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Fix integration issues
2019-08-28
Szilárd Páll
A
d
d clang-tidy
n
i
g
htly test with
S
IMD + OpenCL
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
Move nonbonded GPU wai
t
ti
m
ing i
n
to the GPU
m
odule
commit
|
commitdiff
|
tree
2019-08-25
Szi
l
árd
P
áll
c
la
n
g-tid
y
8 fixes f
o
r the GPU host
code-path
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Páll
F
urther
f
ixes for clang-tidy clang
ver
s
ion
8
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Pál
l
Fix c
l
ang-tidy warn
i
ngs in the OpenCL build
commit
|
commitdiff
|
tree
2019-08-23
S
z
ilárd
P
áll
Fix clang t
i
dy warnings in
C
UDA build
commit
|
commitdiff
|
tree
2019-08-19
Sz
i
lárd P
á
ll
Bump clang-cuda post-
s
ubmit
com
p
il
e
r/C
U
DA version
commit
|
commitdiff
|
tree
2019-08-19
Sz
i
lár
d
P
á
ll
S
w
i
t
c
h to ARM
H
PC tool
c
hain v19
.
2 in pos
t
-submit
commit
|
commitdiff
|
tree
2019-08-19
S
z
ilárd Páll
W
o
r
k
around clang CUDA devi
c
e code cod
e
gen bu
g
commit
|
commitdiff
|
tree
2019-08-16
Szilárd Páll
F
ix sim_ut
i
l
.
cpp copyright h
e
ader
commit
|
commitdiff
|
tree
2019-08-15
Szilárd Páll
Fix OpenCL g
a
ther reduc
t
ion
commit
|
commitdiff
|
tree
2019-08-12
Szil
á
rd
P
á
l
l
Fix hwloc
f
ind
p
a
c
k
age n
a
ming and
q
uietness issues
commit
|
commitdiff
|
tree
2019-07-31
Sz
i
lárd Páll
Stor
e
wcycle p
o
int
e
r in
n
o
nbonded_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Fixes for F buffer ops ch
a
nge
commit
|
commitdiff
|
tree
2019-07-31
Szi
l
árd Páll
Move cycle counting into
the GPU bond
e
d module
commit
|
commitdiff
|
tree
2019-07-31
Szilárd
P
áll
Report
w
hen development feature flags are
u
s
e
d
commit
|
commitdiff
|
tree
2019-07-31
Szil
á
rd P
á
l
l
Move
e
nd
o
f ste
p
GPU
task launches
to a fu
n
ction
commit
|
commitdiff
|
tree
2019-07-25
Szil
á
rd Páll
On
l
y st
o
p the C
U
DA profiler if there are devic
e
s
commit
|
commitdiff
|
tree
2019-07-22
Szilárd Páll
Conditi
o
nally pin GPU-relat
e
d g
r
id data
commit
|
commitdiff
|
tree
2019-07-11
Szilárd Páll
Use HostVec
t
or for G
r
id/GridSet d
a
ta need o
n
-GP
U
commit
|
commitdiff
|
tree
2019-07-08
Szilárd Páll
Elimin
a
te a use
o
f double pr
e
c
ision in the GPU b
o
nded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
S
z
ilárd
Pál
l
Bu
m
p latest CUDA + gcc i
n
the pre-submit matrix
commit
|
commitdiff
|
tree
2019-07-04
S
z
ilárd Páll
Fix a -Wformat-truncation warnin
g
i
n tng
commit
|
commitdiff
|
tree
2019-07-01
Szilár
d
Páll
Refactor tracking
of
G
PU shor
t
-range wo
r
k/s
k
ip
p
ing
commit
|
commitdiff
|
tree
2019-06-30
Szilárd
P
