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Change use of t_inpfile to std::vector
2018-06-04
Szilárd Pá
l
l
Fix
t
iming of
clFFT
k
ernel
s
commit
|
commitdiff
|
tree
2018-05-29
Szilárd
P
á
ll
Switch t
o
CUDA 9
.
2 + gcc 7
commit
|
commitdiff
|
tree
2018-04-26
Szilárd
Páll
B
u
mp req
u
ired CU
D
A v
e
rsion
to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilá
r
d Páll
Fix icc w
a
rning in post-subm
i
t
commit
|
commitdiff
|
tree
2018-04-21
S
z
ilárd P
á
ll
Add post-s
u
bmit with ARM HPC
Toolchai
n
commit
|
commitdiff
|
tree
2018-04-21
Szilárd
P
á
l
l
Tweak
PME run m
o
de chec
k
s
commit
|
commitdiff
|
tree
2018-04-20
Szilárd P
á
ll
M
i
nor fix for pre-s
u
bmit matrix docs
commit
|
commitdiff
|
tree
2018-04-19
Szilárd Páll
M
ove the PME G
P
U clea
r
ing to
t
h
e end of the s
t
ep
commit
|
commitdiff
|
tree
2018-04-16
Szi
l
árd
P
á
ll
Add
post-submit test with hw
l
oc of
f
commit
|
commitdiff
|
tree
2018-04-13
Szilá
r
d Páll
Use triva
l
ue option for GMX
_
HWLOC
commit
|
commitdiff
|
tree
2018-04-05
Szil
á
rd Páll
Refact
o
r cj prel
o
ad i
n
the nonbo
n
ded OpenCL kerne
l
s
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Páll
Tweak/enabl
e
icc 18 po
s
t-submit tes
t
s
commit
|
commitdiff
|
tree
2018-03-29
Szilár
d
P
á
ll
Switch CUDA
9
.
0/g
c
c 5
t
est to CUDA 9
.
1/gcc 6
commit
|
commitdiff
|
tree
2018-03-13
S
z
ilárd
P
áll
Re
q
uire OpenCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Sz
i
lárd P
á
ll
Fix clang 6
.
0
with CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilárd Páll
Avoid ic
c
-
specific -march=core-
a
vx2
f
l
ag with gcc
/
clang
commit
|
commitdiff
|
tree
2018-03-06
Szi
l
árd Páll
Exte
n
d
"Finding
o
u
t how to ru
n
mdrun bett
e
r" s
e
ction
commit
|
commitdiff
|
tree
2018-03-05
S
zilárd Páll
Ad
d
to the contri
b
uto
r
section
commit
|
commitdiff
|
tree
2018-02-21
Szilárd Páll
Switch p
r
e-sub
m
it CUD
A
8
.
0 test to
9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilárd Páll
Avoid abortin
g
mdr
u
n when GPU sani
t
y
check d
e
tects
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd Páll
Remove
b
arrie
r
s p
r
eventin
g
texture refe
r
ence ra
c
es
commit
|
commitdiff
|
tree
2018-02-12
Szilá
r
d P
á
l
l
Remove single/multi compilation unit switching lo
g
ic
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Remov
e
te
x
ture reference
s
u
p
port
in the
C
UDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd
P
á
l
l
Call GPU profi
l
er r
e
set
o
n sep
a
rate P
M
E r
a
nks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
User g
u
ide
updates t
o
GPU se
c
tion
commit
|
commitdiff
|
tree
2018-01-10
Szi
l
ár
d
Pál
l
Release notes
t
we
a
ks
commit
|
commitdiff
|
tree
2018-01-10
S
z
ilárd Páll
I
nstall guide updates
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Environm
e
nt va
r
ia
b
le docs mai
n
tenance
commit
|
commitdiff
|
tree
2017-12-10
Szi
l
á
rd
Páll
Disable d
e
faul
t
-on NV
M
L
s
u
ppo
r
t in C
M
ake
commit
|
commitdiff
|
tree
2017-12-06
Szilárd
Páll
Implement
a
lternatin
g
G
PU w
a
it
commit
|
commitdiff
|
tree
2017-11-28
S
z
ilárd
Páll
S
eparate local GPU NB
wait
f
r
om em
u
lation launc
h
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
R
e
factor GPU roll
i
ng pru
n
e
launch
commit
|
commitdiff
|
tree
2017-11-27
Szilárd Páll
Time F
F
T
/gather in m
i
x
e
d
mo
d
e
commit
|
commitdiff
|
tree
2017-11-24
Szilárd
P
á
ll
A
d
d GPU sharing post-submit config
commit
|
commitdiff
|
tree
2017-11-23
Szilárd Páll
M
o
ve GPU FFT/gather laun
c
h after G
P
U n
o
n
bonded
s
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Use -mavx2 -
m
fma instead of
-march with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
l
árd Páll
