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Removed unnecessary static declarations for command-line parsing
2017-06-26
Szilárd
P
áll
Add ARM_NEON_ASIMD post-
s
ubmit t
e
st
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
R
e-enable los
t
DD warning + minor co
d
e modernization
commit
|
commitdiff
|
tree
2017-06-20
Sz
i
lá
r
d Páll
Re-enable accid
e
n
t
ally lost
DD warning
commit
|
commitdiff
|
tree
2017-06-20
Szil
á
r
d P
á
ll
Refa
c
torin
g
+ clar
i
ficat
i
on of DLB sta
t
e han
d
ling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
Allow dis
a
bling the explicit use of CU
D
A
textures
commit
|
commitdiff
|
tree
2017-06-07
Szil
á
rd Páll
Su
p
pres
s
sm_2x
deprecation warnin
g
wi
t
h 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
Szilárd Pá
l
l
Add ARM_NEON post
-
sub
m
it
t
e
st
commit
|
commitdiff
|
tree
2017-05-29
Szilárd P
á
ll
Quo
t
es are cool, typo
-
f
r
ee one
s
a
re
e
ve
n
"cooler"
commit
|
commitdiff
|
tree
2017-05-23
Szil
á
rd Páll
Add
basi
c
d
o
xygen for the Verlet nonbonded mod
u
le
commit
|
commitdiff
|
tree
2017-03-29
Sz
i
lárd Pá
l
l
R
efactor CUDA kernel use
o
f table
s
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
A
dd CUDA ut
i
l
f
unction
for constant loa
d
s
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Páll
Con
d
itional twea
k
in the
n
onbon
d
ed GPU ke
r
ne
l
s
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Páll
Allow
bypassi
n
g Open
C
L device compat
i
bilit
y
ch
e
ck
commit
|
commitdiff
|
tree
2017-03-16
Szi
l
árd Páll
Print code
of unknown OpenCL error
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix mdrun hang
i
ng upon exit with sep PME ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Páll
Remove unused argument
in GP
U
k
ernels
commit
|
commitdiff
|
tree
2016-12-09
Szilárd Páll
Turn off
hwloc support whe
n
static l
i
b
f
ound
commit
|
commitdiff
|
tree
2016-11-17
Szil
á
rd Páll
C
o
rrect kernel launch bou
n
ds fo
r
CUDA sm_60
commit
|
commitdiff
|
tree
2016-11-01
Szil
á
rd Páll
M
e
rge "Merge
branch release
-
2016"
commit
|
commitdiff
|
tree
2016-10-28
Sz
i
lárd Páll
G
P
U
-re
l
ated additions to the install/user guid
e
commit
|
commitdiff
|
tree
2016-10-27
Szil
á
rd Pál
l
M
a
ke -cl-fast-
r
e
l
a
x
e
d-math de
f
ault
commit
|
commitdiff
|
tree
2016-10-26
Szilárd Páll
Add GMX
_
DISABLE_GPU_TIMIN
G
env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
Correct kernel
lau
n
ch b
o
u
n
ds
f
or CUDA sm
_
60
commit
|
commitdiff
|
tree
2016-08-27
Szi
l
árd
Pá
l
l
Make
A
SAN/TSA
N
/MSAN bu
i
l
d
types eas
i
er to
discover
commit
|
commitdiff
|
tree
2016-07-08
Sz
i
lár
d
Páll
Add
PDF metada
t
a to the m
a
nual
commit
|
commitdiff
|
tree
2016-07-08
Szilárd
Pá
l
l
User gui
d
e clarificat
i
ons
commit
|
commitdiff
|
tree
2016-07-07
S
zilárd Pál
l
Add user guide info on CUDA
a
pplication clocks
commit
|
commitdiff
|
tree
2016-07-05
S
zilárd Páll
Document G
M
X_GPU_APPLICATION_CL
O
C
K
S
commit
|
commitdiff
|
tree
2016-07-04
Sz
i
lárd Páll
D
i
sa
b
le NVIDIA JIT c
a
che wit
h
Ope
n
C
L
commit
|
commitdiff
|
tree
2016-06-14
Szilá
r
d
Páll
Fix CUDA
b
uild with multi
p
le
c
ompil
a
tion uni
t
s
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
Add support for CUDA C
C
6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Add
e
nv
.
var
.