á
ll
Create d
e
dicated subcou
n
ter for nonbo
n
ded FE
P
commit
|
commitdiff
|
tree
2019-06-28
Szi
l
árd Páll
Separate CPU
N
B ker
n
el and buffer clearin
g
subcou
n
ters
commit
|
commitdiff
|
tree
2019-06-27
S
zil
á
rd Páll
Remove already
r
esolved post-submit m
a
trix TO
D
O
commit
|
commitdiff
|
tree
2019-06-24
Szil
á
rd
P
áll
Onl
y
use
A
VX512 in own-FFTW
if GROMACS also
u
s
es
it
commit
|
commitdiff
|
tree
2019-06-19
S
zilárd Páll
Di
s
able PME GPU on Apple OpenCL
commit
|
commitdiff
|
tree
2019-05-29
Szilárd P
á
ll
Template x
buffer ops call on whether GPU is
used
commit
|
commitdiff
|
tree
2019-05-23
Szilárd
Páll
Fix m
u
litp
l
e
link ref
s
i
n d
e
v-
m
anua
l
commit
|
commitdiff
|
tree
2019-05-20
Szilárd
Páll
Improve X
b
uf
f
er ops kernel
commit
|
commitdiff
|
tree
2019-04-25
Sz
i
lárd Páll
Fix clang w
a
rning about NUL
L
use
commit
|
commitdiff
|
tree
2019-04-25
S
z
i
l
á
rd Páll
A
v
oid u
s
ing
AtomLoca
l
ity::Count as a valid value
commit
|
commitdiff
|
tree
2019-04-24
Szilárd Páll
Fix CUDA fal
l
back shmem gat
h
er reduction
commit
|
commitdiff
|
tree
2019-04-18
Sz
i
lár
d
Páll
Fix warnings & consolidate decla
r
ation
s
commit
|
commitdiff
|
tree
2019-04-16
Szilárd
Páll
Move function
s
operati
n
g on enerda
t
a
o
ut of
f
orce
.
cp
p
commit
|
commitdiff
|
tree
2019-04-16
Szilá
r
d Páll
Remove "coarse
l
oad bal
a
ncing v
a
r
s
" from forcerec
commit
|
commitdiff
|
tree
2019-04-16
S
zilárd P
á
ll
Group sch
e
me re
l
ated cleanup
commit
|
commitdiff
|
tree
2019-04-16
Szilárd
P
ál
l
Remove G
r
oup
sc
h
eme neighbor search wrapper
commit
|
commitdiff
|
tree
2019-04-15
Szilárd P
á
l
l
A
d
d
user guide
n
o
te
on AVX512
t
hr
o
t
t
l
e in GP
U
runs
commit
|
commitdiff
|
tree
2019-04-05
Sz
i
l
á
rd Páll
Revert "Temporaril
y
disable ARM HPC compi
l
er
in po
s
t
.
.
.
commit
|
commitdiff
|
tree
2019-04-05
Szi
l
árd Páll
Revert "Temp
o
rarily disable ARM HPC compi
l
er
i
n post
.
.
.
commit
|
commitdiff
|
tree
2019-04-02
Szil
á
r
d Páll
T
e
m
porarily disable
A
RM HPC compiler in post-sub
m
it
commit
|
commitdiff
|
tree
2019-04-02
Szilárd
Páll
T
emporarily disab
l
e AR
M
HPC compiler in po
s
t-subm
i
t
commit
|
commitdiff
|
tree
2019-03-28
Szilárd Páll
Bet
t
er do
c
ument GMX_OPENMP_MAX_THREADS
commit
|
commitdiff
|
tree
2019-03-26
Szilá
r
d
Páll
Skip P
B
C calcul
a
tio
n
when
t
here
are no listed forces
commit
|
commitdiff
|
tree
2019-03-26
Szi
l
árd Páll
do
_
force_cut
s
VERLET cleanup
commit
|
commitdiff
|
tree
2019-03-21
Szilárd Páll
Reorde
r
PBC setup in do_
f
orce_lo
w
level
commit
|
commitdiff
|
tree
2019-03-13
Sz
i
lárd Pál
l
Reorgani
z
e search
-
