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Write lambdas and box to TNG at correct intervals
2018-05-29
Sz
i
lárd Páll
Switch t
o
CUD
A
9
.
2 + gc
c
7
commit
|
commitdiff
|
tree
2018-04-26
Szilár
d
Páll
Bump required CUD
A
v
e
rsion to
7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
Fix icc warni
n
g in post-submit
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
Add post-subm
i
t with ARM
H
PC
Toolchai
n
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
T
w
e
ak PME run mode
c
h
e
c
ks
commit
|
commitdiff
|
tree
2018-04-20
Sz
i
lárd Páll
Minor
fix for pre-
s
ubmi
t
m
a
trix docs
commit
|
commitdiff
|
tree
2018-04-19
Szilárd Páll
Move the PM
E
GP
U
clearing to the e
n
d
o
f the s
t
e
p
commit
|
commitdiff
|
tree
2018-04-16
Szilárd Pál
l
Add
p
ost-sub
m
i
t
test wit
h
hwloc off
commit
|
commitdiff
|
tree
2018-04-13
S
zilá
r
d Páll
Use
tri
v
alue option for GMX_HWLOC
commit
|
commitdiff
|
tree
2018-04-05
Sz
i
lárd Páll
R
ef
a
ctor cj preloa
d
in th
e
nonbonded
O
penC
L
kernels
commit
|
commitdiff
|
tree
2018-03-29
Szi
l
á
r
d P
á
ll
Twe
a
k/enable icc 1
8
post-submi
t
t
ests
commit
|
commitdiff
|
tree
2018-03-29
S
z
ilá
r
d Páll
Sw
i
tch CUDA
9
.
0/gcc
5
t
e
s
t
to CUDA
9
.
1/
g
c
c 6
commit
|
commitdiff
|
tree
2018-03-13
Szilár
d
Pá
l
l
R
equire O
p
e
n
C
L 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Pá
l
l
Fix cl
a
ng 6
.
0 with
C
UDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Sz
i
lár
d
Páll
Avoid icc-specific -march=cor
e
-av
x
2
flag with gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szi
l
árd
P
áll
Extend "Fin
d
ing out how t
o
run mdrun better"
s
ec
t
i
on
commit
|
commitdiff
|
tree
2018-03-05
Szilárd P
á
ll
Add to the c
o
ntributor se
c
t
i
on
commit
|
commitdiff
|
tree
2018-02-21
Szilárd P
á
ll
S
w
itc
h
pre-submit CU
D
A
8
.
0
t
est to
9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilárd Pál
l
Avoid a
b
orting
mdrun when GPU s
a
nity check detect
s
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilá
r
d Páll
Remove barriers preventin
g
texture refer
e
nce races
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Rem
o
ve singl
e
/multi compilation unit swi
t
ching
logic
commit
|
commitdiff
|
tree
2018-02-12
Szilá
r
d Páll
Remove t
e
xt
u
re refe
r
ence suppor
t
i
n
t
h
e
CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd
Pál
l
C
all GPU profiler rese
t
on separate
P
ME ranks
commit
|
commitdiff
|
tree
2018-01-10
S
z
ilárd Páll
User guid
e
updates to GPU section
commit
|
commitdiff
|
tree
2018-01-10
Sz
i
l
á
rd Páll
R
e
leas
e
notes twea
k
s
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Instal
l
guide
updates
commit
|
commitdiff
|
tree
2018-01-10
Szilár
d
Páll
Environment variable docs
m
a
i
ntenance
commit
|
commitdiff
|
tree
2017-12-10
Szilárd Páll
D
isab
l
e defa
u
lt-on NVM
L
sup
p
ort
i
n CMa
k
e
commit
|
commitdiff
|
tree
2017-12-06
Szilárd Páll
Implement
a
lternating GPU wait
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
Sep
a
r
a
t
e local
GP
U
NB wait fro
m
emulat
i
on lau
n
c
h
commit
|
commitdiff
|
tree
2017-11-28
Szi
l
árd Pál
l
R
e
f
a
ctor
G
PU roll
i
n
g
prune launch
commit
|
commitdiff
|
tree
2017-11-27
Szilár
d
Pá
l
l
T
i
me
F
FT/gath
e
r in mixed mode
commit
|
commitdiff
|
tree
2017-11-24
Szil
á
rd
P
áll
Add GPU sharing
post-s
u
bm
i
t config
commit
|
commitdiff
|
tree
2017-11-23
Sz
i
lár
d
Páll
M
ov
e
GP
U
FFT/gather launch
after GPU non
b
o
n
d
eds
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Use
-mavx2 -mfma instead of -
m
arch with
AVX
2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Pá
l
l
M
e
rge
common n
b
nxn
CUDA/OpenCL
G
PU w
