Szilárd Páll
Reorganize dipole calculation in do_force
commit
|
commitdiff
|
tree
2020-02-26
S
zilárd
Páll
A
voi
d
md
r
un t
e
rmina
t
e due to GPU sani
t
y check e
r
rors
commit
|
commitdiff
|
tree
2020-02-26
Szil
á
rd P
á
ll
D
o
c
u
ment NVIDIA
O
pen
C
L
b
roken on Vo
l
ta and Turi
n
g
commit
|
commitdiff
|
tree
2020-02-26
Szilárd
P
áll
Remove outdat
e
d PME-GPU
l
imi
t
a
t
i
on
i
n user
g
u
i
de
commit
|
commitdiff
|
tree
2020-02-25
Szilárd Páll
Impro
v
e GPU update
t
a
sks
a
s
s
i
g
nme
n
t
c
onsistency
commit
|
commitdiff
|
tree
2020-02-17
S
zilárd Pá
l
l
Add simulatio
n
work
l
o
ad flag fo
r
dipol
e
computation
commit
|
commitdiff
|
tree
2020-02-15
Szilár
d
Páll
Fix gpuu
d
p
a
te and gpucomm matrix do
c
s
commit
|
commitdiff
|
tree
2020-02-11
Szilárd Páll
Fix
i
ncorrect GPU update task assignment
fallback
commit
|
commitdiff
|
tree
2020-02-10
Sz
i
lárd Páll
Avoid dev flags
i
n triggeri
n
g gpuupdate nightly matrix
commit
|
commitdiff
|
tree
2020-02-10
Szi
l
á
r
d Páll
Av
o
id (
r
e)i
n
i
t
i
a
lizing GPU
u
pdate withou
t
D
D
commit
|
commitdiff
|
tree
2020-02-06
Sz
i
lárd Páll
Remove mu_
t
ot from com
p
u
te
_
globals()
commit
|
commitdiff
|
tree
2020-01-31
S
z
ilárd Páll
Elimina
t
e the legacyFlags manipul
a
tion in do_force(
)
commit
|
commitdiff
|
tree
2020-01-31
S
zil
á
rd
P
áll
Remove BufferOp
s
UseGpu enum
commit
|
commitdiff
|
tree
2020-01-29
Szilárd Páll
Small i
m
p
rovement in O
p
e
n
CL error handling
commit
|
commitdiff
|
tree
2020-01-24
Szilárd
Páll
Add target
for offline PME
O
pen
C
L compilation
commit
|
commitdiff
|
tree
2020-01-24
Szil
á
rd Páll
Fix deadlock in
P
P-
P
M
E bal
a
nc
i
ng startup d
e
lay
commit
|
commitdiff
|
tree
2020-01-19
Szilárd Páll
Template X buffer ops on setFillerC
o
ords
commit
|
commitdiff
|
tree
2020-01-16
S
z
ilár
d
Páll
Fix
P
ME run mode wi
t
ho
u
t
P
M
E
commit
|
commitdiff
|
tree
2020-01-10
Szilárd Páll
Imp
r
o
v
e mdrun
p
erf
o
rmance user guide
commit
|
commitdiff
|
tree
2019-12-20
Szilárd
P
áll
Ena
b
le buffer ops when GMX_GPU_D
D
_COMMS
i
s
s
et
commit
|
commitdiff
|
tree
2019-12-19
Szilá
r
d Páll
PP-P
M
E loa
d
balancing improve
m
ents
commit
|
commitdiff
|
tree
2019-12-18
Sz
i
lárd Pál
l
Allow
x
D2H t
o
overlap with GPU force
compute
commit
|
commitdiff
|
tree
2019-12-17
Szilárd Páll
Co
m
ment
the
use of wait
C
oordin
a
tesCopiedToDevice
commit
|
commitdiff
|
tree
2019-12-17
Szilá
r
d Páll
Add wallcycle co
u
n
ting
to Sta
t
e
P
ropagatorDataGpu
commit
|
commitdiff
|
tree
2019-12-16
Szilár
d
Páll
Fi
x
the
GPU bonded str
e
a
m
w
ith 1 PP + 1
P
ME ra
n
k
commit
|
commitdiff
|
tree
2019-12-12
Szilá
r
d Páll
Allow ove
r
l
a
pping CPU force H2D
wi
t
h compute
commit
|
commitdiff
|
tree
2019-11-17
Sz
i
lárd
Páll
T
ri
g
ger o
c
l_nbnxm_kerne
l
s
target
w
it
h
clang-tidy
commit
|
commitdiff
|
tree
2019-11-17
Sz
i
lárd Páll
Fix cl
a
ng-tid
y
8
warnings in OpenCL n
b
nxm kernel
s
commit
|
commitdiff
|
tree
2019-11-03
S
zilárd Páll
Improve S
i
mulationWorkload do
x
y
gen
commit
|
commitdiff
|
tree
2019-11-01
S
z
i
lárd Páll
R
en
a
m
e
reference che
c
ksum ge
n
e
r
ating
target
commit
|
commitdiff
|
tree
2019-11-01
Szilá
r
d Páll
U
se "-" in checksum-re
l
ated version suffix
commit
|
commitdiff
|
tree
2019-11-01
S
z
ilárd Páll
Improve wo
r
klo
a
d
data structures'
doc
s
commit
|
commitdiff
|
tree
2019-10-28
Szilárd Páll
Extend SimulationWorkload with CPU flags
commit
|
commitdiff
|
tree
2019-10-21
Szilárd Páll
Remove
u
nsupported configs from the gpuupdate matrix
commit
|
commitdiff
|
tree
2019-10-21
Szil
á
r
d Páll
Override G
M
X_GPU
_
DD_COMMS if nonbondeds are of
f
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Páll
Add strict assertions
on x synchroni
z
e
r in PME
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Páll
Fi
x
genion c
l
a
ng-
8
warni
n
g
commit
|
commitdiff
|
tree
2019-10-17
Szilárd
P
áll
Fix c
l
a
ng-
t
id
y
w
a
r
n
ings i
n
gpuhalo
e
xcha
n
ge_impl
.
