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Change the file structure in constraints tests
2019-07-31
Szilárd
Páll
Store wcycle pointer in nonbonded_verlet_t
commit
|
commitdiff
|
tree
2019-07-31
Szilá
r
d P
á
ll
Fixes
for F buffe
r
ops change
commit
|
commitdiff
|
tree
2019-07-31
S
zilárd Páll
Move cy
c
le counting
i
nto the GPU bonde
d
m
o
dule
commit
|
commitdiff
|
tree
2019-07-31
S
z
ilá
r
d Pál
l
Re
p
ort when d
e
ve
l
o
p
ment featu
r
e flags
a
r
e used
commit
|
commitdiff
|
tree
2019-07-31
Sz
i
lárd Pá
l
l
M
ove end of step
G
PU task la
u
n
c
hes to a fu
n
ctio
n
commit
|
commitdiff
|
tree
2019-07-25
S
z
ilá
r
d
P
ál
l
Only stop the
CUDA prof
i
ler
i
f
ther
e
are dev
i
ces
commit
|
commitdiff
|
tree
2019-07-22
S
zi
l
árd
P
á
ll
Conditiona
l
ly pin G
P
U
-
r
e
lated gr
i
d d
a
ta
commit
|
commitdiff
|
tree
2019-07-11
Szilárd P
á
l
l
U
se Ho
s
tVector for Grid/GridSet da
t
a
ne
e
d on-GPU
commit
|
commitdiff
|
tree
2019-07-08
S
z
ilárd Páll
E
liminate a u
s
e
o
f doubl
e
preci
s
ion
i
n the GPU
bonded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szi
l
ár
d
Páll
Bump latest CUDA +
g
c
c in
t
he pre-submit mat
r
ix
commit
|
commitdiff
|
tree
2019-07-04
Szilárd Páll
Fix
a -Wformat-tru
n
cati
o
n warning in
t
ng
commit
|
commitdiff
|
tree
2019-07-01
Szilárd Pá
l
l
R
efactor tracki
n
g of GPU short-range work/s
k
i
p
ping
commit
|
commitdiff
|
tree
2019-06-30
Sz
i
l
á
r
d Páll
Create d
e
dica
t
ed subcounte
r
f
or non
b
on
d
ed FEP
commit
|
commitdiff
|
tree
2019-06-28
Szilár
d
Páll
Separate
C
PU NB
k
ernel and
buffer cle
a
r
i
ng subco
u
nters
commit
|
commitdiff
|
tree
2019-06-27
Sz
i
lá
r
d Páll
Re
m
ove alrea
d
y
r
esol
v
ed po
s
t-
s
u
b
m
i
t
matrix TO
D
O
commit
|
commitdiff
|
tree
2019-06-24
Szil
á
r
d
Páll
Only u
s
e AVX5
1
2
in own-FFTW if GROMACS
a
lso uses it
commit
|
commitdiff
|
tree
2019-05-29
Sz
i
lárd Páll
Template x buffer
ops ca
l
l on
w
he
t
her GPU is used
commit
|
commitdiff
|
tree
2019-05-23
Szilárd P
á
l
l
Fix mulitple link refs i
n
dev-m
a
nual
commit
|
commitdiff
|
tree
2019-05-20
Szilá
r
d
Páll
Improve X b
u
ffer
ops kernel
commit
|
commitdiff
|
tree
2019-04-25
Szilár
d
P
á
l
l
Fix clang
w
a
r
ning about NULL
u
se
commit
|
commitdiff
|
tree
2019-04-25
Szilárd Páll
Avoid using AtomL
o
calit
y
::Count as a vali
d
value
commit
|
commitdiff
|
tree
2019-04-24
Szilárd Páll
Fix
CUDA f
a
llba
c
k shm
e
m
g
ather re
d
uction
commit
|
commitdiff
|
tree
2019-04-18
S
zilárd
P
á
l
l
Fix warnin
g
s
&
c
o
nsolidate declarations
commit
|
commitdiff
|
tree
2019-04-16
Sz
i
lá
r
d Páll
Move
functions
o
p
erating on en
e
rdata out of forc
e
.
