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Add management for coordinates copy events into StatePropagatorDataGpu
2019-10-10
Szilárd Páll
Add manag
e
m
en
t
for
c
oordina
t
es cop
y
e
vent
s
in
t
o StateProp
a
ga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Szilárd Páll
Add G
P
U
event
to mark that coo
r
d
i
nate upda
t
e is done
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Páll
Move P
M
E GPU program building later
commit
|
commitdiff
|
tree
2019-09-30
S
z
i
l
árd Páll
Make the wait
on PME GPU results conditional
commit
|
commitdiff
|
tree
2019-09-27
Szilár
d
P
áll
Switch
GPU update off by default
commit
|
commitdiff
|
tree
2019-09-25
Szi
l
árd Páll
Merge re
m
ote-track
i
ng branch 'origin
/
releas
e
-2019'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Páll
Set up work
l
oad
d
ata s
t
r
u
ctu
r
es
commit
|
commitdiff
|
tree
2019-09-16
Szi
l
árd P
á
ll
Refactor GPU
b
uf ops
-
relate
d
launch
e
s
in
do_forc
e
(
)
commit
|
commitdiff
|
tree
2019-09-16
Szilárd Páll
Eliminate u
n
n
ecessary
G
P
U
st
r
eam
d
ep
e
n
dency call
commit
|
commitdiff
|
tree
2019-09-13
Szilá
r
d
P
áll
Fi
x
GPU X
b
u
ffer ops with empty domain
commit
|
commitdiff
|
tree
2019-09-12
Szi
l
árd Páll
Reo
r
g
a
niz
e
on-GPU PME force reduction fla
g
ha
n
dli
n
g
commit
|
commitdiff
|
tree
2019-09-11
Szilárd Páll
Fix gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-10
Szilárd
Páll
Eli
m
inate
r
aw forc
e
flag
s
in do_for
c
e_lowlev
e
l()
commit
|
commitdiff
|
tree
2019-09-10
Sz
i
lárd Páll
Us
e
thread-MPI in the g
p
ucomm
matrix
commit
|
commitdiff
|
tree
2019-09-09
Szilá
r
d P
á
ll
Ass
e
r
t
the t
y
pes of Op
e
nCL ke
r
nels
a
rg
u
ments
commit
|
commitdiff
|
tree
2019-09-09
Szilárd
Páll
Pass gmx::Force
F
lags to CPU nbnxm dispatch
c
o
de
commit
|
commitdiff
|
tree
2019-09-09
Szilá
r
d Páll
P
a
ss the new gmx::ForceFlag
s
to the n
b
n
x
m
module
commit
|
commitdiff
|
tree
2019-09-06
Szilárd Pá
l
l
Add gpuupdat
e
a
nd gpu
c
omm OnDemand
to
k
ens
commit
|
commitdiff
|
tree
2019-09-04
S
z
i
lá
r
d Páll
Bump ARM HPC toolcha
i
n i
n
p
ost-submit
t
o v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
Szi
l
á
r
d Páll
Add
back a clang-tid
y
e
x
cep
t
io
n
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
C
e
n
t
ralize more MD/force
s
hedule flags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
Add c
l
a
ng-tidy
n
ight
l
y
tes
t
with
SIMD + OpenCL
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
Move nonbonded GPU wai
t
timing i
n
to the GPU
m
o
d
ule
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Pá
l
l
c
lang-tidy 8 fixes for the GPU host
c
ode-path
commit
|
commitdiff
|
tree
2019-08-25
Szil
á
rd Páll
Further fixes for cl
a
ng-tidy c
l
a
n
g v
e
r
sion 8
commit
|
commitdiff
|
tree
2019-08-23
Szilár
d
Páll
Fix clang-tidy warnings
i
n the OpenCL build
commit
|
commitdiff
|
tree
2019-08-23
Sz
i
lárd Páll
Fix cla
n
g tidy warni
n
gs
in CUD
A
build
commit
|
commitdiff
|
tree
2019-08-19
Szilá
r
d Páll
Bump clang-c
u
da po
s
t-submi
t
compiler/CUDA version
commit
|
commitdiff
|
tree
2019-08-19
Szil
á
r
d Páll
Swit
c
h
to
A
RM HPC toolchain v19
.
2 in
p
ost
-
submit
commit
|
commitdiff
|
tree
2019-08-19
Szil
á
rd Pál
l
Wo
r
k around clang
CUDA
d
evice code c
o
d
ege
n
bug
commit
|
commitdiff
|
tree
2019-08-16
S
z
ilárd Páll
Fix sim
_
ut
i
l
.
