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Fix ocl_kernel target
2019-08-12
Szilárd Páll
Fi
x
hwlo
c
find package naming and qui
e
tness issues
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
S
t
ore w
c
y
cle pointer in nonbond
e
d_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
Szilárd
P
áll
F
ixes for F buffer ops
change
commit
|
commitdiff
|
tree
2019-07-31
Szi
l
á
r
d Páll
Move cycle counting
i
nto
t
h
e GP
U
bonded module
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Pál
l
R
e
po
r
t when development featu
r
e
flags ar
e
used
commit
|
commitdiff
|
tree
2019-07-31
Szilárd P
á
l
l
Move
e
nd of ste
p
GPU task
l
aunches to
a function
commit
|
commitdiff
|
tree
2019-07-25
Sz
i
lárd Páll
Only stop t
h
e CUDA profiler i
f
there are
d
evices
commit
|
commitdiff
|
tree
2019-07-22
S
z
ilárd Páll
C
onditional
l
y pin GP
U
-related g
r
i
d data
commit
|
commitdiff
|
tree
2019-07-11
Szilárd P
á
l
l
U
s
e
HostVec
t
or for
G
rid/GridSet data need on-GPU
commit
|
commitdiff
|
tree
2019-07-08
Szilá
r
d Páll
Eliminat
e
a use of double
p
recisio
n
in the GPU bonded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Sz
i
lárd Pál
l
Bump
l
atest CUDA + gcc in
t
he pre-submit
matrix
commit
|
commitdiff
|
tree
2019-07-04
Szilá
r
d Páll
Fix a -Wformat-truncati
o
n warning in tng
commit
|
commitdiff
|
tree
2019-07-01
Szilárd Páll
Refactor trac
k
ing
o
f GPU short-range
work/
s
kipping
commit
|
commitdiff
|
tree
2019-06-30
Szilár
d
Páll
Create dedicated
subco
u
nt
e
r for nonbon
d
ed FEP
commit
|
commitdiff
|
tree
2019-06-28
Szilárd Páll
Separat
e
C
P
U
N
B kerne
l
and buffer clearing
s
ubcounters
commit
|
commitdiff
|
tree
2019-06-27
Szilárd Páll
Remove
a
lready resolved post-sub
m
it mat
r
ix TODO
commit
|
commitdiff
|
tree
2019-06-24
S
z
ilárd Pál
l
Only use AVX512 in own-FFTW if GROMACS als
o
uses it
commit
|
commitdiff
|
tree
2019-06-19
S
zilárd
P
áll
Di
s
able PME
G
PU
o
n Apple OpenCL
commit
|
commitdiff
|
tree
2019-05-29
Szilár
d
Páll
Templa
t
e x buffer ops call on whether GPU
is
used
commit
|
commitdiff
|
tree
2019-05-23
Sz
i
lárd Pá
l
l
Fix mulitple l
i
nk refs
in dev-manual
commit
|
commitdiff
|
tree
2019-05-20
Szilárd Páll
Imp
r
ove X buf
f
er ops
kernel
commit
|
commitdiff
|
tree
2019-04-25
Szilárd Páll
Fix c
l
a
n
g warn
i
ng
a
bout NULL u
s
e
commit
|
commitdiff
|
tree
2019-04-25
Sz
i
lárd
P
áll
Avoid using AtomLocality::
C
ount
as a valid value
commit
|
commitdiff
|
tree
2019-04-24
Szilá
r
d Páll
Fix CUDA fall
b
ack
s
hmem ga
t
h
e
r re
d
u
ction
commit
|
commitdiff
|
tree
2019-04-18
Szilárd Páll
Fi
x
warnings & consolidate
d
e
clarations
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Move fun
c
tions operat
i
ng
on en
e
rd
a
ta
o
ut of force
.
