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Fix clang-tidy 8 warnings in OpenCL nbnxm kernels
2019-11-17
Szilá
r
d
Páll
F
i
x clang-
t
i
dy 8 warnings
in Ope
n
CL nbnxm kernels
commit
|
commitdiff
|
tree
2019-11-03
Szilárd
P
áll
Improve
S
i
mulatio
n
W
o
rkload doxyge
n
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
R
e
name reference
c
h
ecksum generating target
commit
|
commitdiff
|
tree
2019-11-01
S
zi
l
árd
Páll
Use "
-
" i
n
che
c
k
s
um-
r
e
l
ated ver
s
ion suffix
commit
|
commitdiff
|
tree
2019-11-01
S
z
ilá
r
d
Páll
Improve
w
orkload
d
ata
s
tru
c
tures' docs
commit
|
commitdiff
|
tree
2019-10-28
Szilárd Páll
Extend Simul
a
ti
o
nWorkload with CPU flags
commit
|
commitdiff
|
tree
2019-10-21
Sz
i
lárd Pál
l
Remov
e
un
s
upported
con
f
i
gs fr
o
m
the gpuupdate m
a
trix
commit
|
commitdiff
|
tree
2019-10-21
Szilárd
P
áll
Override
G
MX_GPU_DD_C
O
MMS if n
o
nbondeds a
r
e off
commit
|
commitdiff
|
tree
2019-10-18
Szil
á
r
d
Pá
l
l
Add
s
trict a
s
s
ertions on x synchronizer in
P
ME
commit
|
commitdiff
|
tree
2019-10-18
S
zilárd Páll
Fi
x
genio
n
clang-8 wa
r
ni
n
g
commit
|
commitdiff
|
tree
2019-10-17
Szilá
r
d Páll
Fix clang-tidy warnings i
n
gpu
h
aloexchan
g
e_imp
l
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
Szil
á
r
d
Páll
Eliminat
e
spurious GPU
-
>CPU
cop
y
commit
|
commitdiff
|
tree
2019-10-17
Szilárd
Páll
Disable
G
MX_
G
PU_PME_PP
_
COMMS if PME
is not o
f
f
l
oade
d
commit
|
commitdiff
|
tree
2019-10-16
Szilárd
P
áll
Fix in
i
tialization
of fi
e
ld in PME data structure
commit
|
commitdiff
|
tree
2019-10-16
Szilárd Páll
Make the wa
i
t on nonbon
d
ed GPU r
e
sults conditional
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
Trigger synchronizer when
local
fo
r
ces are ready
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
Link GP
U
coordinate
producer
a
n
d
consum
e
r ta
s
k
s
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Páll
E
nable State
P
ropagatorGpuData for
for
c
e tra
n
sfers
commit
|
commitdiff
|
tree
2019-10-13
Szilárd Pá
l
l
Move bu
f
fer ops /
PME F
r
edu
c
tion flags into StepWorkload
commit
|
commitdiff
|
tree
2019-10-10
S
z
ilá
r
d Páll
Migrate code to u
s
ing
S
imula
t
i
o
nWo
r
kload fl
a
g
s
commit
|
commitdiff
|
tree
2019-10-10
Szilá
r
d
P
á
l
l
Remove incorrect
G
P
U task depen
d
e
ncy
commit
|
commitdiff
|
tree
2019-10-10
Sz
i
lá
r
d Páll
F
i
x conditions for b
u
ilding StateP
r
opagatorDa
t
aGpu
commit
|
commitdiff
|
tree
2019-10-10
Szi
l
árd Páll
C
o
nstruct a
s
t
ruct with development featur
e
fl
a
gs
commit
|
commitdiff
|
tree
2019-10-10
S
z
ilárd Páll
Pass list
o
f
EventSynchron
i
zer
s
to GPU
red
u
ct
i
on
commit
|
commitdiff
|
tree
2019-10-10
Sz
i
lá
r
d
Páll
Add management for c
o
ordinates copy events into StatePropaga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Szilár
d
Páll
Add G
P
U
event to mark that coordinate
u
pdate is
d
one
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Páll
Move PME GPU program b
u
ilding later
commit
|
commitdiff
|
tree
2019-09-30
Sz
i
lár
d
P
á
l
l
M
a
ke the wait on P
M
E G
P
U
results conditiona
l
commit
|
commitdiff
|
tree
2019-09-27
Szilá
r
d Páll
Switch
G
P
U update
o
f
f
by de
f
ault
commit
|
commitdiff
|
tree
2019-09-25
Szilárd Pál
l
Merge
r
e
mot
e
-tracking branc
h
'or
i
gi
n
/relea
s
e-20
1
9'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Páll
Set u
p
workload data struc
t
ures
commit
|
commitdiff
|
tree
2019-09-16
Szi
l
árd Pá
l
l
Refactor GP
U
buf
ops-related launches in do_f
o
rce()
commit
|
commitdiff
|
tree
2019-09-16
