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Merge "Merge branch release-5-1 into release-2016" into release-2016
2017-06-20
Szi
l
ár
d
Páll
Re
-
enable acciden
t
a
l
l
y lost DD warning
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
Suppress sm_2x depr
e
cation warning with CUDA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd Páll
Add C
U
DA 8
.
0
+ SI
M
D pre-
s
ubmit
t
e
s
t
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix
m
drun
hanging up
o
n exit
w
i
t
h
sep PME ranks
commit
|
commitdiff
|
tree
2016-12-09
Szilá
r
d Páll
Turn
off hwloc
s
u
pport
w
h
e
n
st
a
tic lib found
commit
|
commitdiff
|
tree
2016-11-17
S
z
ilárd
Pá
l
l
Correct kernel launch
b
o
u
nds
f
or C
U
D
A
sm_60
commit
|
commitdiff
|
tree
2016-10-28
Szilárd Páll
GPU
-
rela
t
ed additio
n
s
t
o the install/user guide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Páll
Make -cl
-
fast-re
l
axed
-
math defaul
t
commit
|
commitdiff
|
tree
2016-10-26
Szil
á
rd
P
áll
Ad
d
GMX_DISABLE_GPU_TI
M
ING env va
r
commit
|
commitdiff
|
tree
2016-10-09
Szilár
d
P
á
ll
Correct
k
ernel launch b
o
un
d
s for CUDA sm_
6
0
commit
|
commitdiff
|
tree
2016-07-08
S
zilárd
P
áll
Add PDF metad
a
ta to the manual
commit
|
commitdiff
|
tree
2016-07-08
Szilá
r
d Páll
User guide clarifications
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Add user guide info on
CU
D
A applica
t
io
n
clock
s
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Páll
D
o
cu
m
ent
G
MX_GP
U
_AP
P
L
I
CAT
I
ON_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szil
á
rd Páll
Disa
b
le NVIDIA JI
T
ca
c
he with OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szil
á
rd Páll
Fi
x
CUDA buil
d
wit
h
multiple c
o
mpilation units
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
Add support for CUDA CC
6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Ad
d
env
.
var
.
to enabl
e
OpenCL caching
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Fix OpenCL binar
y
cach
e
file name gene
r
at
i
on
commit
|
commitdiff
|
tree
2016-05-05
S
zilárd
Páll
Remove
C
UDA hos
t
compiler cons
i
s
te
n
c
y checks
commit
|
commitdiff
|
tree
2016-04-28
Szilárd Pá
l
l
Wor
k
around for
g
cc false
posit
i
ve warning
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Páll
Fix
m
ulti
p
l
e MPI ra
n
k
s
per n
o
de with OpenC
L
commit
|
commitdiff
|
tree
2016-04-26
Szil
á
rd
P
á
l
l
F
i
x Ope
n
C
L assert
i
on
commit
|
commitdiff
|
tree
2016-04-19
Sz
i
lárd Páll
M
o
ve
out CUDA
p
rofi
l
er tr
i
ggers f
r
om NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szilá
r
d
P
áll
S
p
elli
n
g
f
ixe
s
commit
|
commitdiff
|
tree
2016-04-13
Sz
i
l
á
rd Páll
Do not create
e
mpt
y
man/man7 direct
o
r
y
commit
|
commitdiff
|
tree
2016-04-04
Szilárd Páll
Ma
r
k
more
variables as advanced
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
refactor CUDA texture-based
t
able initialization
commit
|
commitdiff
|
tree
2016-03-31
S
zilárd Pál
l
Fix mul
t
iple
tMPI ran
k
s
per OpenC
L
devi
c
e
commit
|
commitdiff
|
tree
2016-03-30
Szilár
d
Pá
l
l
LJ com
b
ination rule kernels
f
or Ope
n
CL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd
P
áll
Re-enable
i
-at
o
m
t
y
p
e local mem pref
e
tch
i
n Open
C
L
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Páll
Descr
i
be AMD APPSDK 3
.
0 issues
i
n
th
e
g
uide
commit
|
commitdiff
|
tree
2016-03-17
Szilá
r
d Pá
l
l
Fixed OpenCL e/fshift cle
a
r kerne
l
first invocation
commit
|
commitdiff
|
tree
2016-02-26
Szilárd Pál
l
Fix leftover load()
c
all
s
in the simd util h
e
aders
commit
|
commitdiff
|
tree
2016-02-19
Szilárd Páll
F
i
x O
p
enCL table inte
r
pola
t
ions of Ewald correction
commit
|
commitdiff
|
tree
2016-02-17
S
z
i
l
árd
P
á
ll
r
eintroduce supercl interaction
mask con
s
tant
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
change macros to cons
t
ants in
GPU c
o
de
commit
|
commitdiff
|
tree
2016-02-15
Szilá
r
d P
á
ll
Allow GMX_NB_MIN
_
C
I
=0 to be passed
commit
|
commitdiff
|
tree
2016-02-11
Szilárd Pá
l
l
R
e
-enable LJ-PME + Lorentz-
B
er
t
helot on GPUs
commit
|
commitdiff
|
tree
2016-02-08
S
z
il
á
rd Páll
H
andle unifor
m
ly GMX_OCL_
N
OGENCAC
H
E
commit
|
commitdiff
|
tree
2016-01-26
Sz
i
lárd Pál
l
GPU code reorgan
i
zation and
tweaks
commit
|
commitdiff
|
tree
2016-01-20
Szilár
d
Páll
Merge
remote-track
i
ng b
r
anch
'origin/release-5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Szil
á
rd Pá
l
l
s
plit NBNXN
CUD
A
kernels into four compilation units
commit
|
commitdiff
|
tree
2015-10-15
S
z
il
á
r
d Páll
Ad
d
CUDA nvcc
>=7
.