cpp
commit
|
commitdiff
|
tree
2019-04-16
Szilárd
Páll
Remov
e
"
c
oarse
load
b
al
a
ncin
g
vars"
f
rom fo
r
cerec
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Gro
u
p scheme
r
e
lated cleanup
commit
|
commitdiff
|
tree
2019-04-16
S
z
ilá
r
d
P
áll
R
e
move
Grou
p
s
cheme nei
g
hbor search wr
a
ppe
r
commit
|
commitdiff
|
tree
2019-04-15
S
z
ilárd
P
áll
Add
u
ser gui
d
e
note
o
n AVX512 throttle in GPU
runs
commit
|
commitdiff
|
tree
2019-04-05
Sz
i
lárd Páll
R
evert "Temporarily
d
isable ARM
HPC c
o
mpile
r
i
n post
.
.
.
commit
|
commitdiff
|
tree
2019-04-05
S
z
i
l
árd Páll
Revert "Temp
o
rar
i
ly disable ARM HPC compil
e
r
in
post
.
.
.
commit
|
commitdiff
|
tree
2019-04-02
Szi
l
árd Páll
Temporari
l
y disa
b
le ARM HPC
c
o
mpiler in post-submit
commit
|
commitdiff
|
tree
2019-04-02
Szilárd Páll
Temporarily disable ARM HPC compile
r
in post-submit
commit
|
commitdiff
|
tree
2019-03-28
Szilárd Páll
Be
t
ter
document
G
M
X
_OPENMP
_
MAX_THREADS
commit
|
commitdiff
|
tree
2019-03-26
S
zilárd Páll
Skip P
B
C calculatio
n
when there are no listed forces
commit
|
commitdiff
|
tree
2019-03-26
Szilárd P
á
ll
do
_
force_cutsVE
R
LET
c
leanup
commit
|
commitdiff
|
tree
2019-03-21
Szil
á
rd Pá
l
l
Reorder PBC se
t
up in do_for
c
e_
l
owlevel
commit
|
commitdiff
|
tree
2019-03-13
S
z
ilárd Páll
Reo
r
ganize search
-
tim
e
co
d
e in do_force_cutsVERLET
commit
|
commitdiff
|
tree
2019-03-13
Szilárd Páll
Add
h
aveG
p
uBo
n
d
e
d
W
ork
f
lag t
o
PpForce
W
orkload
commit
|
commitdiff
|
tree
2019-03-13
Szilár
d
Pá
l
l
Start modularizing force w
o
r
k
load
setup
commit
|
commitdiff
|
tree
2019-03-05
Szil
á
rd
Páll
Rel
a
x OpenCL gather kernel barrier on AMD
commit
|
commitdiff
|
tree
2019-03-02
Szilárd Páll
Enca
p
su
l
ate force output setup
i
n
do_f
o
rce_*
commit
|
commitdiff
|
tree
2019-03-01
Szilárd Páll
Clari
f
y f
o
rce buf
f
e
r
setup code in do_force
commit
|
commitdiff
|
tree
2019-02-19
Szilá
r
d Pá
l
l
Disabl
e
inst
r
uct
i
o
n fus
i
on
o
n
Power8
commit
|
commitdiff
|
tree
2019-02-17
Szilárd Páll
Improve G
P
U target compatibi
l
ity error me
s
sage
commit
|
commitdiff
|
tree
2019-02-15
Szil
á
rd Páll
Extend GpuEventSynchroniz
e
r to a
l
l
ow on-
d
ev
i
ce
s
y
nc
commit
|
commitdiff
|
tree
2019-02-15
Szilárd Páll
Extend perform
a
nce
c
o
n
s
i
derat
i
o
n
s on bonded offload
commit
|
commitdiff
|
tree
2019-02-13
Szilá
r
d Páll
Disab
l
e
instruction fusion on
P
ower8
commit
|
commitdiff
|
tree
2019-02-13
Szil
á
rd
Páll
Min
o
r refa
c
toring
i
n
mdru
n
nner
commit
|
commitdiff
|
tree
2019-02-12
Szilárd Páll
Minor re
f
acto
r
of gpu
i
d / task mapping parsing
commit
|
commitdiff
|
tree
2019-02-07
Szilárd Páll
Require
a
64-bit platfo
r
m for O
p
enCL
commit
|
commitdiff
|
tree
2019-01-30
S
z
il
á
r
d Páll
Fi
x
double
-
increment of GP
U
NB launch subcou
n
te
r
commit
|
commitdiff
|
tree
2019-01-21
Szilár
d
Páll
Add CUDA CC 7
.