time code in do
_
f
orce_cuts
V
ERLE
T
commit
|
commitdiff
|
tree
2019-03-13
Szilárd Pá
l
l
Add
haveGpuBondedWor
k
flag to PpForceW
o
r
k
load
commit
|
commitdiff
|
tree
2019-03-13
Szilár
d
Páll
Start modularizing force workload setup
commit
|
commitdiff
|
tree
2019-03-05
Sz
i
lárd Pál
l
Relax OpenCL gath
e
r kernel barrier on
AMD
commit
|
commitdiff
|
tree
2019-03-02
Sz
i
l
á
rd
Páll
Encap
s
ulate force out
p
ut
s
etup in do_
f
orce_*
commit
|
commitdiff
|
tree
2019-03-01
Szilárd Páll
Clarify force
b
uffer setup
c
ode i
n
d
o
_f
o
rce
commit
|
commitdiff
|
tree
2019-02-19
Szilárd P
á
ll
D
isable i
n
s
t
ruc
t
i
on fusion on
P
ower8
commit
|
commitdiff
|
tree
2019-02-17
Sz
i
lárd Páll
Improve
G
PU target compatibility
e
rror m
e
ssage
commit
|
commitdiff
|
tree
2019-02-15
Szil
á
r
d
Páll
Extend
GpuEventSynch
r
onizer to allow
on-
d
evice sync
commit
|
commitdiff
|
tree
2019-02-15
Szilárd Páll
Extend p
e
r
f
ormance considerations on bo
n
ded
o
fflo
a
d
commit
|
commitdiff
|
tree
2019-02-13
Szilárd Pá
l
l
Disa
b
l
e instruct
i
o
n
f
u
sion on
Power8
commit
|
commitdiff
|
tree
2019-02-13
Szilárd Pá
l
l
Mi
n
or refactoring in
m
drun
n
ner
commit
|
commitdiff
|
tree
2019-02-12
Szilárd Páll
M
i
nor refactor of g
p
uid / task mapping pa
r
sing
commit
|
commitdiff
|
tree
2019-02-07
S
z
ilárd Páll
R
equire a
6
4-b
i
t
platfor
m
for OpenCL
commit
|
commitdiff
|
tree
2019-01-30
Szilárd
P
áll
F
i
x
double-
i
ncr
e
m
e
nt
o
f GPU NB lau
n
c
h subcount
e
r
commit
|
commitdiff
|
tree
2019-01-21
S
zil
á
rd Páll
Add CU
D
A C
C
7
.
5 (
T
uring)
s
upport with nv
c
c
commit
|
commitdiff
|
tree
2019-01-04
Szilárd Páll
Fix formatting war
n
ing
commit
|
commitdiff
|
tree
2019-01-02
Szilár
d
Páll
Fix clang 6 war
n
ing
commit
|
commitdiff
|
tree
2019-01-02
Szilárd Páll
Do not whitelist the use of
O
penCL 1
.
1 API
commit
|
commitdiff
|
tree
2018-12-31
S
zilár
d
Páll
Fix relea
s
e notes ty
p
o
commit
|
commitdiff
|
tree
2018-12-31
Szilárd
P
á
l
l
Add CUDA CC 7
.
5
(Tur
i
ng) sup
p
or
t
wi
t
h nvcc
commit
|
commitdiff
|
tree
2018-12-27
Szilárd Páll
Use std::swap in LIN
C
S
commit
|
commitdiff
|
tree
2018-12-22
Szi
l
árd Páll
Runtime
ch
e
c
k of
d
evic
e
Op
e
n
C
L support
commit
|
commitdiff
|
tree
2018-12-21
Szilárd Páll
Make j
e
nki
n
s
o
w
n-ff
t
w veri
f
y use loc
a
l tarball
commit
|
commitdiff
|
tree
2018-12-20
Sz
i
lárd Páll
Fix C
U
D
A compiled target-device compatibility check
commit
|
commitdiff
|
tree
2018-12-20
Szi
l
árd Páll
Cor
r
ect C
U
DA c
o
m
patibility c
h
eck
commit
|
commitdiff
|
tree
2018-12-20
Szilárd
P
áll
M
e
rge
"
Me
r
ge branch re
l
ease-2018 in
t
o release-2019
.