c
u
h
commit
|
commitdiff
|
tree
2019-10-17
Szil
á
r
d Páll
Eli
m
inate
s
p
u
r
io
u
s GP
U
->CPU
copy
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
Disab
l
e GMX_GPU_PME
_
PP_COMMS if PME
i
s no
t
offloa
d
ed
commit
|
commitdiff
|
tree
2019-10-16
Szilár
d
P
áll
Fi
x
initialization of field in PME data s
t
ructure
commit
|
commitdiff
|
tree
2019-10-16
S
zilár
d
P
áll
Make the
wa
i
t
o
n nonbonded GPU
resu
l
ts co
n
dit
i
onal
commit
|
commitdiff
|
tree
2019-10-15
Szilárd P
á
ll
Trigger sy
n
chron
i
zer when lo
c
al forces are
r
eady
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
Link GPU coordi
n
ate producer
a
nd
consu
m
er tasks
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Páll
En
a
ble St
a
tePropagatorGpuData
f
or force transfers
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Páll
Mov
e
buffer
ops
/
P
M
E F red
u
ction
flags into Step
W
or
k
load
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
P
áll
Migrate code to using
Sim
u
la
t
ionWorkload flags
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Re
m
o
v
e inc
o
r
r
e
c
t GPU task d
e
pende
n
cy
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
P
áll
Fix condi
t
ions fo
r
b
u
ilding StateP
r
opagat
o
rDat
a
Gpu
commit
|
commitdiff
|
tree
2019-10-10
Szilár
d
Páll
C
o
nstruct a st
r
uct with developme
n
t feature flags
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Pa
s
s list
o
f EventSy
n
chroniz
e
rs to GPU redu
c
tion
commit
|
commitdiff
|
tree
2019-10-10
S
zilárd Pá
l
l
Add management for
c
oordinates copy events
i
nto S
t
at
e
Propaga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Szilá
r
d Páll
A
d
d G
P
U
event to mark th
a
t coordinat
e
up
d
ate is done
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Páll
Mov
e
PME GPU program building la
t
e
r
commit
|
commitdiff
|
tree
2019-09-30
S
zilárd
P
áll
Make the wai
t
on PME GPU resul
t
s
conditional
commit
|
commitdiff
|
tree
2019-09-27
Szilárd Páll
Switch GPU update o
f
f
by default
commit
|
commitdiff
|
tree
2019-09-25
Szil
á
rd Páll
M
e
rge remote-tracking branch 'origin/re
l
ease-201
9
'
commit
|
commitdiff
|
tree
2019-09-18
S
z
ilárd
Páll
Set
up w
o
rkload data structures
commit
|
commitdiff
|
tree
2019-09-16
Szi
l
á
rd Páll
R
e
fac
t
or G
P
U buf ops-related launches
i
n do_force()
commit
|
commitdiff
|
tree
2019-09-16
Szilá
r
d P
á
ll
Elimin
a
te unnecessary
GPU strea
m
depend
e
ncy
ca
l
l
commit
|
commitdiff
|
tree
2019-09-13
Sz
i
lárd
Páll
Fi
x
GPU X
b
u
ffer
o
ps
with empt
y
domain
commit
|
commitdiff
|
tree
2019-09-12
Szilár
d
Páll
Reorganize on
-
GPU PME force reduction flag handling
commit
|
commitdiff
|
tree
2019-09-11
Szilárd P
á
l
l
Fi
x
gpu
c
omm matrix
commit
|
commitdiff
|
tree
2019-09-10
Szi
l
árd Páll
Eliminate
r
aw force
f
l
ags in do
_
force_l
o
w
l
ev
e
l()
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
Use thread-MPI in the gpucomm
ma
t
r
ix
commit
|
commitdiff
|
tree
2019-09-09
Sz
i
l
árd Páll
Assert the ty
p
es of OpenCL kernels arguments
commit
|
commitdiff
|
tree
2019-09-09
Sz
i
lár
d
Páll
Pass gmx::ForceFlags to CPU nbnxm dispatch
code
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Páll
P
a
s
s the new gmx::ForceF
l
ags to the nbnxm
m
o
dule
commit
|
commitdiff