to enable OpenCL caching
commit
|
commitdiff
|
tree
2016-06-02
Szilárd P
á
ll
Fix Ope
n
CL binary
cache f
i
le nam
e
ge
n
era
t
ion
commit
|
commitdiff
|
tree
2016-05-05
Szilárd
P
á
l
l
Remove CUDA
h
ost co
m
piler consistency ch
e
cks
commit
|
commitdiff
|
tree
2016-04-28
S
z
ilárd Páll
W
orkaround for g
c
c false positive warni
n
g
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Páll
Fi
x
mult
i
ple MPI
ran
k
s per no
d
e with OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szilárd Pá
l
l
Fi
x
Ope
n
CL assertion
commit
|
commitdiff
|
tree
2016-04-19
Szilárd Páll
Move out
C
UD
A
profil
e
r tri
g
g
e
rs from
N
BN
X
N
commit
|
commitdiff
|
tree
2016-04-13
Szilárd Páll
S
p
el
l
i
ng fixes
commit
|
commitdiff
|
tree
2016-04-13
Szilárd
Páll
Do not
c
reate e
m
pt
y
man
/
man7
director
y
commit
|
commitdiff
|
tree
2016-04-04
Szilárd Pál
l
Mark mor
e
variables as adv
a
nced
commit
|
commitdiff
|
tree
2016-03-31
Szilá
r
d Páll
r
efactor C
U
DA t
e
xture-based table in
i
t
iali
z
atio
n
commit
|
commitdiff
|
tree
2016-03-31
Szi
l
árd Páll
F
ix mul
t
ip
l
e tMPI ran
k
s per Op
e
nCL
device
commit
|
commitdiff
|
tree
2016-03-30
Szilárd P
á
ll
L
J
c
o
m
b
ination rule kernels for
O
p
enCL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd
P
áll
Re-e
n
able i-
a
t
om type loc
a
l
m
em
p
ref
e
tc
h
in OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szi
l
árd P
á
ll
D
e
scribe AMD AP
P
SDK 3
.
0 issues in
t
he guide
commit
|
commitdiff
|
tree
2016-03-17
Szilárd Pá
l
l
Fix
e
d Ope
n
CL e/fshift clear kernel first
invo
c
a
tion
commit
|
commitdiff
|
tree
2016-02-26
Szilárd
Páll
F
i
x left
o
ver
load() calls i
n
the simd util headers
commit
|
commitdiff
|
tree
2016-02-19
Szilár
d
P
áll
Fix OpenCL table
i
n
terpolations of
E
wald correc
t
ion
commit
|
commitdiff
|
tree
2016-02-17
Szilár
d
Pá
l
l
r
e
introd
u
c
e
supercl
interact
i
o
n
mask co
n
stant
commit
|
commitdiff
|
tree
2016-02-17
Sz
i
l
árd Páll
chan
g
e macr
o
s t
o
constants
in
G
PU code
commit
|
commitdiff
|
tree
2016-02-15
S
z
ilárd
P
áll
Al
l
o
w
GM
X
_NB_MIN_CI=0 to
b
e passed
commit
|
commitdiff
|
tree
2016-02-11
S
zilárd
Páll
Re-enable LJ-PME + Lorentz-
B
erthelot on GPUs
commit
|
commitdiff
|
tree
2016-02-08
S
zilárd Páll
Handle unif
o
r
mly
GMX_OCL_NOGEN
C
ACHE
commit
|
commitdiff
|
tree
2016-01-26
Szi
l
árd Pá
l
l
GPU code reorgan
i
za
t
i
on a
n
d
tweaks
commit
|
commitdiff
|
tree
2016-01-20
Szi
l
árd Páll
Merge remote-tracking branch 'o
r
i
gin/releas
e
-
5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Szilárd P
á
l
l
split NB
N
XN CUDA kernel
s
into four compilation un
i
ts
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Pá
l
l
A
dd CUDA nvcc >=7
.
0 support
commit
|
commitdiff
|
tree
2015-10-15
Szilá
r
d Páll
C
o
r
rect C
U
DA v
e
r
sion compa
r
i
son
s
commit
|
commitdiff
|
tree
2015-05-06
S
zilárd Páll
Merge "Merge
release-4
-
6 into re
l
ease
-
5-0" into
r
elea
s
e-5-
0
commit
|
commitdiff
|
tree
2015-04-21
Szilárd Páll
Allow m
a
nually setting t
a
r
get G
P
U architecture
s
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
define
C
UDA version and texobj support in config
.
h
commit
|
commitdiff
|
tree
2014-11-29
S
z
i
lár
d
P
á
l
l
Ad
d
kernel and compiler
s
uport
f
o
r
CC
3
.