cpp copyright header
commit
|
commitdiff
|
tree
2019-08-15
Szilárd
Páll
Fix OpenC
L
g
a
ther
r
e
duc
t
i
on
commit
|
commitdiff
|
tree
2019-08-12
Szilárd Páll
Fix hw
l
o
c find p
a
ckag
e
naming and qui
e
tness issues
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
S
t
ore wcy
c
le pointer in nonbonded_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
S
z
ilá
r
d
P
á
ll
Fi
x
es for F buffe
r
ops chang
e
commit
|
commitdiff
|
tree
2019-07-31
Szilárd
Páll
Mo
v
e cycle countin
g
into t
h
e
G
PU bo
n
d
ed
m
odu
l
e
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Pál
l
Report when
d
evelopment fea
t
ure
f
lags are used
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Mo
v
e end o
f
s
t
ep GPU task launches to a function
commit
|
commitdiff
|
tree
2019-07-25
Szilárd
Pá
l
l
Only
s
top the CUDA profiler if there are devices
commit
|
commitdiff
|
tree
2019-07-22
Szilárd Páll
Co
n
diti
o
nally
p
in GPU-related grid data
commit
|
commitdiff
|
tree
2019-07-11
Szilár
d
Páll
U
s
e HostVector for Grid/
G
ridSet d
a
ta need on-GP
U
commit
|
commitdiff
|
tree
2019-07-08
S
zilárd Páll
Elimi
n
at
e
a use of double precision
i
n the
G
PU
b
onded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szilárd P
á
l
l
Bump la
t
est CUDA + gcc
i
n
t
h
e pr
e
-s
u
bmi
t
mat
r
ix
commit
|
commitdiff
|
tree
2019-07-04
Sz
i
l
árd Páll
Fix a -W
f
ormat
-
tr
u
ncation warning in tng
commit
|
commitdiff
|
tree
2019-07-01
Sz
i
lárd Páll
Refactor tracking o
f
GPU
short-range work/skipping
commit
|
commitdiff
|
tree
2019-06-30
Szilárd Pá
l
l
Cre
a
te de
d
icate
d
subcounter fo
r
no
n
bonded FEP
commit
|
commitdiff
|
tree
2019-06-28
Szilá
r
d Páll
Separate CPU NB kern
e
l a
n
d b
u
f
fer clearing subcounters
commit
|
commitdiff
|
tree
2019-06-27
Szilárd
P
áll
Remove al
r
eady resolved
post-su
b
mit m
a
t
rix TOD
O
commit
|
commitdiff
|
tree
2019-06-24
Szilárd Páll
Only u
s
e
A
VX512 in
o
wn-FFTW if GROMACS als
o
uses
it
commit
|
commitdiff
|
tree
2019-06-19
Szilárd P
á
ll
Disable PME GPU
o
n Apple OpenCL
commit
|
commitdiff
|
tree
2019-05-29
Sz
i
lárd P
á
ll
T
e
mpl
a
te x buffer ops call on whether GPU
is use
d
commit
|
commitdiff
|
tree
2019-05-23
Szilárd Páll
Fi
x
mul
i
t
p
le l
i
nk refs in dev-manual
commit
|
commitdiff
|
tree
2019-05-20
Szilárd Pál
l
Improve X buffer ops kernel
commit
|
commitdiff
|
tree
2019-04-25
Szilárd Páll
Fix clang warning about
NUL
L
use
commit
|
commitdiff
|
tree
2019-04-25
Szilár
d
P
á
ll
Avoid
u
sing AtomLocality::Count
as a valid value
commit
|
commitdiff
|
tree
2019-04-24
Szi
l
árd P
á
ll
Fi
x
CUDA fallback shmem
g
a
t
h
e
r r
e
d
uction
commit
|
commitdiff
|
tree
2019-04-18
Szilárd Páll
F
ix warning
s
& consol
i
date declara
t
ions
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Move functions ope
r
a
t
ing on en
e
rdata out of force
.
cpp
commit
|
commitdiff
|
tree
2019-04-16
S
z
ilárd Páll
Remove "coa
r
s
e
load balanc
i
ng vars" from forcerec
commit
|
commitdiff
|
tree
2019-04-16
Szilár
d
Páll
Group scheme related cleanup
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Rem
o
ve Group sch
e
me
ne
i
gh
b
or search
wrapper
commit
|
commitdiff
|
tree
2019-04-15
Szi
l
árd Páll
Add user
guide n
o
t
e
on AVX512 thrott
l
e
i
n G
P
U runs
commit
|
commitdiff
|
tree
2019-04-05
Szilárd Pál
l
Revert "Tempora
r
ily
disable ARM
H
PC compil
e
r
in post
.
.
.
commit
|
commitdiff
|
tree
2019-04-05
S
z
ilárd Páll
Revert "T
e
mporari
l
y
d
isa
b
le
A
R
M
HPC compiler in post
.
.
