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Fix GPU X buffer ops with empty domain
2019-09-13
Szi
l
árd Páll
Fix
GPU X buffer
o
ps with empty
d
omain
commit
|
commitdiff
|
tree
2019-09-12
Szi
l
árd Pá
l
l
Reorganize o
n
-GPU PME force redu
c
tion flag hand
l
ing
commit
|
commitdiff
|
tree
2019-09-11
Szilár
d
Páll
Fix gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
Elimi
n
a
te r
a
w force flags i
n
d
o
_
for
c
e_lowlevel()
commit
|
commitdiff
|
tree
2019-09-10
Sz
i
lárd Páll
Use thre
a
d-
M
P
I
in the gpucom
m
matri
x
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Páll
Assert the types of OpenCL kerne
l
s argume
n
ts
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Páll
P
a
ss g
m
x::
F
o
r
ceFlags to CPU nbn
x
m dispat
c
h code
commit
|
commitdiff
|
tree
2019-09-09
Szil
á
rd Páll
Pass the new g
m
x::
F
orceF
l
ags to the nbnx
m
module
commit
|
commitdiff
|
tree
2019-09-06
Szil
á
rd
Pál
l
Add gp
u
update and
gpuco
m
m
OnDemand tokens
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Bump ARM H
P
C
toolcha
i
n in
post-submit to v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Pá
l
l
Add ba
c
k a
clang-tid
y
e
xcept
i
on
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Cent
r
alize more
M
D/force shedu
l
e f
l
a
g
s
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
Add clang-tidy nightly test with SIMD + OpenCL
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
Mo
v
e n
o
nbonded G
P
U wait
timi
n
g into the GPU module
commit
|
commitdiff
|
tree
2019-08-25
S
z
i
lárd
P
áll
clang-t
i
dy 8 fi
x
es for
t
he GPU hos
t
code-path
commit
|
commitdiff
|
tree
2019-08-25
S
z
i
l
árd P
á
ll
F
urther fixes f
o
r clang-tid
y
clan
g
v
e
rsion
8
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Pá
l
l
Fix
c
l
a
ng-tidy warnings in th
e
OpenCL build
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Pál
l
Fix
cla
n
g tidy warnings i
n
CUDA
b
u
i
l
d
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Páll
Bump clang-cuda post-submi
t
c
o
m
p
iler/C
U
DA version
commit
|
commitdiff
|
tree
2019-08-19
S
zilárd Páll
Switch to ARM HPC t
o
olchain v
1
9
.
2
i
n
p
o
st-s
u
b
mit
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Pál
l
Work
a
r
ound clang C
U
D
A
device code co
d
egen bug
commit
|
commitdiff
|
tree
2019-08-16
Szilárd Páll
Fix sim_util
.
cpp copyri
g
ht he
a
der
commit
|
commitdiff
|
tree
2019-08-15
Szilárd P
á
ll
Fix
OpenCL ga
t
her reduc
t
ion
commit
|
commitdiff
|
tree
2019-08-12
Szilárd Pál
l
Fix hwloc find pa
c
kage nami
n
g
a
nd quietness issues
commit
|
commitdiff
|
tree
2019-07-31
Szilár
d
P
á
ll
Store
wc
y
cle po
i
n
ter in nonbonded_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
Sz
i
lár
d
Páll
Fixes for F bu
f
fer
o
ps chang
e
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Pá
l
l
Move cycle
co
u
nting into t
h
e
G
PU
b
o
n
ded
m
o
dule
commit
|
commitdiff
|
tree
2019-07-31
Szilá
r
d Páll
Rep
o
rt when
d
e
velopment feature flags are used
commit
|
commitdiff
|
tree
2019-07-31
S
z
i
lá
r
d Páll
Move e
n
d of step GPU task
launches to a func
t
ion
commit
|
commitdiff
|
tree
2019-07-25
S
z
ilár
d
P
á
l
l
On
l
y s
t
o
p
t
he CUDA pro
f
il
e
r
if there
a
re device
s
commit
|
commitdiff
|
tree
2019-07-22
S
z
ilá
r
d Pá
l
l
Conditionally pin GPU-related g
r
i
d
data
commit
|
commitdiff
|
tree
2019-07-11
Szilá
r
d Pá
l
l
Us
e
Hos
t
Vector
for Grid/GridSet data
n
e
e
d on-GPU
commit
|
commitdiff
|
tree
2019-07-08
Sz
i
lárd Páll
El
i
minate a use of d
o
uble precision in
the GPU bond
e
d
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szilár
d
Páll
Bum
p
late
s
t C
U
DA + g
c
c in t
h
e
pre-submit
m
a
t
r
i
x
commit
|
commitdiff
|
tree
2019-07-04
Szilárd Pál
l
Fix a
-
Wform
a
t-tru
n
cation wa
r
ning in
t
ng
commit
|
commitdiff
|
tree
2019-07-01
Szilárd Pá
l
l
Refactor tracking o
f
GPU short-range work/
s
kipping
commit
|
commitdiff
|
tree
2019-06-30
Szi
l
á
rd
P
áll
Create de
d
icated su
b
c
o
unter fo
r
non
b
onded
F
EP
commit
|
commitdiff
|
tree
2019-06-28
Szil
á
rd Pál
l
Sepa
r
a
t
e CPU NB kernel a
n