Me
r
ge
common nb
n
xn CUDA/Ope
n
CL
GP
U
wait
c
o
de-pa
t
hs
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Add wallcycle ti
m
er for
t
h
e P
M
E GPU F reducti
o
n
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
P
ál
l
Split of
f
nbnx
n
GPU timing and staging
r
edu
c
ti
o
n
commit
|
commitdiff
|
tree
2017-11-07
S
z
ilárd Páll
D
e
dupli
c
ate CUDA an
d
OpenC
L
t
imer struct
commit
|
commitdiff
|
tree
2017-10-31
Sz
i
lárd Pá
l
l
F
ix nstl
i
st increase warning print
commit
|
commitdiff
|
tree
2017-10-31
Szi
l
árd Pá
l
l
Ch
e
ck C
U
D
A
ava
i
lab
l
e
/compiled code
c
o
mpatibility
commit
|
commitdiff
|
tree
2017-10-31
Sz
i
lárd Páll
F
ix nstlis
t
i
n
cre
a
se warning print
commit
|
commitdiff
|
tree
2017-10-26
Szil
á
rd Páll
Reorganize
PME GPU la
u
nch
commit
|
commitdiff
|
tree
2017-10-23
Szilár
d
Páll
Eliminate some OCL/CU
D
A co
d
e code dupl
i
cat
i
on
commit
|
commitdiff
|
tree
2017-10-19
S
z
ilárd Pá
l
l
Disabl
e
Ope
n
MP with clang
3
.
4
p
ost-submit config
commit
|
commitdiff
|
tree
2017-10-19
S
zilárd P
á
ll
Remove unised OpenCL de
b
ugging helper
s
commit
|
commitdiff
|
tree
2017-10-12
Szilárd Páll
Re
m
o
v
e the size_t from the PME gather CUDA k
e
nels
commit
|
commitdiff
|
tree
2017-10-05
S
z
ilárd Páll
Refactor scaled
box
han
d
ling for PME/
E
wald
commit
|
commitdiff
|
tree
2017-10-05
S
zi
l
árd Páll
Fi
x
pai
r
list arr
a
y assertion
commit
|
commitdiff
|
tree
2017-10-05
Szilár
d
Páll
Avoid
-
Wmissing
-
pr
o
totypes warnings i
n
cla
n
g
CUDA builds
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
Move E
w
ald splitting-rela
t
ed code
t
o
ewal
d
-
u
tils
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
E
n
a
ble
c
o
m
p
ili
n
g CUDA
d
evice cod
e
with clang
commit
|
commitdiff
|
tree
2017-09-28
Szilár
d
Páll
Correct mispla
c
ed CUDA timing
e
vent reco
r
d
commit
|
commitdiff
|
tree
2017-09-26
S
z
ilá
r
d Pál
l
Rename GPU launch/wait cycle coun
t
ers
commit
|
commitdiff
|
tree
2017-09-18
S
zilár
d
Páll
Mino
r
refa
c
toring of
C
UDA non-bonded kernels
commit
|
commitdiff
|
tree
2017-09-14
S
z
i
l
á
rd Páll
CU
D
A 9/Vo
l
ta support for
t
he pr
u
ning kernel
commit
|
commitdiff
|
tree
2017-09-12
S
zi
l
árd Pá
l
l
Merge br
a
n
c
h 'release-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd P
á
ll
NVIDIA Volta perf
o
rmance tweak
s
commit
|
commitdiff
|
tree
2017-08-29
Szi
l
árd
Páll
Fix typo
and tweak env va
r
docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
Avoid divisio
n
by zero is pruning part calculation
commit
|
commitdiff
|
tree
2017-08-21
Szilárd Pá
l
l
A
dd Open
C
L pru
n
ing
k
e
r
nels and launch/t
i
ming
l
ogi
c
commit
|
commitdiff
|
tree
2017-08-18
Szilá
r
d
P
á
l
l
Improv
e
awkward handling of
G
M
X
_CUD
A
_TARGET*
h
elp
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Pá
l
l
A
d
d
CU
D
A prunin
g
kernels and
la
u
n
ch/ti
m
ing logic
commit
|
commitdiff
|
tree
2017-07-27
Szil
á
rd
P
á
ll
I
n
f
o
r
m u
s
ers about the end o
f
run DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilárd Pá
l
l
A
dd
A
RM
_
NEON_ASIMD post
-
subm
i
t
test
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
Re
-
e
n
able lost DD
w
a
rning + minor code mode
r
nization
commit
|
commitdiff
|
tree
2017-06-20
Szilár
d
Páll
R
e-enable accident
a
lly lost DD
w
arni
n
g
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Pál
l
Refactoring +
c
l
arifi
c
ation of DLB sta
t
e handl
i
ng
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
A
llow disa
b
ling the
explic
i
t use of CUDA textures
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
Sup
p
ress sm_2x deprecation warn
i
ng with CUDA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd
Páll
Add CUDA 8
.
