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Fix GPU X buffer ops with empty domain
2019-09-13
Szil
á
rd Páll
F
i
x GPU X
buffer op
s
with empty d
o
main
commit
|
commitdiff
|
tree
2019-09-12
Szi
l
árd
P
áll
Reo
r
gani
z
e on-GP
U
PME
f
orce reduction flag h
a
ndling
commit
|
commitdiff
|
tree
2019-09-11
Szil
á
rd Páll
Fix
g
p
ucomm
m
atr
i
x
commit
|
commitdiff
|
tree
2019-09-10
Szilárd
P
áll
Elimin
a
te raw force fla
g
s
in
d
o
_
force
_
low
l
evel()
commit
|
commitdiff
|
tree
2019-09-10
Sz
i
l
á
r
d Pá
l
l
Use thread-MPI in the gpucomm mat
r
i
x
commit
|
commitdiff
|
tree
2019-09-09
Szi
l
árd Pá
l
l
Assert t
h
e typ
e
s
of OpenCL ke
r
nels arguments
commit
|
commitdiff
|
tree
2019-09-09
S
z
ilár
d
Páll
Pass gmx::Forc
e
Flags to CPU n
b
nx
m
dispatch code
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Páll
Pas
s
the new
g
mx::Forc
e
F
lags to
t
he nbnxm mo
d
ule
commit
|
commitdiff
|
tree
2019-09-06
Sz
i
l
á
rd Páll
Add gpuup
d
ate and gpuc
o
mm OnDemand toke
n
s
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Bu
m
p
ARM
H
P
C to
o
lc
h
a
i
n in
p
ost-sub
m
it to
v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Add back a clang-tid
y
ex
c
e
p
t
ion
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Central
i
z
e
more M
D
/for
c
e
s
hedule f
l
ags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
A
d
d cl
a
ng-tidy
n
ightly tes
t
with SIMD
+ Op
e
nCL
commit
|
commitdiff
|
tree
2019-08-28
Szilár
d
Pál
l
M
o
v
e nonbond
e
d G
P
U
wai
t
t
iming into
the GPU mo
d
ul
e
commit
|
commitdiff
|
tree
2019-08-25
S
z
i
l
árd Pá
l
l
cl
a
n
g-tid
y
8
fixes f
o
r
t
h
e
GPU
h
ost code-pat
h
commit
|
commitdiff
|
tree
2019-08-25
Sz
i
lárd
Páll
Further fixes for clang-t
i
dy c
l
ang version 8
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Páll
Fix clang-tidy warn
i
ngs
in the
O
p
enCL build
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Páll
Fi
x
clang tidy warn
i
ngs
i
n
CUD
A
build
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
Bum
p
clang-cuda post-submit
compiler/CUDA v
e
r
s
ion
commit
|
commitdiff
|
tree
2019-08-19
Szilárd P
á
l
l
Switch to A
R
M
H
PC toolch
a
in v19
.
2 i
n
post-
s
ubmit
commit
|
commitdiff
|
tree
2019-08-19
Szilá
r
d Pá
l
l
Work around clang
CUDA device co
d
e codegen bug
commit
|
commitdiff
|
tree
2019-08-16
Szilárd Páll
F
i
x sim_
u
til
.