5 (T
u
r
i
ng
)
support with nvcc
commit
|
commitdiff
|
tree
2019-01-04
S
z
i
lárd
Pá
l
l
Fix form
a
tting warning
commit
|
commitdiff
|
tree
2019-01-02
Szilárd Pá
l
l
Fix c
l
ang 6 warning
commit
|
commitdiff
|
tree
2019-01-02
Sz
i
lár
d
Páll
Do not whitelist
the us
e
of OpenC
L
1
.
1
API
commit
|
commitdiff
|
tree
2018-12-31
Szilárd
P
áll
Fi
x
release notes typo
commit
|
commitdiff
|
tree
2018-12-31
Szilárd Páll
Add
CUDA CC
7
.
5
(Turin
g
) supp
o
r
t with nv
c
c
commit
|
commitdiff
|
tree
2018-12-27
Szilárd P
á
ll
Use std::swap in LINCS
commit
|
commitdiff
|
tree
2018-12-22
Szilárd Páll
Runtime check of device O
p
enC
L
suppo
r
t
commit
|
commitdiff
|
tree
2018-12-21
Szilárd
P
áll
Make je
n
kins own-fftw verify
u
s
e lo
c
al
tarbal
l
commit
|
commitdiff
|
tree
2018-12-20
S
z
i
l
á
rd Páll
Fix CU
D
A com
p
iled target-device
c
ompa
t
ibility check
commit
|
commitdiff
|
tree
2018-12-20
Szilárd Páll
Correct CUDA compatibility check
commit
|
commitdiff
|
tree
2018-12-20
Szi
l
á
rd Páll
Merge "Merge branch release-2018
i
n
to release-201
9
.
.
.
commit
|
commitdiff
|
tree
2018-12-18
Sz
i
lárd Páll
Merge
r
eleas
e
-2019
branch into m
a
ster
commit
|
commitdiff
|
tree
2018-12-17
Sz
i
l
árd Páll
Fix GMX_BUIL
D
_OW
N
_
FFTW
_
URL CM
a
k
e c
a
che entry type
commit
|
commitdiff
|
tree
2018-12-14
Sz
i
lárd Pál
l
Enable ARMPL in the armclang build
commit
|
commitdiff
|
tree
2018-12-13
Szi
l
á
rd Páll
Avo
i
d
spurio
u
s t
i
min
g
in
b
o
nded GPU
l
aunch su
b
counte
r
commit
|
commitdiff
|
tree
2018-12-13
Szilárd Páll
Doc
u
ment the
F
P exception in c
u
FFT 7
.
