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Disallow -skip values <= 0 for gmx trjconv.
2018-04-16
Szi
l
á
r
d
Pál
l
Add post-s
u
bmi
t
test
with
hwlo
c
off
commit
|
commitdiff
|
tree
2018-04-13
S
z
i
l
árd Páll
Us
e
tri
v
alue opti
o
n
for
G
MX_HWLOC
commit
|
commitdiff
|
tree
2018-04-05
Szil
á
r
d Páll
Refactor cj prel
o
ad in the nonb
o
nded OpenCL kern
e
ls
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Páll
Tweak/enabl
e
icc 18 post-submit
tests
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Páll
Swit
c
h CUDA
9
.
0/
g
cc
5 test to C
U
DA 9
.
1/g
c
c 6
commit
|
commitdiff
|
tree
2018-03-13
Sz
i
lárd Pál
l
Require
O
penCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
F
ix clang 6
.
0 with CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
S
zilárd Páll
Avoid icc-s
p
ec
i
fic -marc
h
=core-avx2
flag wi
t
h gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szilárd Páll
Extend "Finding out
h
ow to run mdr
u
n better
"
sec
t
io
n
commit
|
commitdiff
|
tree
2018-03-05
Szilárd P
á
ll
A
d
d to the cont
r
ibu
t
or section
commit
|
commitdiff
|
tree
2018-02-21
S
z
ilárd
Páll
Switch pre-su
b
mit CUDA 8
.
0 t
e
st to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilár
d
Pá
l
l
Av
o
id
a
borting mdrun when GPU sanity check detec
t
s
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilár
d
Páll
Re
m
ove barriers
p
r
eventing
texture re
f
e
r
ence races
commit
|
commitdiff
|
tree
2018-02-12
Sz
i
lárd Páll
Remove single/multi
c
ompilat
i
on unit switchin
g
logic
commit
|
commitdiff
|
tree
2018-02-12
Szilár
d
Páll
Re
m
ove textu
r
e
referenc
e
support in the
CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd Páll
Call GPU prof
i
ler reset on separate PME ranks
commit
|
commitdiff
|
tree
2018-01-10
Szil
á
rd Páll
User gui
d
e updat
e
s to GPU section
commit
|
commitdiff
|
tree
2018-01-10
Szilárd
P
á
l
l
Release notes tweak
s
commit
|
commitdiff
|
tree
2018-01-10
S
zilárd Pál
l
Install guide
updates
commit
|
commitdiff
|
tree
2018-01-10
Szilárd
Páll
Environment vari
a
ble do
c
s maintenance
commit
|
commitdiff
|
tree
2017-12-10
S
z
ilárd Pál
l
Disable default-on NVML
s
upp
o
rt in CMak
e
commit
|
commitdiff
|
tree
2017-12-06
Szi
l
árd Páll
Impl
e
ment alternating
GPU wai
t
commit
|
commitdiff
|
tree
2017-11-28
Szi
l
á
rd Pá
l
l
Separate local GPU NB wait from emu
l
ation
la
u
nch
commit
|
commitdiff
|
tree
2017-11-28
Szilárd
P
áll
R
e
fact
o
r GP
U
rolling
prune
launch
commit
|
commitdiff
|
tree
2017-11-27
Szilárd
Páll
Time FFT/gathe
r
i
n mixed mode
commit
|
commitdiff
|
tree
2017-11-24
S
zilárd Páll
A
dd GPU shari
n
g post-submit confi
g
commit
|
commitdiff
|
tree
2017-11-23
S
z
il
á
r
d
Páll
Move GPU FFT/gather launch after GPU nonbo
n
de
d
s
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Use -mavx2 -mfm
a
i
n
stead of -march
w
ith AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd P
á
ll
Merge com
m
on nbnxn CUDA/OpenCL GPU wait code-pat
h
s
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
Páll
Ad
d
wallcycle
timer for
th
e
PME GPU F re
d
uction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
P
áll
Split of
f
nbnxn GPU
timing and staging reduction
commit
|
commitdiff
|
tree
2017-11-07
S
z
ilá
r
d
P
áll
D
e
dup
l
icat
e
CUDA and OpenCL timer
s
truct
commit
|
commitdiff
|
tree
2017-10-31
Sz
i
lárd Páll
Fix nstlist increase wa
r
ni
n
g
print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Check CUDA available/compiled code co
m
patibility
commit
|
commitdiff
|
tree
2017-10-31
Szil
á
rd Páll
Fix nstlist increase w
a
r
n
ing p
r
int
commit
|
commitdiff
|
tree
2017-10-26
Szilárd Páll
Reorganize PME GPU launch
commit
|
commitdiff
|
tree
2017-10-23
S
z
ilárd Páll
Elimin
a
t
e some OCL/C
U
D
A co
d
e code duplication
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Disable OpenMP with clang 3
.