Szilárd Pál
l
Eliminate unneces
s
ary
GPU s
t
re
a
m
dependency call
commit
|
commitdiff
|
tree
2019-09-13
Szilárd Páll
Fix
G
PU X buffer ops
w
i
t
h empty domain
commit
|
commitdiff
|
tree
2019-09-12
Szil
á
rd Páll
Reor
g
aniz
e
o
n
-GPU PME force reduction flag ha
n
dling
commit
|
commitdiff
|
tree
2019-09-11
S
z
ilárd Páll
Fix gpucomm matr
i
x
commit
|
commitdiff
|
tree
2019-09-10
Sz
i
l
á
rd Páll
Eliminate
raw force fl
a
gs i
n
d
o
_force_lowlevel()
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
U
se thread-MPI in the gpucomm
matrix
commit
|
commitdiff
|
tree
2019-09-09
Szil
á
rd P
á
ll
Asse
r
t the t
y
pes of OpenCL kernels a
r
g
u
m
e
nt
s
commit
|
commitdiff
|
tree
2019-09-09
Szilár
d
Páll
P
a
ss gmx::ForceFlags to CPU
n
bnxm dispatch code
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Pá
l
l
Pass the new gmx
:
:ForceFlags to t
h
e nbn
x
m m
o
dule
commit
|
commitdiff
|
tree
2019-09-06
Szil
á
rd
P
áll
Ad
d
gpuupdate and gpucomm OnDema
n
d tokens
commit
|
commitdiff
|
tree
2019-09-04
Szilárd
P
ál
l
Bump ARM
H
PC toolchain i
n
p
ost-submit to
v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Add
back a cl
a
ng
-
tidy exception
commit
|
commitdiff
|
tree
2019-09-04
Sz
i
l
á
rd Pál
l
Cent
r
alize mo
r
e MD/force
shedule
flags
commit
|
commitdiff
|
tree
2019-08-28
S
zilárd Páll
Add clang-tidy ni
g
htl
y
test
w
i
th SIMD + Ope
n
CL
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
M
o
ve nonbonded GP
U
wait timin
g
i
n
to the GPU module
commit
|
commitdiff
|
tree
2019-08-25
Szilárd
P
á
l
l
clang-t
i
dy 8
fixes for
the GPU host code-path
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Páll
F
urther fixe
s
for clang-tidy c
l
ang version 8
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Páll
F
ix clang-tidy
w
arnings
i
n the OpenCL build
commit
|
commitdiff
|
tree
2019-08-23
Szilá
r
d Páll
Fix cla
n
g tidy wa
r
n
ings i
n
C
U
DA build
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
Bump
clang-cud
a
post-s
u
bmit compile
r
/CUDA
vers
i
on
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
Switch
t
o ARM HPC
t
oolchain v19
.
2 in post-s
u
bmit
commit
|
commitdiff
|
tree
2019-08-19
Szilárd
Páll
W
ork
around cla
n
g
CUDA device code codegen bug
commit
|
commitdiff
|
tree
2019-08-16
Szi
l
árd Páll
F
i
x sim_
u
til
.
cpp c
o
pyr
i
ght header
commit
|
commitdiff
|
tree
2019-08-15
Szilárd Páll
Fix OpenCL g
a
ther reducti
o
n
commit
|
commitdiff
|
tree
2019-08-12
Szilárd Páll
Fix hwloc find pack
a
ge naming and quie
t
ness issues
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
S
tore
w
cycl
e
pointer in n
o
nbonde
d
_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
S
zilárd Páll
F
i
xe
s
for F buffer ops change
commit
|
commitdiff
|
tree
2019-07-31
Szilárd
P
áll
Move cyc
l
e
counting into the
G
PU bonded module
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Report
w
hen developm
e
nt featur
e
f
l
a
gs are u
s
e
d
commit
|
commitdiff
|
tree
2019-07-31
Szil
á
rd
P
áll
M
ove end
of step GPU task laun
c
h
e
s to a function
commit
|
commitdiff
|
tree
2019-07-25
Szilárd Páll
Only stop the CUDA
p
r
o
fil
e
r if ther
e
a
re
devices
commit
|
commitdiff
|
tree
2019-07-22
S
z
ilárd Páll
Conditionally pin GPU-r
e
lated
grid dat
a
commit
|
commitdiff
|
tree
2019-07-11
Sz
i
lárd Páll
U
se
Host
V
ect
o
r for
Grid/GridSet data need
o
n-GPU
commit
|
commitdiff
|
tree
2019-07-08
S
z
ilá
r
d Pál
l
Eliminat
e
a use of double precision
i
n
t
he GPU
b
on
d
ed
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szilárd P
á
ll
Bump latest CUDA
+
g
cc
i