7 devices
commit
|
commitdiff
|
tree
2014-11-17
S
zilárd Páll
Allow increasing CUDA thread
block size
commit
|
commitdiff
|
tree
2014-11-17
S
zil
á
rd Páll
Add C
U
DA compiler s
u
pport
for C
C
5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Szilár
d
Páll
Sta
r
t nvprof profiling at
c
ounter reset
commit
|
commitdiff
|
tree
2014-09-26
Szilár
d
Pál
l
F
i
x incor
r
ect assertion statement
commit
|
commitdiff
|
tree
2014-09-09
S
z
i
l
árd Páll
F
i
x m
a
lfo
r
m
ed CUDA version macro che
c
k
commit
|
commitdiff
|
tree
2014-06-01
Szilárd Páll
Add quote on the
kT-kj/mo
l
conversion
f
actor
commit
|
commitdiff
|
tree
2014-03-11
S
z
ilárd Páll
Bump requ
i
red CUDA version
to 4
.
0
commit
|
commitdiff
|
tree
2014-01-28
Szilárd
Páll
clarif
i
e
d OpenM
P
-related things in mdrun h
e
lp
/
man
commit
|
commitdiff
|
tree
2013-11-19
Szilárd Pá
l
l
Fix DD load
balancin
g
b
ug
w
ith GPU s
h
aring
commit
|
commitdiff
|
tree
2013-05-30
Szil
á
rd Páll
fix unnecessary
switch
to
p
olling GPU w
a
it
commit
|
commitdiff
|
tree
2013-02-10
Szilá
r
d
Páll
use
l
egacy
C
UDA non-b
o
nded kern
e
ls o
n
ly on Ferm
i
commit
|
commitdiff
|
tree
2013-01-18
Szi
l
árd Pál
l
fix OpenMP detec
t
ion on Mac OS
broken
by a6fee0b
commit
|
commitdiff
|
tree
2013-01-17
S
z
ilárd Páll
a
d
ded
m
is
s
in
g
cleanu
p
of some
n
bnxn
_
cuda data
commit
|
commitdiff
|
tree
2013-01-17
Szil
á
rd Páll
Merge changes I9
3
0b316c,I
e
a4283
e
0,I103648f8 into relea
s
e-4-6
commit
|
commitdiff
|
tree
2013-01-17
Szilárd
Páll
use the comp
i
ler versio
n
provided by CMake >
=
2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szi
l
árd Páll
note the
rea
s
o
n
f
or auto-disabli
n
g GP
U
support
i
n CM
a
ke
commit
|
commitdiff
|
tree
2013-01-17
S
zilárd P
á
l
l
clarify wording of GPU driver-related notes
commit
|
commitdiff
|
tree
2013-01-15
Szi
l
árd Páll
disa
b
le Op
e
nMP with all OS
X
g
c
c 4
.
2-based compiler
s
commit
|
commitdiff
|
tree
2012-12-19
S
zilárd Pál
l
Me
r
ge
"
Avo
i
d us
i
ng undefined CMake variables" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
S
zilárd Páll
Merge
"R
e
move
d
o
r
phan f
i
le"
into rele
a
s
e
-
4-
6
commit
|
commitdiff
|
tree
2012-12-17
Szilárd Páll
M
e
rg
e
"reduced PLINCS communi
c
ati
o
n
with
H
-bo
n
d co
n
s
traints
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Sz
i
l
ár
d
Páll
Merge c
h
anges I9b865c4c,Ib70
9
290e into r
e
l
ease-4-6
commit
|
commitdiff
|
tree
2012-11-23
Szilá
r
d Páll
M
erge
"
Updates to CMake treat
m
ent of O
p
enMP" i
n
to
r
elease-4-6
commit
|
commitdiff
|
tree
2012-10-25
Szilárd Páll
fix fa
l
se positive gcc
4
.
7
warning in libxd
r
f
commit
|
commitdiff
|
tree
2012-10-24
Szilárd
P
áll
enable GMX_P
R
EFER_STATIC_LIBS
C
M
ake option on M
a
c
OS X
commit
|
commitdiff
|
tree
2012-07-03
S
z
il
á
rd Pá
l
l
M
erge "Minor formatting and consistency changes to
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
S
z
il
á
rd Páll
Mer
g
e "Fix Clang 3
.
1 compi
l
e error"
commit
|
commitdiff
|
tree
2012-04-26
Szilárd Páll
Merge "fixed initial
C
OM motion removal wit
h
multiple
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
Szilárd Pá
l
l
M
e
rge changes If0c2f9d9,Ic2a
8
ad82 into
r
e
lease-
4
-5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilár
d
P
áll
Merge "
A
ppend all ICC Perform
a
nce flags only to Release
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd Páll
M
erge "Merges in threading br
a
n
ch a
s
one s
q
uashed co
m
mit
.
.
.
commit
|
commitdiff
|
tree
2011-10-06
Szilárd Páll
Mer
g
e "Removed duplicate
C
Make functionality" into
.
.
.
commit
|
commitdiff
|
tree