cpp copyri
g
ht header
commit
|
commitdiff
|
tree
2019-08-15
Szilárd Páll
Fix Open
C
L gather reduction
commit
|
commitdiff
|
tree
2019-08-12
Szilá
r
d Páll
F
i
x hwloc find package naming and
quie
t
ness issues
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Store
w
cy
c
l
e
pointer in nonbonded_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Pá
l
l
Fixes for F buffer op
s
c
hange
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Move cycle cou
n
ting
i
nto the
GPU bo
n
ded module
commit
|
commitdiff
|
tree
2019-07-31
Sz
i
lárd P
á
ll
R
eport
when development feature flags
a
r
e use
d
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Move
e
nd of st
e
p GPU t
a
s
k
launches to
a
f
unction
commit
|
commitdiff
|
tree
2019-07-25
Szilárd P
á
l
l
O
nl
y
stop t
h
e CUDA pr
o
fil
e
r if th
e
re are
d
evi
c
es
commit
|
commitdiff
|
tree
2019-07-22
Sz
i
lárd Páll
Condi
t
ionally pin GPU-related g
r
id data
commit
|
commitdiff
|
tree
2019-07-11
Szilárd Páll
Use HostVecto
r
f
or Grid/G
r
i
d
Set data
n
eed on-G
P
U
commit
|
commitdiff
|
tree
2019-07-08
Szilár
d
Páll
Eliminate a use of
double preci
s
ion in the GPU
b
onded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szilárd Páll
Bu
m
p latest CUDA + gcc in the pre-su
b
mit matrix
commit
|
commitdiff
|
tree
2019-07-04
Szilá
r
d Páll
F
i
x
a -
W
f
o
rm
a
t
-t
r
u
n
c
a
tion w
a
rning in tng
commit
|
commitdiff
|
tree
2019-07-01
Szilárd
Páll
Refa
c
tor t
r
acking of GPU
short-range work/skipping
commit
|
commitdiff
|
tree
2019-06-30
Szilárd Páll
C
reate de
d
icat
e
d subcounter
for nonbonded FEP
commit
|
commitdiff
|
tree
2019-06-28
Szilárd Páll
Separate CPU NB
kernel
and buffer clearing subcounters
commit
|
commitdiff
|
tree
2019-06-27
S
z
ilárd Páll
Re
m
ove already r
e
s
o
lved post-sub
m
it
mat
r
ix TODO
commit
|
commitdiff
|
tree
2019-06-24
S
z
ilárd Páll
O
n
ly use AVX
5
12 in own-FFTW i
f
G
ROMACS
a
lso use
s
it
commit
|
commitdiff
|
tree
2019-06-19
S
z
ilárd
P
áll
D
i
sable P
M
E GPU on
A
pple
O
penCL
commit
|
commitdiff
|
tree
2019-05-29
Szilárd P
á
ll
Templ
a
te x bu
f
fer ops call on whethe
r
GPU is used
commit
|
commitdiff
|
tree
2019-05-23
Szil
á
rd Páll
F
i
x m
u
litple l
i
nk refs in de
v
-m
a
nual
commit
|
commitdiff
|
tree
2019-05-20
Szilárd Páll
I
m
prov
e
X buff
e
r ops ker
n
el
commit
|
commitdiff
|
tree
2019-04-25
Szilárd
Pál
l
Fix cl
a
n
g w
a
rning a
b
out NULL
u
se
commit
|
commitdiff
|
tree
2019-04-25
Szilárd Pál
l
Av
o
id usi
n
g At
o
mLocali
t
y::
C
ount as
a
v
a
lid value
commit
|
commitdiff
|
tree
2019-04-24
Szilár
d
Páll
Fix CUDA fallback shme
m
gather reduc
t
i
on
commit
|
commitdiff
|
tree
2019-04-18
Szilárd Páll
F
i
x warni
n
gs & co
n
solidat
e
declara
t
ions
commit
|
commitdiff
|
tree
2019-04-16
Szilárd P
á
l
l
Move functions o
p
erati
n
g on enerdata out
o
f force
.
cp
p
commit
|
commitdiff
|
tree
2019-04-16
S
z
ilárd Páll
Remove "coar
s
e load balancing vars" fr
o
m forcerec
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Group scheme rela
t
ed cl
e
anup
commit
|
commitdiff
|
tree
2019-04-16
Sz
i
lárd Páll
R
emove G
r
oup s
c
h
e
m
e neig
h
bor sear
c
h wra
p
per
commit
|
commitdiff
|
tree
2019-04-15
S
z
il
á
rd Páll
Ad
d
user
gu
i
de note on AVX512 throttle
in
G
PU run
s
commit
|
commitdiff
|
tree
2019-04-05
Szi
l
árd Páll
Revert "
T
e
m
porarily disa
b
le ARM HPC compiler in post
.