c
p
p
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Remove
"
c
oarse loa
d
balancing vars"
fro
m
forcer
e
c
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Group scheme related cleanup
commit
|
commitdiff
|
tree
2019-04-16
S
z
i
lárd Páll
Re
m
ove Group sche
m
e neighbor search wrapper
commit
|
commitdiff
|
tree
2019-04-05
Szilárd
Páll
Revert "Temporarily disable ARM
H
PC compiler
in
post
.
.
.
commit
|
commitdiff
|
tree
2019-04-02
Szilárd Páll
Temporar
i
ly disable ARM
H
PC
c
ompile
r
i
n post-submit
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Pá
l
l
Skip
PBC calculation
w
hen there a
r
e n
o
listed forces
commit
|
commitdiff
|
tree
2019-03-26
Szilárd Páll
do_force_cut
s
VE
R
LET cleanu
p
commit
|
commitdiff
|
tree
2019-03-21
S
zilárd Páll
Reorder PB
C
setup in d
o
_force_l
o
wlevel
commit
|
commitdiff
|
tree
2019-03-13
Szi
l
árd P
á
ll
Reorganize se
a
rch-time code in do_force_
c
uts
V
ERLET
commit
|
commitdiff
|
tree
2019-03-13
Szilárd Páll
Add haveGpuBondedWork
flag to
P
p
ForceWorkload
commit
|
commitdiff
|
tree
2019-03-13
S
zil
á
rd Páll
Start modularizing
f
orce workloa
d
setup
commit
|
commitdiff
|
tree
2019-03-02
Sz
i
lárd Páll
E
ncapsulate force
output setup in do_force_*
commit
|
commitdiff
|
tree
2019-03-01
Szilárd Páll
Clarify force buffer
s
etup
c
o
de in do_force
commit
|
commitdiff
|
tree
2019-02-17
Szi
l
ár
d
P
á
ll
Improv
e
G
PU target compatibility error message
commit
|
commitdiff
|
tree
2019-02-15
Szilárd Pá
l
l
E
x
t
e
n
d
GpuEventSynchronizer to allow on-device
sync
commit
|
commitdiff
|
tree
2019-02-15
S
z
ilárd P
á
ll
Exten
d
perform
a
nce co
n
s
id
e
rations
on bo
n
ded offlo
a
d
commit
|
commitdiff
|
tree
2019-02-13
Szilárd
Páll
Disable i
n
struction fusion on Po
w
er
8
commit
|
commitdiff
|
tree
2019-02-13
Szilárd P
á
l
l
Mino
r
r
efactoring in mdrunnner
commit
|
commitdiff
|
tree
2019-02-12
Szi
l
árd P
á
ll
Minor re
f
actor of gpuid / task mapping
parsing
commit
|
commitdiff
|
tree
2019-02-07
S
zilárd Páll
Require a
64-bi
t
platform for O
p
enCL
commit
|
commitdiff
|
tree
2019-01-30
Szilárd Pá
l
l
F
i
x double
-
increment of
GPU NB l
a
unch sub
c
o
unter
commit
|
commitdiff
|
tree
2019-01-21
S
z
ilárd Pál
l
Add CU
D
A CC 7
.
5 (Turing)
su
p
p
o
rt with nvcc
commit
|
commitdiff
|
tree
2019-01-04
Szilárd Pál
l
Fix
f
ormatting warning
commit
|
commitdiff
|
tree
2019-01-02
Szil
á
rd Páll
Fix clan
g
6 warning
commit
|
commitdiff
|
tree
2019-01-02
Szilárd Pál
l
Do not whi
t
e
l
i
s
t
the us
e
of OpenCL 1
.