.
commit
|
commitdiff
|
tree
2019-04-02
S
zi
l
árd
P
áll
Temporaril
y
disable
A
R
M HPC compiler in
p
ost-sub
m
it
commit
|
commitdiff
|
tree
2019-04-02
Szilárd Páll
Temporarily di
s
abl
e
ARM HP
C
compi
l
er in pos
t
-su
b
mit
commit
|
commitdiff
|
tree
2019-03-28
S
zilár
d
Páll
B
etter
document GMX_OPEN
M
P_M
A
X
_THREADS
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Páll
Skip PBC calculatio
n
whe
n
there a
r
e
no liste
d
forces
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Páll
do_fo
r
ce_cutsVERL
E
T
c
lean
u
p
commit
|
commitdiff
|
tree
2019-03-21
Szilá
r
d Páll
Reorder
P
B
C set
u
p in do_for
c
e_
l
owlevel
commit
|
commitdiff
|
tree
2019-03-13
S
zilárd P
á
ll
Reorg
a
ni
z
e
s
e
arch-time code in do_force_c
u
tsVERLET
commit
|
commitdiff
|
tree
2019-03-13
S
z
ilárd P
á
ll
Add haveGpuB
o
ndedWork flag to PpForceWo
r
kload
commit
|
commitdiff
|
tree
2019-03-13
Sz
i
lárd Pá
l
l
S
tart mod
u
l
arizing force workload setup
commit
|
commitdiff
|
tree
2019-03-05
S
zilárd Páll
Relax Op
e
nCL gather kernel
barri
e
r on AMD
commit
|
commitdiff
|
tree
2019-03-02
Szilá
r
d
P
áll
Encapsu
l
ate f
o
rce
output setup in do_f
o
rce_*
commit
|
commitdiff
|
tree
2019-03-01
Szilárd
P
áll
C
larify
f
orce buffer setu
p
code
in
d
o_forc
e
commit
|
commitdiff
|
tree
2019-02-19
Szilárd Páll
Disable
i
n
s
tructio
n
f
usion on Po
w
er8
commit
|
commitdiff
|
tree
2019-02-17
Sz
i
lárd
P
áll
Improv
e
GPU
t
arget compatibility e
r
ror
m
es
s
a
g
e
commit
|
commitdiff
|
tree
2019-02-15
Sz
i
lá
r
d
Páll
Extend GpuEventSynchronizer to all
o
w on-device sync
commit
|
commitdiff
|
tree
2019-02-15
Szilárd
P
á
l
l
E
x
tend
p
e
rfo
r
mance considera
t
io
n
s
o
n bonded of
f
load
commit
|
commitdiff
|
tree
2019-02-13
Szilárd P
á
ll
Disable instruction fusion
o
n Pow
e
r8
commit
|
commitdiff
|
tree
2019-02-13
Szilárd Pá
l
l
Minor refactoring in m
d
runnner
commit
|
commitdiff
|
tree
2019-02-12
Szilárd P
á
ll
M
i
nor
r
efact
o
r
of gpuid / tas
k
m
a
pping parsing
commit
|
commitdiff
|
tree
2019-02-07
Szil
á
rd Páll
Requ
i
re
a 64
-
b
i
t platform for
O
penCL
commit
|
commitdiff
|
tree
2019-01-30
S
z
i
l
á
r
d Páll
F
ix double
-
increm
e
nt of GPU
NB launc
h
subcounter
commit
|
commitdiff
|
tree
2019-01-21
Szi
l
árd Páll
Add C
U
DA CC
7
.
5 (Tu
r
ing) s
u
pport with nvc
c
commit
|
commitdiff
|
tree
2019-01-04
S
zil
á
r
d Páll
Fix for
m
atting warni
n
g
commit
|
commitdiff
|
tree
2019-01-02
Szilárd Páll
Fix cla
n
g 6 warning
commit
|
commitdiff
|
tree
2019-01-02
Szilárd Páll
Do no
t
whiteli
s
t the
use o
f
O
p
enCL 1
.
1 API
commit
|
commitdiff
|
tree
2018-12-31
Szilárd Páll
F
ix rele
a
se
n
otes typo
commit
|
commitdiff
|
tree
2018-12-31
S
z
ilárd Páll
Add CUDA CC 7
.
5 (Turing) support w
i
th
n
vcc
commit
|
commitdiff
|
tree
2018-12-27
S
z
i
lárd
P
áll
Use std::s
w
a
p in LINCS
commit
|
commitdiff
|
tree
2018-12-22
S
z
ilárd
P
ál
l
Runtim
e
check of devic
e
Op
e
nC
L
suppor
t
commit
|
commitdiff
|
tree
2018-12-21
Szilár
d
P
áll
M
a
k
e jenkins own-fftw ver
i
f
y
u
se local t
a
rball
commit
|
commitdiff
|
tree
2018-12-20
S
z
ilárd Pá
l
l
Fix CUDA compiled
t
arget-devic
e
com
p
atibility check
commit
|
commitdiff
|
tree
2018-12-20
Szilárd Páll
Cor
r
ect CUDA
comp
a
ti
b
ili
t
y
check
commit
|
commitdiff
|
tree
2018-12-20
Szilárd P
á
ll
Merge "Merge br
a
nch release-
2
018 into
r
e
l
e
a
s
e
-2019
.
.
.
commit
|
commitdiff
|
tree
2018-12-18
S
z
ilárd P
á
ll
Merge release-2019 bran
c
h into master
commit
|
commitdiff
|
tree
2018-12-17
Szilá
r
d Páll
Fix
G
MX_BUILD_
O
W
N
_FFTW_URL CMake c
a
che en
t
ry type
commit
|
commitdiff
|
tree
2018-12-14
Szilárd Páll
Enable ARMP
L
in the armclang build
commit
|
commitdiff
|
tree
next