|
tree
2019-09-06
Szilárd
Páll
Add
g
puupdat
e
a
n
d gpucomm OnDem
a
nd toke
n
s
commit
|
commitdiff
|
tree
2019-09-04
Szilár
d
Páll
Bump
A
RM
HPC
toolchain
in post
-
s
u
bmit to v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
S
z
ilárd
Páll
A
dd back a clang-tidy
ex
c
eption
commit
|
commitdiff
|
tree
2019-09-04
Szilárd
Páll
C
entra
l
i
z
e
more MD/force shedule flags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Pá
l
l
Add clang-tid
y
nightly test with SIMD + Ope
n
C
L
commit
|
commitdiff
|
tree
2019-08-28
S
zilárd Pál
l
Move nonbonded GPU
w
ai
t
ti
m
ing int
o
the
GPU
m
odul
e
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Pá
l
l
clang-tidy 8
fixes for
t
he G
P
U ho
s
t
c
ode-path
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Pá
l
l
Further
f
ixes for clang-tidy clang
vers
i
on 8
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Páll
Fix cl
a
n
g
-tidy warnings in t
h
e OpenCL build
commit
|
commitdiff
|
tree
2019-08-23
S
zi
l
árd Páll
Fix c
l
ang tidy warnings in CUDA build
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
B
u
mp clang-cuda p
o
st-sub
m
i
t compiler/CUDA versi
o
n
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
Switch
to ARM HPC toolchai
n
v19
.
2
i
n post-submit
commit
|
commitdiff
|
tree
2019-08-19
S
z
ilárd P
á
ll
Work around clang
C
UDA device code
c
odegen bu
g
commit
|
commitdiff
|
tree
2019-08-16
Szilárd Páll
Fix sim_u
t
il
.
cpp cop
y
rig
h
t header
commit
|
commitdiff
|
tree
2019-08-15
Szilá
r
d Páll
Fix Ope
n
CL gathe
r
red
u
c
t
ion
commit
|
commitdiff
|
tree
2019-08-12
Szilárd Pá
l
l
Fix hwlo
c
find package
n
a
m
i
ng
a
nd
q
u
ietness issues
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Pá
l
l
Store wcycle
p
ointer in nonbonded_verlet
_
t
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Fixes
f
or F buffer o
p
s
chan
g
e
commit
|
commitdiff
|
tree
2019-07-31
Szi
l
árd Páll
Move cycl
e
counting into t
h
e GP
U
bond
e
d module
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Pá
l
l
Report
whe
n
development featur
e
flags are use
d
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Pá
l
l
Move end of step GPU task launches to a
f
uncti
o
n
commit
|
commitdiff
|
tree
2019-07-25
Szilárd Páll
O
nly stop t
h
e CUD
A
p
r
o
filer if there
a
re device
s
commit
|
commitdiff
|
tree
2019-07-22
S
zilárd Páll
Cond
i
t
i
onally p
i
n GPU-related grid data
commit
|
commitdiff
|
tree
2019-07-11
Szilá
r
d Páll
Use HostV
e
ctor
for Grid/Grid
S
et
d
ata need
on-GPU
commit
|
commitdiff
|
tree
2019-07-08
Szilárd Páll
Elimi
n
a
te
a
use
of double pre
c
ision
in
the GPU bonded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szi
l
árd Páll
B
ump la
t
est CUDA + gcc i
n
t
he pre-sub
m
it mat
r
ix
commit
|
commitdiff
|
tree
2019-07-04
Szi
l
árd Pál
l
Fix a -W
f
or
m
at-tr
u
n
ca
t
ion wa
r
ning i
n
tng
commit
|
commitdiff
|
tree
2019-07-01
Szilárd Páll
Refactor tracking of
G
PU s
h
ort-range
work/skipping
commit
|
commitdiff
|
tree
2019-06-30
S
z
ilárd Páll
C
reate
ded
i
cated
su
b
co
u
nter for nonbon
d
ed
FEP
commit
|
commitdiff
|
tree
2019-06-28
Szi
l
árd
Páll
Sepa
r
a
te CPU NB kernel and buffer clearing subcounters
commit
|
commitdiff
|
tree
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