a
i
t
co
d
e-pa
t
hs
commit
|
commitdiff
|
tree
2017-11-07
Szilár
d
P
á
ll
A
d
d wallcycle
t
i
mer for the PME GP
U
F
reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Pá
l
l
Split off n
b
nxn GPU timi
n
g and staging reductio
n
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Pál
l
Deduplicate C
U
DA and Op
e
n
C
L timer
s
truct
commit
|
commitdiff
|
tree
2017-10-31
Sz
i
lárd Páll
Fix nstli
s
t increase warning
p
rint
commit
|
commitdiff
|
tree
2017-10-31
Szilárd
Páll
Check C
U
DA available/
c
ompi
l
e
d code
c
ompati
b
ility
commit
|
commitdiff
|
tree
2017-10-31
Szilár
d
Páll
Fix nstlist inc
r
ease
w
a
rnin
g
pr
i
nt
commit
|
commitdiff
|
tree
2017-10-26
Szi
l
árd Páll
Reorganize PME GPU
launch
commit
|
commitdiff
|
tree
2017-10-23
S
zil
á
r
d Páll
Eliminate some OCL/CUDA code co
d
e duplica
t
i
o
n
commit
|
commitdiff
|
tree
2017-10-19
Szi
l
árd Páll
Disable OpenMP
w
ith clang 3
.
4
p
ost
-
submi
t
config
commit
|
commitdiff
|
tree
2017-10-19
S
zilárd Páll
Remo
v
e uni
s
ed
OpenCL debuggin
g
helpers
commit
|
commitdiff
|
tree
2017-10-12
Szilárd Páll
Remove
t
he size_t
from th
e
PME
gather CUD
A
kenels
commit
|
commitdiff
|
tree
2017-10-05
Szilárd P
á
l
l
R
efac
t
o
r
scale
d
b
o
x handling f
o
r P
M
E/Ewald
commit
|
commitdiff
|
tree
2017-10-05
S
z
i
lárd P
á
l
l
F
i
x
p
air
l
is
t
array assert
i
on
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Avoid -
W
missing-pro
t
otypes warnings in clang CUDA
b
uilds
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
M
o
ve Ewal
d
s
p
litting-related code to ew
a
ld-uti
l
s
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Pá
l
l
Enable
co
m
piling CUDA devi
c
e code with c
l
ang
commit
|
commitdiff
|
tree
2017-09-28
S
z
il
á
rd P
á
ll
C
orrect
m
isplaced
C
U
D
A
timing event recor
d
commit
|
commitdiff
|
tree
2017-09-26
Szilár
d
Páll
Rename GPU
launch/wai
t
cycle counters
commit
|
commitdiff
|
tree
2017-09-18
Szilárd
P
áll
Minor re
f
a
c
t
oring of CUDA non-b
o
nded kernels
commit
|
commitdiff
|
tree
2017-09-14
Szilá
r
d Páll
C
U
DA 9/Volta
s
upport for the pr
u
ni
n
g ke
r
nel
commit
|
commitdiff
|
tree
2017-09-12
Szilárd
P
áll
Merge b
r
a
n
ch 'rel
e
ase
-
2
0
1
6
'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd
P
á
l
l
NVIDIA Volta performance twe
a
k
s
commit
|
commitdiff
|
tree
2017-08-29
S
zilárd
P
áll
F
i
x typo an
d
tweak env var docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd
P
áll
Avoid d
i
v
i
s
ion
by
zer
o
is pruning part calculation
commit
|
commitdiff
|
tree
2017-08-21
Szilárd P
á
l
l
A
dd OpenCL pruning kerne
l
s
and launch/timing
l
ogic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
I
mp
r
ove aw
k
ward
h
a
n
dling
o
f
GMX_CUDA_TARGET* help
commit
|
commitdiff
|
tree
2017-08-18
Szi
l
árd Páll
Add CUDA pruning
k
ernels
a
n
d
launch/ti
m
in
g
l
og
i
c
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Páll
Inform us
e
rs about th
e
end of run DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilárd
Páll
A
dd ARM_N
E
O
N
_ASIMD
post-submit test
commit
|
commitdiff
|
tree
2017-06-21
S
zilárd
Pá
l
l
Re-ena
b
le l
o
st DD warning +
m
inor c
o
de modernizat
i
on
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
R
e-enabl
e
accidentally lost DD warning
commit
|
commitdiff
|
tree
2017-06-20
Szilárd
Pá
l
l
Refactoring + clari
f
ic
a
t
i
on of DLB s
t
a
te handling
commit
|
commitdiff
|
tree
2017-06-15
S
z
il
á
rd Páll
Al
l
o
w
dis
a
bling the explicit use of CUDA texture
s
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
S
u
ppress sm_2x depre
c
ation
w
a
rni
n
g with CUDA
8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd Páll
Add CUDA 8
.
