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Move the PME GPU clearing to the end of the step
2018-04-19
S
z
ilár
d
Páll
Move the
PME GPU clearing to
t
he end of the
s
t
ep
commit
|
commitdiff
|
tree
2018-04-16
Szilá
r
d Páll
A
d
d
post
-
submit
t
es
t
with
hwloc off
commit
|
commitdiff
|
tree
2018-04-13
Szi
l
árd Páll
Us
e
trivalue option
f
or
G
MX_HW
L
OC
commit
|
commitdiff
|
tree
2018-04-05
S
zilárd
Páll
R
efactor cj prel
o
a
d
in the nonbo
n
ded OpenCL kernels
commit
|
commitdiff
|
tree
2018-03-29
S
z
i
lárd Pá
l
l
Tweak/enable icc 1
8
post-submit
test
s
commit
|
commitdiff
|
tree
2018-03-29
Szi
l
á
rd Páll
Sw
i
tch CUDA 9
.
0/
g
cc 5 test to CUDA 9
.
1
/
g
c
c
6
commit
|
commitdiff
|
tree
2018-03-13
Szi
l
á
r
d
Páll
Require OpenCL
1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
Fix
cla
n
g 6
.
0 w
i
th CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szil
á
rd Pá
l
l
Avoid icc-
s
pecific -marc
h
=core-avx2 flag with gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szilárd P
á
l
l
Extend "Findin
g
ou
t
how to run m
d
run better"
s
ect
i
on
commit
|
commitdiff
|
tree
2018-03-05
Szilárd Páll
A
dd t
o
the contributor section
commit
|
commitdiff
|
tree
2018-02-21
Sz
i
l
á
rd P
á
ll
S
witch pre-submi
t
CUDA
8
.
0 test to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilárd
P
áll
Avoid aborting mdrun when GP
U
sani
t
y check detects
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd Páll
Re
m
o
v
e
barriers preven
t
i
ng texture reference
races
commit
|
commitdiff
|
tree
2018-02-12
S
zilárd Páll
Remo
v
e single/m
u
lti
c
ompilati
o
n unit switching logi
c
commit
|
commitdiff
|
tree
2018-02-12
Szi
l
árd Páll
R
e
move
t
exture r
e
ferenc
e
support
i
n the CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd Páll
Cal
l
GPU
p
rof
i
ler reset on sep
a
rat
e
PM
E
ra
n
ks
commit
|
commitdiff
|
tree
2018-01-10
Szil
á
rd Páll
User guide updates t
o
GPU
s
ection
commit
|
commitdiff
|
tree
2018-01-10
Szi
l
árd Páll
Release notes t
w
eaks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Install gu
i
de
u
pdates
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Environment variable docs maintenance
commit
|
commitdiff
|
tree
2017-12-10
Szilárd Pá
l
l
Disab
l
e default-on NVML
support
i
n CMake
commit
|
commitdiff
|
tree
2017-12-06
Szilár
d
P
á
ll
Im
p
l
ement altern
a
ting GPU w
a
it
commit
|
commitdiff
|
tree
2017-11-28
Szilá
r
d
Páll
Sep
a
rate local GPU NB
w
ait from emulation launch
commit
|
commitdiff
|
tree
2017-11-28
Szilárd P
á
ll
Refac
t
or GPU
rolling p
r
une laun
c
h
commit
|
commitdiff
|
tree
2017-11-27
Szilárd Páll
Ti
m
e FFT/
g
ather
in
m
ix
e
d mode
commit
|
commitdiff
|
tree
2017-11-24
Szilárd
P
áll
Add
G
PU sharing post-submit
config
commit
|
commitdiff
|
tree
2017-11-23
Szilár
d
Páll
Move GPU FFT/ga
t
her launch
after GPU nonbo
n
deds
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
lárd Pá
l
l
Use -m
a
vx2 -mfm
a
ins
t
e
a
d
o
f
-march with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Merge common nbnxn CUDA/OpenCL
GPU wa
i
t cod
e
-paths
commit
|
commitdiff
|
tree
2017-11-07
S
zilá
r
d Páll
Add wal
l
cycle
timer for the PME GP
U
F
reduction
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
lárd Pá
l
l
Split
o
ff nbn
x
n GPU timing an
d
s
t
aging reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Pá
l
l
Ded
u
pl
i
cate CUDA a
n
d OpenC
L
timer struct
commit
|
commitdiff
|
tree
2017-10-31
S
z
ilár
d
Páll
Fix ns
t
list inc
r
ease war
n
ing print
commit
|
commitdiff
|
tree
2017-10-31
Szi
l
ár
d
Páll
Chec
k
CUDA
a
vailab
l
e
/
compiled code compatibility
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
F
i
x nstlist increase warni
n
g print
commit
|
commitdiff
|
tree
2017-10-26
Szilárd Páll
Re
o
rganize PM
E
GPU launch
commit
|
commitdiff
|
tree
2017-10-23
Szilárd Páll
Elimin
a
t
e
some OCL/CUDA
c
ode code duplication
commit
|
commitdiff
|
tree
2017-10-19
S
z
i
l
árd Pál
l
Disable
OpenMP
w
i
th clang
3
.