.
.
commit
|
commitdiff
|
tree
2018-12-18
Szilá
r
d
P
áll
Merge release-2019 branch into mas
t
er
commit
|
commitdiff
|
tree
2018-12-17
Szilárd Páll
Fix GMX_B
U
ILD_OWN
_
FFTW_URL CMake
c
ache e
n
try
type
commit
|
commitdiff
|
tree
2018-12-14
Szilárd Páll
Enable
ARMPL in the
armclan
g
b
u
ild
commit
|
commitdiff
|
tree
2018-12-13
S
z
ilárd Pál
l
Avoid spurious timing in bonded GPU launch subcounter
commit
|
commitdiff
|
tree
2018-12-13
Szil
á
rd Páll
Document the FP e
x
ception in c
u
FFT 7
.
0
commit
|
commitdiff
|
tree
2018-12-12
Szilá
r
d Páll
I
m
pr
o
ve DLB report/note
commit
|
commitdiff
|
tree
2018-12-11
Szilárd Páll
Tw
e
ak the bonded GPU energy copy/wait op
e
ra
t
ions
commit
|
commitdiff
|
tree
2018-12-06
Szilárd
Páll
Add
B
onded
G
PU lau
n
ch overhead cycle subcounter
commit
|
commitdiff
|
tree
2018-12-06
Szi
l
árd Páll
S
w
ap th
e
or
d
er of GPU bon
d
ed and no
n
bonded launch
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Páll
F
ix
c
o
nditio
n
al
i
n nonlocal nbnxn GPU
w
ork skipping
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Páll
S
pli
t
nb
n
x
n
input co
p
y and kernel l
a
unch
commit
|
commitdiff
|
tree
2018-12-05
Szilárd P
á
ll
Corre
c
t
t
hr
e
a
d count in the
PME GPU reductio
n
commit
|
commitdiff
|
tree
2018-11-27
Szilárd Páll
Add ARMPL s
u
p
p
ort
to admin scrip
t
commit
|
commitdiff
|
tree
2018-11-27
Sz
i
lárd
Páll
Ad
d
twe
a
ks
t
o support ARMPL for FF
T
s
commit
|
commitdiff
|
tree
2018-11-07
Szi
l
árd Páll
Re-enable the a
r
m
c
l
ang po
s
t-subm
i
t
b
u
i
ld
commit
|
commitdiff
|
tree
2018-11-07
Szil
á
rd Pál
l
Eliminate ma
c
ro that e
x
pa
n
ds to varia
b
le in
PME GPU
commit
|
commitdiff
|
tree
2018-11-07
Szilárd Páll
Ensure minimu
m
exec
wi
d
th o
f
the PME OpenCL ker
n
e
l
s
commit
|
commitdiff
|
tree
2018-10-14
Sz
i
l
á
rd Páll
F
i
x
m
o
r
e clang
-
6 war
n
ing
s
in C
U
DA code
commit
|
commitdiff
|
tree
2018-10-14
S
zilá
r
d Páll
Modern
i
z
e
OpenCL memory allo
c
at
i
on fla
g
s
commit
|
commitdiff
|
tree
2018-10-10
S
zi
l
árd Páll
Swap c
u
st
o
m OpenCL memset ker
n
el for
c
lEnqueueFillBuff
e
r
commit
|
commitdiff
|
tree
2018-10-09
Szilárd Páll
Update re
g
ressiontest ref
t
o download
commit
|
commitdiff
|
tree
2018-10-08
Szilár
d
Pál
l
Twea
k
FindFFTW A
P
I checks
commit
|
commitdiff
|
tree
2018-10-08
Szilárd
Pál
l
Fix cl
a
ng-6 w
a
rnings
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Páll
Replace some NULL with nullp
t
r in
C
U
D
A c
o
de
commit
|
commitdiff
|
tree
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