0
+
SIMD pre-submit test
commit
|
commitdiff
|
tree
2017-06-02
Szilár
d
Páll
Add AR
M
_NEON
p
o
s
t-submit test
commit
|
commitdiff
|
tree
2017-05-29
Szilárd Páll
Quo
t
es are cool, t
y
po
-
free ones a
r
e even "cooler"
commit
|
commitdiff
|
tree
2017-05-23
Szi
l
árd Páll
Add basic
d
oxy
g
en for the Verle
t
nonb
o
nde
d
module
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Refactor C
U
DA kernel use
of tables
commit
|
commitdiff
|
tree
2017-03-29
Szilár
d
Páll
Add CUDA util func
t
ion for constant lo
a
ds
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Páll
C
o
nd
i
tion
a
l tw
e
ak in the nonbonded GPU
kernel
s
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Páll
Allow bypassi
n
g
O
penCL
d
ev
i
ce c
o
mp
a
tibi
l
i
t
y check
commit
|
commitdiff
|
tree
2017-03-16
S
zilárd P
á
ll
Print code of unknown OpenCL error
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix
mdrun
h
an
g
i
ng up
o
n exit with sep PM
E
ranks
commit
|
commitdiff
|
tree
2017-01-24
S
z
i
lár
d
Páll
Remove unused argument in GPU
kernels
commit
|
commitdiff
|
tree
2016-12-09
Szi
l
árd Páll
Turn off hw
l
oc
s
upport w
h
en static
lib found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Pá
l
l
Correct k
e
rnel launch
bound
s
for CUDA sm_6
0
commit
|
commitdiff
|
tree
2016-11-01
S
z
il
á
rd Páll
Merge "Merge branch re
l
ease-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szil
á
rd Páll
GPU-
r
elated additi
o
ns to the install/
u
ser
guide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Páll
Make -cl-fast-relaxed-math
d
e
f
aul
t
commit
|
commitdiff
|
tree
2016-10-26
Sz
i
l
á
rd Páll
Add GMX_DIS
A
B
L
E_GPU_TIMING env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Pál
l
Correct ke
r
nel launch bou
n
ds for CUDA sm_
6
0
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Páll
Make ASAN/
T
SAN/MSAN build types easier to di
s
cover
commit
|
commitdiff
|
tree
2016-07-08
Szil
á
rd P
á
ll
Add PDF metadata to the manual
commit
|
commitdiff
|
tree
2016-07-08
Sz
i
lárd Pá
l
l
User gui
d
e clarifications
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Add u
s
er guide info on CUDA
a
pp
l
ic
a
tion clocks
commit
|
commitdiff
|
tree
2016-07-05
Szil
á
rd P
á
l
l
D
o
cumen
t
GMX_GPU_APPLIC
A
TION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szilárd
P
áll
Disable NVIDIA JIT cache with O
p
enCL
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Páll
Fi
x
C
U
D
A build
w
i
th
m
ulti
p
le compilation units
commit
|
commitdiff
|
tree
2016-06-05
Szilárd P
á
ll
Add
s
u
p
p
ort fo
r
C
U
DA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Add env
.
var
.
to
enab
l
e
OpenC
L
caching
commit
|
commitdiff
|
tree
2016-06-02
Szilá
r
d Páll
F
i
x
OpenCL b
i
nary
c
ache file nam
e
gene
r
a
tion
commit
|
commitdiff
|
tree
2016-05-05
Szil
á
rd Pá
l
l
Remove CUDA host com
p
i
l
e
r consistency ch
e
cks
commit
|
commitdiff
|
tree
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