4 post-s
u
bmit confi
g
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Pá
l
l
Remove unise
d
Ope
n
C
L debugging he
l
pers
commit
|
commitdiff
|
tree
2017-10-12
S
z
i
l
á
r
d Páll
Re
m
ov
e
t
he size_t fro
m
the P
M
E
g
athe
r
CUDA
kenels
commit
|
commitdiff
|
tree
2017-10-05
Szilá
r
d
Páll
Refactor scal
e
d
box handli
n
g for PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
S
zilárd
P
áll
Fix pai
r
list array assertion
commit
|
commitdiff
|
tree
2017-10-05
S
z
ilá
r
d Páll
Avoid -Wmissing-pro
t
o
t
ype
s
warnings in c
l
ang
C
UDA builds
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
Move Ewald spli
t
ting-r
e
lated code to
e
wald-utils
commit
|
commitdiff
|
tree
2017-10-03
Szilárd
P
á
l
l
En
a
ble compiling CUDA devic
e
code
with
cl
a
ng
commit
|
commitdiff
|
tree
2017-09-28
Szil
á
rd Páll
Correct m
i
splaced CUDA tim
i
ng
event record
commit
|
commitdiff
|
tree
2017-09-26
Szilárd Páll
R
ename GPU l
a
unch/wai
t
cycle counters
commit
|
commitdiff
|
tree
2017-09-18
Szilárd Páll
Minor
refac
t
oring o
f
CUDA non-bo
n
ded
k
e
r
nels
commit
|
commitdiff
|
tree
2017-09-14
S
z
ilárd
P
áll
CUDA 9/Volta
s
upport
fo
r
the pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
Szilárd Páll
Merge branch 'release-2
0
16
'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd Páll
NVIDI
A
V
o
l
t
a per
f
orma
n
ce
t
w
e
a
ks
commit
|
commitdiff
|
tree
2017-08-29
Szilárd
P
áll
F
i
x typo a
n
d tweak env var docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd
P
áll
Avoi
d
d
ivisio
n
b
y
ze
r
o is p
r
uning part cal
c
ulati
o
n
commit
|
commitdiff
|
tree
2017-08-21
Sz
i
lárd Páll
Add
OpenCL
p
runing kernels
a
n
d laun
c
h/timing l
o
gic
commit
|
commitdiff
|
tree
2017-08-18
S
z
ilárd Páll
Improve awkward
h
a
ndling of
G
M
X_CUDA_TAR
G
ET* hel
p
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Add CUDA prunin
g
ke
r
nels an
d
launch/timing
l
o
gic
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Páll
Inform users
ab
o
ut the end of run
D
LB state
commit
|
commitdiff
|
tree
2017-06-26
Sz
i
lárd Pál
l
Add
ARM_NEON_ASIMD po
s
t-sub
m
i
t
test
commit
|
commitdiff
|
tree
2017-06-21
S
z
ilárd Páll
Re-en
a
ble los
t
DD w
a
r
n
ing + minor code
mode
r
niz
a
tio
n
commit
|
commitdiff
|
tree
2017-06-20
Szi
l
árd
P
áll
Re-enable ac
c
identally
lost DD w
a
r
n
i
ng
commit
|
commitdiff
|
tree
2017-06-20
Szil
á
rd Páll
Refact
o
ring +
c
larification of
DLB state handling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Pá
l
l
Allow
disabl
i
ng the ex
p
licit use of C
U
DA textures
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
Suppress sm_2x deprec
a
t
i
on warning with
CUDA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd Páll
Add
C
U
DA 8
.