0
+ SIMD p
r
e-submit test
commit
|
commitdiff
|
tree
2017-06-02
S
z
ilárd Páll
Add
A
RM_
N
EON post-
s
ubmit
t
e
st
commit
|
commitdiff
|
tree
2017-05-29
S
z
i
l
á
r
d Páll
Quot
e
s are cool, ty
p
o-free ones are e
v
en
"
cool
e
r
"
commit
|
commitdiff
|
tree
2017-05-23
Szilárd Páll
Add
b
asic doxyg
e
n fo
r
t
h
e Verlet nonbo
n
ded m
o
dule
commit
|
commitdiff
|
tree
2017-03-29
Sz
i
lárd Páll
Refactor CUDA kernel use of tables
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Pá
l
l
Add CUD
A
uti
l
function for constant l
o
ads
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Páll
Conditional tweak in t
h
e nonbo
n
ded GP
U
kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Páll
Allow
bypassi
n
g
OpenCL de
v
i
ce compatibi
l
ity check
commit
|
commitdiff
|
tree
2017-03-16
Szilárd
Pál
l
Print code of unknow
n
Op
e
nCL error
commit
|
commitdiff
|
tree
2017-03-09
Sz
i
lárd Páll
Fix
mdr
u
n hanging upon e
x
it wi
t
h se
p
PME ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Páll
Remove unused
ar
g
ument in GPU k
e
rn
e
ls
commit
|
commitdiff
|
tree
2016-12-09
Szilárd Pál
l
Turn off hwloc
s
upport whe
n
static lib found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd P
á
ll
Co
r
rect kernel launch bo
u
nds for CUD
A
sm_
6
0
commit
|
commitdiff
|
tree
2016-11-01
Szilárd Pá
l
l
Merge "Merg
e
b
r
anch
r
elease-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd Pál
l
G
PU-rel
a
ted additions
t
o the inst
a
ll/user guide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Páll
Make -cl-fa
s
t-rel
a
xed
-
math default
commit
|
commitdiff
|
tree
2016-10-26
Szilá
r
d P
á
ll
Add GMX_D
I
SABLE_
G
P
U_TIMING e
n
v var
commit
|
commitdiff
|
tree
2016-10-09
Szilá
r
d Páll
C
o
rr
e
ct ke
r
n
e
l launc
h
bounds
f
or C
U
DA sm_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Páll
Make ASAN/TSAN/MSAN build type
s
easier to discover
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
Add PDF m
e
t
a
da
t
a to th
e
manual
commit
|
commitdiff
|
tree
2016-07-08
Szil
á
r
d P
á
ll
User g
u
i
de clarifica
t
ions
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Add user
guide
i
n
fo
o
n CUDA appl
i
cation clocks
commit
|
commitdiff
|
tree
2016-07-05
Szilá
r
d Páll
D
o
cument GMX_
G
PU_APPLICATION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szilárd
P
áll
D
i
sable NV
I
DIA JI
T
ca
c
he
with Op
e
nCL
commit
|
commitdiff
|
tree
2016-06-14
Szilá
r
d P
á
ll
Fix
CUDA build with multiple compilation u
n
its
commit
|
commitdiff
|
tree
2016-06-05
Szilá
r
d
Páll
Add
s
up
p
ort fo
r
CUDA CC 6
.
0
/
6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Pál
l
Add
env
.
v
a
r
.
t
o
e
nable Open
C
L cachi
n
g
commit
|
commitdiff
|
tree
2016-06-02
Sz
i
lárd Páll
Fix
O
penCL bina
r
y cache
file n
a
me generat
i
on
commit
|
commitdiff
|
tree
2016-05-05
Szilárd Pál
l
Re
m
ove CUDA host
c
o
mpiler cons
i
st
e
ncy checks
commit
|
commitdiff
|
tree
2016-04-28
Szilá
r
d Páll
Workaround for gc
c
fa
l
se positi
v
e warning
commit
|
commitdiff
|
tree
next