1 API
commit
|
commitdiff
|
tree
2018-12-31
Szilárd Páll
Fix release notes typo
commit
|
commitdiff
|
tree
2018-12-31
Szilá
r
d Páll
A
d
d CUD
A
C
C
7
.
5 (T
u
r
i
ng) support wit
h
n
v
cc
commit
|
commitdiff
|
tree
2018-12-27
Szilárd Páll
Use
std::s
w
a
p
in LINCS
commit
|
commitdiff
|
tree
2018-12-22
Sz
i
lárd Páll
Runtime
check
o
f device OpenCL support
commit
|
commitdiff
|
tree
2018-12-21
Sz
i
lárd Páll
Make jenkins own-fftw verify
u
se l
o
cal tarball
commit
|
commitdiff
|
tree
2018-12-20
S
z
ilárd
P
á
ll
Fix CUDA c
o
m
piled target-device compat
i
bility chec
k
commit
|
commitdiff
|
tree
2018-12-20
S
z
il
á
rd
P
áll
Correct C
U
D
A
c
ompatibility check
commit
|
commitdiff
|
tree
2018-12-20
Szilárd Páll
Merge "Me
r
g
e
b
ranch re
l
ease-2018 into release-2019
.
.
.
commit
|
commitdiff
|
tree
2018-12-18
S
zilárd Páll
Me
r
ge release-2019 branch into master
commit
|
commitdiff
|
tree
2018-12-17
S
z
ilárd Pál
l
F
i
x GMX_BUILD_OWN_FFTW
_
URL
C
Make cache entry type
commit
|
commitdiff
|
tree
2018-12-14
Szi
l
árd Páll
Enab
l
e ARMPL in the
a
rmc
l
a
n
g build
commit
|
commitdiff
|
tree
2018-12-13
Szilárd Páll
Avoid
spurious
timi
n
g in bon
d
ed
GP
U
launch subcounter
commit
|
commitdiff
|
tree
2018-12-13
Szilárd Páll
Document
t
he
FP e
x
ceptio
n
in c
u
FFT 7
.
0
commit
|
commitdiff
|
tree
2018-12-12
Szilárd Páll
Improve DLB report/note
commit
|
commitdiff
|
tree
2018-12-11
S
z
ilárd Pá
l
l
Tweak the
b
onde
d
G
PU
e
nergy cop
y
/wait op
e
rations
commit
|
commitdiff
|
tree
2018-12-06
S
z
i
l
árd Páll
A
d
d
Bonded GPU launch overhe
a
d cycle sub
c
ounter
commit
|
commitdiff
|
tree
2018-12-06
Szilár
d
Pál
l
Swa
p
the order of GPU bon
d
e
d
and nonbonded
l
aunc
h
commit
|
commitdiff
|
tree
2018-12-06
Szilá
r
d Páll
Fix conditional in nonlocal nbnxn GPU work skipp
i
ng
commit
|
commitdiff
|
tree
2018-12-06
Szi
l
árd Páll
Spli
t
nbnxn input
copy and
kernel launch
commit
|
commitdiff
|
tree
2018-12-05
Szilárd Páll
Correct thread count
in the PME
GPU reduction
commit
|
commitdiff
|
tree
2018-11-27
Szilár
d
Páll
A
dd ARMPL sup
p
ort
t
o
admin script
commit
|
commitdiff
|
tree
2018-11-27
S
z
il
á
r
d
Pá
l
l
Add tweaks
to support ARMPL for FFTs
commit
|
commitdiff
|
tree
2018-11-07
S
z
ilárd P
á
ll
Re-enable th
e
armclang post-sub
m
it build
commit
|
commitdiff
|
tree
2018-11-07
Szilárd
P
áll
E
l
i
mi
n
a
te ma
c
r
o
that expands t
o
variable i
n
PME GPU
commit
|
commitdiff
|
tree
2018-11-07
Szilárd Páll
En
s
ure minimum
exec width o
f
the PME
O
p
enCL kernels
commit
|
commitdiff
|
tree
2018-10-14
Szilárd P
á
ll
Fix
m
ore cla
n