0 + SIMD pre-submit
t
e
s
t
commit
|
commitdiff
|
tree
2017-06-02
Szilárd Páll
Ad
d
ARM_NEO
N
p
o
st-submit test
commit
|
commitdiff
|
tree
2017-05-29
Szilárd Páll
Qu
o
tes ar
e
cool, typ
o
-
f
r
ee ones are even "c
o
o
le
r
"
commit
|
commitdiff
|
tree
2017-05-23
Szilárd Páll
Add
b
asic
d
o
xygen for the Ver
l
et nonbonded mo
d
ule
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Pá
l
l
R
efa
c
tor CUDA kernel use of tables
commit
|
commitdiff
|
tree
2017-03-29
Szilár
d
Páll
Ad
d
CUDA uti
l
fu
n
c
t
ion
f
or co
n
stant
lo
a
ds
commit
|
commitdiff
|
tree
2017-03-25
Szilárd
P
á
ll
Conditional tweak in
the nonbonded
GPU kern
e
ls
commit
|
commitdiff
|
tree
2017-03-17
S
zi
l
á
r
d
P
á
ll
Allow bypass
i
n
g OpenCL device compatibil
i
ty check
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Páll
Print code of
u
nk
n
own OpenCL error
commit
|
commitdiff
|
tree
2017-03-09
Szilárd P
á
l
l
F
i
x
md
r
un hanging upon
exit with
s
e
p P
M
E ra
n
k
s
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Páll
Remove
u
n
used argument in G
P
U kernels
commit
|
commitdiff
|
tree
2016-12-09
Szilárd Páll
Turn
o
ff hwloc
support
w
hen static lib found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
Correct kern
e
l
l
a
unch b
o
unds for C
U
DA sm_60
commit
|
commitdiff
|
tree
2016-11-01
Szilárd P
á
ll
Merge "Merge branch release-2016"
commit
|
commitdiff
|
tree
2016-10-28
Sz
i
lárd Páll
GP
U
-
r
e
l
a
te
d
additions to the install/user guide
commit
|
commitdiff
|
tree
2016-10-27
Szilár
d
Páll
Make -cl-fast-relaxed-math de
f
ault
commit
|
commitdiff
|
tree
2016-10-26
Szilárd Páll
Add GM
X
_DISABL
E
_GPU_TIMING e
n
v var
commit
|
commitdiff
|
tree
2016-10-09
Szilá
r
d Páll
Correct kernel laun
c
h bounds for CUDA
s
m_60
commit
|
commitdiff
|
tree
2016-08-27
Szilá
r
d
P
á
ll
Make ASAN/TSAN/MSAN build
t
ypes easi
e
r to discover
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
Add P
D
F
m
etadata to
the m
a
n
ual
commit
|
commitdiff
|
tree
2016-07-08
Szilárd
P
ál
l
User
g
u
ide clarific
a
tions
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Add user guide inf
o
on CU
D
A application clocks
commit
|
commitdiff
|
tree
2016-07-05
Szilárd
P
áll
Document
G
MX_GPU_APPLICATI
O
N_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Sz
i
lárd Páll
Disab
l
e NVIDIA JIT
c
ac
h
e with OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Pál
l
Fix
CUDA build
w
ith multiple
c
omp
i
lati
o
n unit
s
commit
|
commitdiff
|
tree
2016-06-05
Szilár
d
Páll
A
d
d
s
upport
for
C
UDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szil
á
rd
Páll
A
dd env
.
var
.
to e
n
able OpenCL
caching
commit
|
commitdiff
|
tree
2016-06-02
Szil
á
rd Pál
l
Fix
O
penCL binary
c
a
che fi
l
e name generation
commit
|
commitdiff
|
tree
2016-05-05
Sz
i
lárd Pál
l
Remove CUDA host compil
e
r consistency c
h
ecks
commit
|
commitdiff
|
tree
2016-04-28
Sz
i
l
á
r
d
Páll
W
orkaround for gcc fals
e
positive warn
i
ng
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Páll
Fix multiple MPI
ranks per n
o
de with O
p
enCL
commit
|
commitdiff
|
tree
2016-04-26
Szilá
r
d Páll
Fix Op
e
nCL ass
e
rt
i
on
commit
|
commitdiff
|
tree
2016-04-19
Szilárd Pá
l
l
Move out CUDA p
r
ofiler triggers from
NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szil
á
r
d Páll
S
p
el
l
i
n
g fix
e
s
commit
|
commitdiff
|
tree
2016-04-13
Sz
i
lárd Páll
Do not create
em
p
t
y
man/
m
an7 d
i
rect
o
r
y
commit
|
commitdiff
|
tree
2016-04-04
S
zilárd
P
á
l
l
M
ark more
v
ariables as adv
a
nc
e
d
commit
|
commitdiff
|
tree
2016-03-31
Szilárd
Páll
refa
c
tor
CUD
A
texture-based t
a
b
l
e initialization
commit
|
commitdiff
|
tree
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