d buffer
c
lea
r
in
g
s
ubc
o
u
n
ters
commit
|
commitdiff
|
tree
2019-06-27
Szil
á
r
d
Pá
l
l
Remove alread
y
resolved pos
t
-submi
t
ma
t
rix TOD
O
commit
|
commitdiff
|
tree
2019-06-24
Szilá
r
d Páll
On
l
y use AVX512 in own-FFTW if GR
O
MACS a
l
so uses it
commit
|
commitdiff
|
tree
2019-06-19
S
z
ilárd Páll
D
isable PME GPU on
Ap
p
le OpenCL
commit
|
commitdiff
|
tree
2019-05-29
S
z
ilárd Páll
T
empl
a
te x buff
e
r ops call on
whether
G
P
U
is
u
sed
commit
|
commitdiff
|
tree
2019-05-23
Szilárd Páll
Fix mulitple l
i
nk refs in dev-manual
commit
|
commitdiff
|
tree
2019-05-20
Szilárd Páll
Improve X
b
u
ffer o
p
s kern
e
l
commit
|
commitdiff
|
tree
2019-04-25
Szilárd
Páll
F
ix clan
g
warning
about NULL
u
s
e
commit
|
commitdiff
|
tree
2019-04-25
Szilárd Pál
l
Avoid using AtomLocalit
y
::Count
as
a valid value
commit
|
commitdiff
|
tree
2019-04-24
Szi
l
árd P
á
l
l
Fix CUDA
f
allback shmem gather reduction
commit
|
commitdiff
|
tree
2019-04-18
Szilárd Páll
Fix warnin
g
s & consolidate de
c
larat
i
o
ns
commit
|
commitdiff
|
tree
2019-04-16
Sz
i
lárd Páll
Move functions
o
perating on
enerdata out of fo
r
ce
.
cpp
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
R
e
move "
c
oars
e
load
balancing vars" from forcerec
commit
|
commitdiff
|
tree
2019-04-16
Szilár
d
Páll
Gr
o
up
s
c
heme
r
ela
t
ed cleanup
commit
|
commitdiff
|
tree
2019-04-16
S
zilárd Pá
l
l
Remov
e
Group scheme neighbor s
e
arch
w
r
app
e
r
commit
|
commitdiff
|
tree
2019-04-15
Szilárd Páll
Ad
d
user
g
uide note on AVX512 thro
t
t
le in GP
U
runs
commit
|
commitdiff
|
tree
2019-04-05
Szil
á
rd Páll
Rev
e
rt "Tem
p
o
rarily
disable ARM
H
P
C
compiler in post
.
.
.
commit
|
commitdiff
|
tree
2019-04-05
S
z
ilá
r
d Páll
R
e
vert "Te
m
porarily disable A
R
M H
P
C compiler in p
o
st
.
.
.
commit
|
commitdiff
|
tree
2019-04-02
Szil
á
r
d Páll
Te
m
porari
l
y disable ARM HP
C
com
p
iler
in post-submit
commit
|
commitdiff
|
tree
2019-04-02
Szilárd Páll
T
e
mporarily d
i
sable
A
R
M
H
PC
co
m
piler in po
s
t-submit
commit
|
commitdiff
|
tree
2019-03-28
S
zilárd Páll
Better docum
e
nt GMX
_
OPENMP_MAX_THRE
A
DS
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Pál
l
S
k
i
p PBC c
a
lcul
a
tion
w
hen ther
e
are no listed
forces
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Páll
do_forc
e
_
c
u
t
sVE
R
LE
T
cleanup
commit
|
commitdiff
|
tree
2019-03-21
Sz
i
lárd Pá
l
l
Re
o
r
der PBC setup in do_
f
orce_lowlevel
commit
|
commitdiff
|
tree
2019-03-13
Szilár
d
Páll
Reorgan
i
ze s
e
arch-t
i
me code in
d
o_fo
r
ce_cutsVERLET
commit
|
commitdiff
|
tree
2019-03-13
S
zilárd Páll
Add haveGp
u
Bonde
d
Wor
k
flag to PpForceWorklo
a
d
commit
|
commitdiff
|
tree
2019-03-13
Sz
i
lárd
P
áll
Start modular
i
zing
f
or
c
e workload
s
etup
commit
|
commitdiff
|
tree
2019-03-05
Szi
l
árd P
á
ll
Relax Op
e
nCL
gather kernel barrier
o
n AMD
commit
|
commitdiff
|
tree
2019-03-02
Szilá
r
d P
á
ll
Encapsulate force o
u
t
put setup in d
o
_force_*
commit
|
commitdiff
|
tree
2019-03-01
Szilár
d
Páll
C
l
a
rify
f
orc
e
buffer setup code i
n
do_forc
e
commit
|
commitdiff
|
tree
2019-02-19
S
z
ilárd Páll
D
i
sable instruct
i
on fus
i
on on
P
ower8
commit
|
commitdiff
|
tree
2019-02-17
S
zilárd Páll
Improve GPU targ
e
t com
p
atibility error
messa
g
e
commit
|
commitdiff
|
tree
2019-02-15
Szilá
r
d Páll
E
xtend
Gp
u
EventSynchr
o
n
izer to a
l
low on-device
s
ync
commit
|
commitdiff
|
tree
2019-02-15
Szilárd
P
áll
Extend performance consid
e
ra
t
ions on bonde
d
offload
commit
|
commitdiff
|
tree
2019-02-13
Sz
i
lárd Páll
Disab
l
e
i
nstr
u
ctio
n
fusion on Powe
r
8
commit
|
commitdiff
|
tree
2019-02-13
Szilárd
P
áll
Mi
n
or
r
efactor
i
n
g
i
n md
r
unnner
commit
|
commitdiff
|
tree
2019-02-12
Szilá
r
d Páll
Min
o
r
refactor
o
f gpuid
/ tas
k
mappin
g
pars
i
ng
commit
|
commitdiff
|
tree
2019-02-07
Szilárd Páll
Require a 64-bit pl
a
t
form f
o
r Op
e
nCL
commit
|
commitdiff
|
tree
2019-01-30
S
z
ilárd Páll
Fix
d
ouble-in
c
rement of
GPU
NB launc
h
subcounter
commit
|
commitdiff
|
tree
2019-01-21
S
zilá
r
d Páll
Add
CUDA CC 7
.