.
.
commit
|
commitdiff
|
tree
2019-04-05
Szil
á
rd Pá
l
l
Re
v
ert
"Temporarily disab
l
e
A
RM HPC compi
l
e
r in post
.
.
.
commit
|
commitdiff
|
tree
2019-04-02
Sz
i
lárd Páll
Tem
p
orarily
d
isable
ARM HP
C
c
ompiler in post-submit
commit
|
commitdiff
|
tree
2019-04-02
Szilárd Páll
Temporarily dis
a
ble ARM HPC compiler in
p
ost-submit
commit
|
commitdiff
|
tree
2019-03-28
Szilárd P
á
ll
Better document GM
X
_OPE
N
MP_MAX_THREADS
commit
|
commitdiff
|
tree
2019-03-26
Szilá
r
d Páll
Skip PBC calculation when
there ar
e
no li
s
ted forces
commit
|
commitdiff
|
tree
2019-03-26
Szilárd
P
á
l
l
do_
f
orc
e
_cutsV
E
RLET
cle
a
nup
commit
|
commitdiff
|
tree
2019-03-21
Szilá
r
d
P
áll
Re
o
r
de
r
P
B
C setup in d
o
_force_lowlevel
commit
|
commitdiff
|
tree
2019-03-13
Szi
l
árd Páll
Reorganiz
e
search-ti
m
e code in
do_force
_
cutsVERLET
commit
|
commitdiff
|
tree
2019-03-13
Szilá
r
d Pál
l
Add
h
ave
G
puBondedWork flag to PpForce
W
orkload
commit
|
commitdiff
|
tree
2019-03-13
S
z
ilárd Pá
l
l
St
a
rt modularizing force workload setup
commit
|
commitdiff
|
tree
2019-03-05
Sz
i
lárd Páll
Relax OpenCL gather ker
n
el barri
e
r on AMD
commit
|
commitdiff
|
tree
2019-03-02
Szi
l
á
r
d
P
á
ll
Encaps
u
late force
o
u
tput setup in do_force_*
commit
|
commitdiff
|
tree
2019-03-01
Szilárd
P
áll
Clarify force
buffer setup code
i
n do_force
commit
|
commitdiff
|
tree
2019-02-19
Szilá
r
d Pál
l
Disa
b
le in
s
truction fusion on Po
w
er8
commit
|
commitdiff
|
tree
2019-02-17
Sz
i
lárd Páll
Improve GPU
tar
g
et compa
t
ibi
l
ity
e
rror messa
g
e
commit
|
commitdiff
|
tree
2019-02-15
Szi
l
árd Páll
Exte
n
d GpuEventSync
h
ronizer to a
l
low on-device sync
commit
|
commitdiff
|
tree
2019-02-15
Sz
i
lá
r
d Páll
E
x
tend performance
c
ons
i
d
e
rations on bo
n
de
d
offload
commit
|
commitdiff
|
tree
2019-02-13
Sz
i
lárd
P
áll
Di
s
ab
l
e instruct
i
on
f
u
s
ion
on
Power8
commit
|
commitdiff
|
tree
2019-02-13
Szilárd Pál
l
M
i
nor
r
efact
o
r
ing in mdrunnner
commit
|
commitdiff
|
tree
2019-02-12
S
z
i
lá
r
d
Páll
M
in
o
r ref
a
ctor of gpuid
/
task
mapping p
a
rsing
commit
|
commitdiff
|
tree
2019-02-07
Szilárd Páll
R
e
quire a 64-bit platform for
O
penCL
commit
|
commitdiff
|
tree
2019-01-30
Szilárd Páll
Fix double-increment of G
P
U NB launch subcou
n
ter
commit
|
commitdiff
|
tree
2019-01-21
Szilár
d
Pál
l
Add CUDA C
C
7
.