n the pre-submit matrix
commit
|
commitdiff
|
tree
2019-07-04
Szilá
r
d Páll
Fix
a -Wfo
r
m
a
t-truncation war
n
i
n
g
i
n
tn
g
commit
|
commitdiff
|
tree
2019-07-01
Szilárd P
á
ll
Re
f
actor tracking of GPU short
-
range
work/skippin
g
commit
|
commitdiff
|
tree
2019-06-30
Szilárd
Páll
Create dedicated subcoun
t
er
f
or
n
onbonded FEP
commit
|
commitdiff
|
tree
2019-06-28
Szil
á
r
d
Páll
Separate
C
PU NB
kernel
a
nd buff
e
r clearing s
u
bcoun
t
e
rs
commit
|
commitdiff
|
tree
2019-06-27
S
z
i
l
árd Páll
Remove alrea
d
y resolved post-submit matrix TODO
commit
|
commitdiff
|
tree
2019-06-24
Szilárd Páll
On
l
y use A
V
X512 in own-FFTW if GROMAC
S
also u
s
es it
commit
|
commitdiff
|
tree
2019-06-19
Szilárd
Páll
Disable
PME GPU on Ap
p
le OpenCL
commit
|
commitdiff
|
tree
2019-05-29
Szilárd Páll
Temp
l
ate
x
b
uffer ops call o
n
w
h
et
h
e
r GPU
is used
commit
|
commitdiff
|
tree
2019-05-23
Szi
l
árd Páll
Fix mulit
p
le lin
k
refs in d
e
v
-m
a
n
ual
commit
|
commitdiff
|
tree
2019-05-20
Szi
l
árd Páll
Improve X
b
uff
e
r ops kerne
l
commit
|
commitdiff
|
tree
2019-04-25
Szilár
d
Páll
Fix
c
l
a
n
g warning abou
t
NULL use
commit
|
commitdiff
|
tree
2019-04-25
Szilárd Páll
Av
o
id using AtomL
o
cality
:
:Count a
s
a val
i
d value
commit
|
commitdiff
|
tree
2019-04-24
Szilárd P
á
l
l
Fix CUD
A
fallbac
k
shmem gather
re
d
u
cti
o
n
commit
|
commitdiff
|
tree
2019-04-18
Szil
á
rd P
á
ll
F
i
x warning
s
& consol
i
date decl
a
r
ations
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Pál
l
Move functions
o
perati
n
g on enerdata o
u
t
of forc
e
.
cpp
commit
|
commitdiff
|
tree
2019-04-16
S
zilárd
Páll
Remov
e
"coarse load balancing vars"
fro
m
forcerec
commit
|
commitdiff
|
tree
2019-04-16
Sz
i
lárd Páll
Group scheme relat
e
d cleanup
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Remo
v
e Group schem
e
ne
i
gh
b
or search
w
rapper
commit
|
commitdiff
|
tree
2019-04-15
Sz
i
lárd
P
áll
Add user gui
d
e note
on
AVX512 throttle in
G
P
U
r
uns
commit
|
commitdiff
|
tree
2019-04-05
Szilárd Páll
Revert "T
e
m
p
orarily disable ARM HPC compiler in post
.
.
.
commit
|
commitdiff
|
tree
2019-04-05
Szilárd Páll
R
e
vert "
T
emporarily
d
isable A
R
M
H
P
C comp
i
l
e
r in
post
.
.
.
commit
|
commitdiff
|
tree
2019-04-02
S
z
ilárd Pál
l
Temporarily disable ARM
H
PC compiler i
n
pos
t
-sub
m
it
commit
|
commitdiff
|
tree
2019-04-02
Szi
l
á
r
d
Pá
l
l
Te
m
poraril
y
di
s
able AR
M
HPC compiler in po
s
t-s
u
bmit
commit
|
commitdiff
|
tree
2019-03-28
S
zilárd Páll
Better d
o
cument GM
X
_OPENMP_MAX_THREADS
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Páll
Skip PBC calc
u
lat
i
on when there are
n
o listed forces
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Páll
do
_
force_cutsV
E
RL
E
T cl
e
an
u
p
commit
|
commitdiff
|
tree
2019-03-21
S
zilá
r
d Pá
l
l
Reorder PB
C
setup in do_force_l
o
wlev
e
l
commit
|
commitdiff
|
tree
2019-03-13
S
zilárd Páll
Reorganize s
e
arch-t
i
me cod
e
in do_force_cutsVERLET
commit
|
commitdiff
|
tree
2019-03-13
Szilárd P
á
ll
Add haveGpuBondedWork f
l
ag to PpForceWorkloa
d
commit
|
commitdiff
|
tree
2019-03-13
Szilárd P
á
ll
Start m
o
dularizing force worklo
a
d
se
t
up
commit
|
commitdiff
|
tree
2019-03-05
Szilárd
Páll
Relax OpenCL
g
ather
k
e
rnel
ba
r
r
ie
r
o
n
A
MD
commit
|
commitdiff
|
tree
2019-03-02
Szilár
d
Páll
Enca
p
sulate
f
orce output setup in do_force_*
commit
|
commitdiff
|
tree
2019-03-01
Szilárd Pál
l
Clarify fo
r
ce buffer
setup code in do_force
commit
|
commitdiff
|
tree
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