4 post-
s
ub
m
it config
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Remove unis
e
d Op
e
nCL
d
ebugging helpers
commit
|
commitdiff
|
tree
2017-10-12
Szilárd Páll
Remo
v
e the size_
t
f
r
o
m
the
P
ME gather
C
UDA kenels
commit
|
commitdiff
|
tree
2017-10-05
Szilárd P
á
ll
Ref
a
ctor scaled b
o
x handlin
g
for PM
E
/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szil
á
rd Páll
F
i
x pa
i
r lis
t
array as
s
er
t
i
on
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Avoid -Wmis
s
ing-p
r
oto
t
ypes warnings
i
n clang
C
UD
A
bui
l
ds
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Pál
l
Move Ew
a
ld splitt
i
ng-rela
t
e
d code
to ewald
-
utils
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
Enable co
m
piling
CUDA device code
with clang
commit
|
commitdiff
|
tree
2017-09-28
Szilárd Páll
Correct mis
p
lac
e
d CUDA timin
g
event record
commit
|
commitdiff
|
tree
2017-09-26
Szil
á
r
d
Páll
Re
n
a
m
e
G
P
U launch/wait cycle counters
commit
|
commitdiff
|
tree
2017-09-18
S
z
ilárd Páll
Minor ref
a
c
toring o
f
CUDA no
n
-bonded ke
r
nels
commit
|
commitdiff
|
tree
2017-09-14
Szi
l
árd P
á
l
l
CUDA 9/Volta sup
p
ort
for th
e
pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
Szilárd
P
áll
Me
r
ge
bran
c
h '
r
e
lease-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd Pá
l
l
NVIDIA Vol
t
a perf
o
r
m
ance tweaks
commit
|
commitdiff
|
tree
2017-08-29
Szi
l
árd Páll
Fix typo and tweak env
var docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd
P
áll
Avoid division by zero is p
r
uning par
t
calculat
i
on
commit
|
commitdiff
|
tree
2017-08-21
Szilárd
P
áll
Add
Op
e
nCL pruning kernels and launch/timing logic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd
Pá
l
l
Impro
v
e awk
w
a
r
d handling of
GMX_C
U
DA_TARGET* help
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Pá
l
l
A
d
d
C
UD
A
pruning k
e
r
n
els an
d
laun
c
h/
t
iming l
o
gic
commit
|
commitdiff
|
tree
2017-07-27
Sz
i
lárd Páll
Inform
users about the e
n
d of run DLB
s
t
a
te
commit
|
commitdiff
|
tree
2017-06-26
Szilá
r
d Páll
Add ARM_NEON_
A
SIM
D
post-submit te
s
t
commit
|
commitdiff
|
tree
2017-06-21
S
z
ilárd Páll
Re-enable
lost
D
D wa
r
n
i
ng
+ min
o
r
c
ode mode
r
nization
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
Re-e
n
able accidentall
y
lo
s
t
DD
w
arning
commit
|
commitdiff
|
tree
2017-06-20
Szilá
r
d Páll
Refactoring + clarification
o
f DLB state handling
commit
|
commitdiff
|
tree
2017-06-15
Sz
i
lárd Páll
All
o
w disabl
i
ng the
explicit
u
se of
CUDA textur
e
s
commit
|
commitdiff
|
tree
2017-06-07
Szilár
d
Páll
Suppress sm_2x deprecation warning with CUD
A
8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilár
d
Páll
A
dd C
U
DA 8
.