0
commit
|
commitdiff
|
tree
2018-12-12
Szilárd
P
áll
Improve D
L
B report/note
commit
|
commitdiff
|
tree
2018-12-11
Szilárd Páll
Twe
a
k
t
he bonded GPU energy
copy/wai
t
operati
o
ns
commit
|
commitdiff
|
tree
2018-12-06
S
z
ilárd Páll
Add Bond
e
d GPU l
a
un
c
h
ov
e
r
head
c
yc
l
e subcounter
commit
|
commitdiff
|
tree
2018-12-06
Szil
á
rd
Páll
Swap the
or
d
er of GPU bonded a
n
d nonbonded laun
c
h
commit
|
commitdiff
|
tree
2018-12-06
S
zilár
d
Páll
F
i
x c
o
nditional
i
n non
l
ocal nbnxn GPU work skipping
commit
|
commitdiff
|
tree
2018-12-06
Szil
á
rd
Páll
Split nbn
x
n input copy and kernel
la
u
n
ch
commit
|
commitdiff
|
tree
2018-12-05
S
z
ilárd Páll
Correct thread count in
th
e
PME GPU r
e
d
u
ction
commit
|
commitdiff
|
tree
2018-11-27
S
z
ilárd Páll
Add ARMPL support to admin
s
cript
commit
|
commitdiff
|
tree
2018-11-27
Szilárd Páll
Add twe
a
ks to su
p
port
A
RMPL
f
or FFTs
commit
|
commitdiff
|
tree
2018-11-07
Sz
i
lárd
Páll
R
e
-enable the armclang post-submit build
commit
|
commitdiff
|
tree
2018-11-07
S
z
ilárd
Páll
Eliminat
e
ma
c
ro that expands to va
r
iable in PME GPU
commit
|
commitdiff
|
tree
2018-11-07
S
zi
l
árd Pá
l
l
Ensu
r
e
m
inimum e
x
ec width of the PME O
p
enC
L
ke
r
n
e
ls
commit
|
commitdiff
|
tree
2018-10-14
Szilárd P
á
ll
Fix more clang-6 warni
n
g
s
in
CU
D
A code
commit
|
commitdiff
|
tree
2018-10-14
Szilárd Páll
Modernize O
p
enCL
m
emory
a
llocation
flag
s
commit
|
commitdiff
|
tree
2018-10-10
Szilárd
P
áll
S
w
a
p
custom OpenC
L
mem
s
et kernel for
c
l
Enqu
e
ueFillBuffer
commit
|
commitdiff
|
tree
2018-10-09
Szilárd P
á
ll
Update r
e
g
r
ession
t
est ref to down
l
oad
commit
|
commitdiff
|
tree
2018-10-08
S
z
ilárd Páll
Tweak FindFFTW
A
P
I chec
k
s
commit
|
commitdiff
|
tree
2018-10-08
Szilárd P
á
ll
Fi
x
c
l
ang-6 wa
r
nin
g
s
commit
|
commitdiff
|
tree
2018-10-08
Szil
á
rd
P
á
l
l
R
eplace some NULL
w
ith n
u
l
l
p
tr
i
n
C
U
D
A
co
d
e
commit
|
commitdiff
|
tree
2018-10-07
Szilá
r
d
Pál
l
Use new GPU sl
a
ve for A
M
D
O
p
e
n
CL verif
y
runs
commit
|
commitdiff
|
tree
2018-10-05
Szilárd Páll
Update test ma
t
rice
s
with new GPU specifiers
commit
|
commitdiff
|
tree
2018-09-29
Szilárd Pál
l
Fix co
n
st
r
aints cycle counti
n
g
commit
|
commitdiff
|
tree
2018-09-21
Szilárd Páll
B
ump
t
est t
i
me
o
ut only for
O
p
e
n
CL integra
t
ion t
e
sts
commit
|
commitdiff
|
tree
2018-08-28
S
z
ilá
r
d P
á
ll
Quiet
c
make about clFF
T
not found after fi
r
st r
u
n
commit
|
commitdiff
|
tree
2018-08-21
Szilárd Páll
Re
q
uest flush
i
ng den
o
rms to zero in OpenCL
commit
|
commitdiff
|
tree
2018-08-20
Szilárd
P
áll
Disable
sing
l
e compilation unit wit
h
CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-08-15
Szilárd Pá
l
l
Improve GPU de
t
ection sanity check
error m
e
ssage
commit
|
commitdiff
|
tree
2018-07-30
Szilárd P
á
ll
Move out O
p
enCL dev
i
ce utils from vectype
o
ps
commit
|
commitdiff
|
tree
2018-07-30
Szi
l
á
rd Páll
Improve th
e
robustness of the nvcc CMak
e
check
commit
|
commitdiff
|
tree
2018-07-30
Szil
á
rd
P
áll
Fix nvcc host com
p
iler check
trig
g
ering
commit
|
commitdiff
|
tree
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