g-6 warnings
i
n
C
UDA cod
e
commit
|
commitdiff
|
tree
2018-10-14
Szilárd P
á
ll
M
odernize
O
penC
L
memor
y
allocation
f
lags
commit
|
commitdiff
|
tree
2018-10-10
Szilárd Páll
Swap custom OpenCL memset kernel for clEnque
u
eF
i
l
l
Buffer
commit
|
commitdiff
|
tree
2018-10-09
Szilá
r
d Páll
Update r
e
gressi
o
n
test ref to download
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Páll
Tweak FindFFT
W
API che
c
ks
commit
|
commitdiff
|
tree
2018-10-08
Szilárd
P
áll
Fix clang-6 war
n
ing
s
commit
|
commitdiff
|
tree
2018-10-08
Szi
l
á
r
d
P
ál
l
Replace some NULL with nullptr
i
n CUDA co
d
e
commit
|
commitdiff
|
tree
2018-10-07
Szilárd Páll
Use new GPU slave for AMD OpenCL verify runs
commit
|
commitdiff
|
tree
2018-10-05
Szilárd Páll
Update test matrices with new G
P
U
specifie
r
s
commit
|
commitdiff
|
tree
2018-09-29
Szilárd
Páll
Fix constraints cy
c
le counting
commit
|
commitdiff
|
tree
2018-09-21
Szil
á
rd P
á
ll
Bump
t
est t
i
m
eo
u
t only
for OpenCL integration tests
commit
|
commitdiff
|
tree
2018-08-28
Sz
i
lá
r
d Páll
Qu
i
et cma
k
e about clFF
T
not fou
n
d
a
fter fi
r
st run
commit
|
commitdiff
|
tree
2018-08-21
Szilárd Páll
Request flushing
d
e
n
orms to
zero in OpenCL
commit
|
commitdiff
|
tree
2018-08-20
Sz
i
lárd Páll
Disable sin
g
l
e
c
o
mp
i
lation
u
nit
with CUD
A
9
.
0
commit
|
commitdiff
|
tree
2018-08-15
Szilárd Páll
Improve GPU detection
sanity ch
e
ck erro
r
message
commit
|
commitdiff
|
tree
2018-07-30
Szilá
r
d P
á
l
l
Mov
e
out
O
p
enCL device utils from
vectype ops
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Páll
Improv
e
the ro
b
ustnes
s
o
f th
e
nv
c
c CM
a
k
e
c
h
eck
commit
|
commitdiff
|
tree
2018-07-30
Szilárd
Páll
Fi
x
nvcc host compile
r
chec
k
trigg
e
ring
commit
|
commitdiff
|
tree
2018-07-29
S
z
ilárd Páll
Cor
r
ections to the u
s
er guide md
r
un
pe
r
f s
e
cti
o
n
commit
|
commitdiff
|
tree
2018-06-12
Szilárd Páll
Al
s
o
issue OM
P
_NUM_THREADS reading no
t
e
t
o the
l
og
commit
|
commitdiff
|
tree
2018-06-04
Szilárd P
á
l
l
Fi
x
timi
n
g of clFFT k
e
rnels
commit
|
commitdiff
|
tree
2018-05-29
Szilárd Páll
Sw
i
tch to CUDA 9
.
2 + gcc 7
commit
|
commitdiff
|
tree
2018-04-26
Sz
i
lárd Páll
Bump req
u
ired C
U
DA
vers
i
o
n to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
F
i
x icc warn
i
ng in post
-
submit
commit
|
commitdiff
|
tree
2018-04-21
Sz
i
lárd
Páll
Add post-submit wi
t
h
A
RM HP
C
Toolchain
commit
|
commitdiff
|
tree
2018-04-21
Szi
l
árd
P
áll
Tweak
P
ME run
mode checks
commit
|
commitdiff
|
tree
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