5 (Tu
r
i
n
g) support with nvcc
commit
|
commitdiff
|
tree
2019-01-04
Szilárd Páll
Fix formatting
w
arning
commit
|
commitdiff
|
tree
2019-01-02
S
zilárd Pál
l
Fi
x
clang 6 w
a
rn
i
ng
commit
|
commitdiff
|
tree
2019-01-02
Szi
l
árd Páll
Do n
o
t whitelist the use of
OpenCL 1
.
1 API
commit
|
commitdiff
|
tree
2018-12-31
Szil
á
rd Páll
Fi
x
releas
e
notes typo
commit
|
commitdiff
|
tree
2018-12-31
Szilár
d
P
á
ll
Ad
d
CUDA CC 7
.
5
(
T
u
ring) support with nvcc
commit
|
commitdiff
|
tree
2018-12-27
S
z
i
lárd Pá
l
l
Use st
d
::swap in LINCS
commit
|
commitdiff
|
tree
2018-12-22
S
z
ilárd P
á
ll
Runtime
check of
d
evice O
p
e
nCL s
u
pport
commit
|
commitdiff
|
tree
2018-12-21
Szilár
d
Páll
Make
j
e
nki
n
s
own-fftw v
e
rify use local tarba
l
l
commit
|
commitdiff
|
tree
2018-12-20
Szilárd
P
áll
Fix CUD
A
comp
i
led
target-device compatib
i
lit
y
check
commit
|
commitdiff
|
tree
2018-12-20
Szi
l
árd Páll
C
orrect CUDA compatibi
l
ity
chec
k
commit
|
commitdiff
|
tree
2018-12-20
Szilár
d
Páll
Merg
e
"Merge br
a
nch re
l
ease-2
0
18
i
nto
release-2019
.
.
.
commit
|
commitdiff
|
tree
2018-12-18
S
z
i
l
á
r
d Páll
Merge release-2019 branch in
t
o
m
aster
commit
|
commitdiff
|
tree
2018-12-17
Szilár
d
P
á
ll
Fix GM
X
_BUILD_OWN
_
FFTW_URL CMake
c
a
che
e
n
t
r
y
type
commit
|
commitdiff
|
tree
2018-12-14
S
z
ilárd Páll
Enable ARMPL in
t
h
e
armclang build
commit
|
commitdiff
|
tree
2018-12-13
Szilárd Pá
l
l
Avoid spurious ti
m
ing
i
n bo
n
ded
GPU
l
au
n
ch subcounte
r
commit
|
commitdiff
|
tree
2018-12-13
Szilárd Páll
D
ocument the FP exception in cuFFT
7
.
0
commit
|
commitdiff
|
tree
2018-12-12
Szilárd Pál
l
Improve DLB repor
t
/not
e
commit
|
commitdiff
|
tree
2018-12-11
Szilá
r
d P
á
ll
Tweak
t
he b
o
nded GPU energy
copy/wait
o
p
e
rations
commit
|
commitdiff
|
tree
2018-12-06
S
zilárd Pál
l
A
d
d
Bonded GPU la
u
nch overhead c
y
cle subcount
e
r
commit
|
commitdiff
|
tree
2018-12-06
S
zilárd Páll
Swap the order of GPU b
o
nded and non
b
ond
e
d launch
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Páll
Fix
conditional in nonlocal nbnxn G
P
U work sk
i
p
p
i
ng
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Páll
Split
nbnxn input cop
y
and
k
e
rnel
l
aunc
h
commit
|
commitdiff
|
tree
2018-12-05
Szi
l
árd Páll
Correct thre
a
d
count in the PME GPU red
u
c
t
i
o
n
commit
|
commitdiff
|
tree
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