0 + SIMD pre-submi
t
test
commit
|
commitdiff
|
tree
2017-06-02
S
z
i
lárd
P
ál
l
Ad
d
ARM_NEON
post-submit
t
es
t
commit
|
commitdiff
|
tree
2017-05-29
Sz
i
lá
r
d P
á
ll
Quot
e
s are
c
ool, typo-free ones are even "coo
l
er"
commit
|
commitdiff
|
tree
2017-05-23
S
zilárd
P
á
ll
Add
basic d
o
xy
g
e
n
for the
V
erlet nonbonded module
commit
|
commitdiff
|
tree
2017-03-29
Szi
l
á
r
d Páll
R
e
f
a
ctor CUDA kernel use of tab
l
es
commit
|
commitdiff
|
tree
2017-03-29
Szilárd
P
ál
l
A
d
d
C
UDA uti
l
function for cons
t
an
t
lo
a
ds
commit
|
commitdiff
|
tree
2017-03-25
Szi
l
árd Páll
Con
d
ition
a
l tweak i
n
the nonb
o
nde
d
GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Szi
l
á
r
d Páll
Al
l
ow byp
a
ssing
O
penCL device comp
a
tibili
t
y check
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Páll
Print code
of unknown OpenCL error
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix m
d
r
un hanging upon exit
with se
p
PME ranks
commit
|
commitdiff
|
tree
2017-01-24
S
zilárd Páll
R
emove unus
e
d ar
g
ument in GPU k
e
r
nels
commit
|
commitdiff
|
tree
2016-12-09
Sz
i
lárd
Páll
Turn off
h
wl
o
c sup
p
ort when st
a
tic lib
found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd
P
áll
Corr
e
ct ke
r
nel launch bo
u
nds for
C
U
DA
s
m
_
60
commit
|
commitdiff
|
tree
2016-11-01
S
z
ilárd Páll
Merge "Merge branch rele
a
se-2016"
commit
|
commitdiff
|
tree
2016-10-28
S
zilárd Páll
GPU-related additions to the install/user guide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Páll
Make -cl-fas
t
-
r
elaxed-math
defa
u
lt
commit
|
commitdiff
|
tree
2016-10-26
Szilár
d
Páll
Add
G
M
X_DISA
B
LE_GPU_TIMING env v
a
r
commit
|
commitdiff
|
tree
2016-10-09
Szilár
d
Páll
Cor
r
ect kern
e
l launch
b
ounds for CU
D
A sm_60
commit
|
commitdiff
|
tree
2016-08-27
Szi
l
árd
P
á
ll
Ma
k
e ASAN/TSAN/MSAN
b
uild
t
yp
e
s easier
to disco
v
er
commit
|
commitdiff
|
tree
2016-07-08
Sz
i
l
á
rd Páll
Add PDF
met
a
data to the manual
commit
|
commitdiff
|
tree
2016-07-08
Szil
á
rd Páll
User gu
i
d
e
c
larifications
commit
|
commitdiff
|
tree
2016-07-07
Sz
i
l
árd Páll
Add us
e
r guide info on C
U
D
A
a
p
plication clocks
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Páll
Document
G
M
X
_GPU_AP
P
LICATIO
N
_
C
LOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szilárd Páll
Disabl
e
N
V
I
D
IA J
I
T cache with OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Páll
Fix C
U
D
A
build wit
h
multiple compilat
i
on un
i
ts
commit
|
commitdiff
|
tree
2016-06-05
Sz
i
lárd Páll
Add supp
o
rt for CUDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
S
z
i
lárd Páll
Add
env
.
var
.
to enab
l
e OpenC
L
c
a
ching
commit
|
commitdiff
|
tree
2016-06-02
Szilárd
Pá
l
l
Fix Ope
n
CL binary cache file
name gen
e
ration
commit
|
commitdiff
|
tree
2016-05-05
Szi
l
á
rd P
á
l
l
R
emove CUDA host co
m
p
i
ler consistency checks
commit
|
commitdiff
|
tree
2016-04-28
Szil
á
rd Páll
Workaround for gcc false
p
ositive war
n
ing
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Pá
l
l
Fix
multiple MPI ranks per node w
i
th OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szilárd Páll
Fix OpenC
L
assertion
commit
|
commitdiff
|
tree
2016-04-19
Szi
l
árd
Páll
Move out CUDA profiler tri
g
ge
r
s from NB
N
XN
commit
|
commitdiff
|
tree
2016-04-13
Szilá
r
d Páll
S
p
el
l
ing fixes
commit
|
commitdiff
|
tree
2016-04-13
Szilárd
P
áll
Do not cre
a
t
e
e
mpty man/man7
d
irectory
commit
|
commitdiff
|
tree
2016-04-04
Szilárd
Páll
Mark more vari
a
bles
a
s advanced
commit
|
commitdiff
|
tree
next