5 (Turing) support with n
v
c
c
commit
|
commitdiff
|
tree
2019-01-04
S
zil
á
rd P
á
ll
Fix
f
o
r
matting warning
commit
|
commitdiff
|
tree
2019-01-02
Szi
l
á
r
d Páll
Fix cla
n
g 6 w
a
rning
commit
|
commitdiff
|
tree
2019-01-02
S
z
ilárd Pál
l
D
o
n
ot white
l
ist the use of O
p
enCL 1
.
1 API
commit
|
commitdiff
|
tree
2018-12-31
S
zilárd Páll
Fix
r
e
lease not
e
s typo
commit
|
commitdiff
|
tree
2018-12-31
Szi
l
árd Páll
Add CUDA
CC 7
.
5 (Turing) suppor
t
with nvcc
commit
|
commitdiff
|
tree
2018-12-27
Szilárd
P
áll
Use std:
:
sw
a
p in LINCS
commit
|
commitdiff
|
tree
2018-12-22
Szilárd P
á
ll
Runtim
e
ch
e
ck of dev
i
ce Open
C
L support
commit
|
commitdiff
|
tree
2018-12-21
Szilárd Páll
M
a
ke jenki
n
s own
-
fftw verify use lo
c
a
l
ta
r
ball
commit
|
commitdiff
|
tree
2018-12-20
Szilárd
Páll
F
ix
C
UDA compi
l
ed target
-
device c
o
mpatibili
t
y
check
commit
|
commitdiff
|
tree
2018-12-20
Sz
i
lárd
P
ál
l
Correct
C
UDA
compatibilit
y
c
h
e
c
k
commit
|
commitdiff
|
tree
2018-12-20
Szilárd Páll
Merge "M
e
rge branch release-2018 i
n
t
o
release-2019
.
.
.
commit
|
commitdiff
|
tree
2018-12-18
Sz
i
lá
r
d
Páll
Merge release-
2
0
19
b
r
anch into master
commit
|
commitdiff
|
tree
2018-12-17
Szilárd Páll
Fix GMX_B
U
ILD_OWN_FFTW_URL CM
a
ke cache en
t
ry type
commit
|
commitdiff
|
tree
2018-12-14
Szi
l
árd P
á
ll
E
n
able ARMPL in th
e
armcl
a
n
g
build
commit
|
commitdiff
|
tree
2018-12-13
S
z
i
lárd Páll
Avoi
d
s
purious timi
n
g
in bonde
d
GPU
l
a
u
nch subco
u
nter
commit
|
commitdiff
|
tree
2018-12-13
Szi
l
árd Páll
Document the FP excepti
o
n in
c
uFFT 7
.
0
commit
|
commitdiff
|
tree
2018-12-12
Szilárd
P
áll
Improve DLB report/note
commit
|
commitdiff
|
tree
2018-12-11
Szilárd Pál
l
Twe
a
k
the bonded GPU ener
g
y copy/wait operations
commit
|
commitdiff
|
tree
2018-12-06
S
z
ilár
d
Páll
Add
B
o
n
ded GPU launc
h
overhead cy
c
l
e
subcounter
commit
|
commitdiff
|
tree
2018-12-06
Szilárd P
á
ll
Swap th
e
order of GPU bonded and nonbonded launch
commit
|
commitdiff
|
tree
2018-12-06
Szilá
r
d
Pá
l
l
Fix co
n
ditional i
n
nonlocal nbnxn GPU w
o
r
k
skipping
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Páll
Split
nbn
x
n input copy and kerne
l
l
aunch
commit
|
commitdiff
|
tree
2018-12-05
S
zilár
d
Páll
Correct thread count in the
P
ME GP
U
reduction
commit
|
commitdiff
|
tree
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