0 support
commit
|
commitdiff
|
tree
2015-10-15
Szi
l
á
rd Páll
Co
r
rect C
U
DA ver
s
i
o
n com
p
ar
i
s
ons
commit
|
commitdiff
|
tree
2015-05-06
S
zilárd Páll
Merge "M
e
rge
r
elea
s
e-4-6 into
r
eleas
e
-
5-0" into release-5-0
commit
|
commitdiff
|
tree
2015-04-21
Szilárd
P
á
l
l
All
o
w manually setting target GPU a
r
chitec
t
ure
s
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
d
e
fine C
U
DA version and texobj
supp
o
r
t
in config
.
h
commit
|
commitdiff
|
tree
2014-11-29
S
z
il
á
rd Páll
Add k
e
rnel an
d
compil
e
r supo
r
t for CC 3
.
7 devices
commit
|
commitdiff
|
tree
2014-11-17
Szilárd P
á
ll
Al
l
ow increasing
C
UDA thread block size
commit
|
commitdiff
|
tree
2014-11-17
Szi
l
á
r
d Pál
l
Ad
d
C
UDA c
o
mpile
r
su
p
po
r
t for CC
5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Szilárd P
á
ll
Start
nvprof profi
l
i
n
g at counter rese
t
commit
|
commitdiff
|
tree
2014-09-26
Szilárd P
á
ll
F
ix inc
o
r
re
c
t asser
t
ion statemen
t
commit
|
commitdiff
|
tree
2014-09-09
S
z
ilárd Páll
Fix malformed CUDA ver
s
ion macro check
commit
|
commitdiff
|
tree
2014-06-01
S
zilárd Páll
A
dd quote on
the kT-kj/mol con
v
ersion fa
c
tor
commit
|
commitdiff
|
tree
2014-03-11
S
zi
l
á
rd P
á
ll
Bump
re
q
uired CUDA version
to 4
.
0
commit
|
commitdiff
|
tree
2014-01-28
S
z
ilárd Páll
clari
f
ied
O
p
enMP-related thi
n
g
s
in mdrun help/man
commit
|
commitdiff
|
tree
2013-11-19
Szilárd Páll
Fix DD lo
a
d bala
n
cin
g
b
u
g with GPU shari
n
g
commit
|
commitdiff
|
tree
2013-05-30
Szilárd Páll
f
i
x unnece
s
sar
y
switch to
polling G
P
U
w
ait
commit
|
commitdiff
|
tree
2013-02-10
Sz
i
lárd Páll
use legacy CUDA
non-bonded kern
e
ls
o
nly on
F
e
r
mi
commit
|
commitdiff
|
tree
2013-01-18
Szilárd
P
ál
l
fix OpenMP detectio
n
on Mac
OS
b
roken by a6fe
e
0b
commit
|
commitdiff
|
tree
2013-01-17
Szilárd
P
áll
adde
d
m
i
ssing
c
leanup of some nbnxn
_
cu
d
a data
commit
|
commitdiff
|
tree
2013-01-17
Szilárd
Páll
Merg
e
c
h
anges I930b31
6
c,I
e
a42
8
3
e
0,I103648f8 i
n
to
r
elease-4-6
commit
|
commitdiff
|
tree
2013-01-17
Sz
i
lá
r
d Páll
use
t
he c
o
mpiler version pr
o
vided by
CMak
e
>
=
2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
S
z
ilárd Páll
note the reason for auto-disabling
G
P
U
s
upport in CMake
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
clari
f
y wording
of GPU
driv
e
r-related notes
commit
|
commitdiff
|
tree
2013-01-15
Szilárd Páll
disable OpenMP w
i
th all OS
X
gcc
4
.
2
-ba
s
ed c
o
mpilers
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Páll
M
erge "Avoid using undefined CMake
variables" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Páll
Merge "R
e
moved or
p
han file"
i
nto release-4-6
commit
|
commitdiff
|
tree
2012-12-17
Szilár
d
Páll
Merge "reduc
e
d
PLIN
C
S communi
c
ation w
i
th H-
b
ond constraint
s
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Szilárd Páll
Merge changes
I
9b
8
65
c
4c,Ib709290
e
into release-4-6
commit
|
commitdiff
|
tree
2012-11-23
Szilár
d
P
áll
Merg
e
"Updat
e
s
to
C
M
a
ke t
r
eatment of O
p
enMP"
int
o
r
ele
a
se-4-6
commit
|
commitdiff
|
tree
2012-10-25
Szil
á
rd Páll
fix false positive gcc 4
.
7 wa
r
ning in libxdrf
commit
|
commitdiff
|
tree
2012-10-24
Szi
l
árd Pál
l
enable GM
X
_PREFER_STATIC_LIBS
CMake
o
p
t
i
on on Mac OS X
commit
|
commitdiff
|
tree
2012-07-03
Szil
á
rd Páll
Merge
"
Minor fo
r
matti
n
g and c
o
nsistency changes to
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
Szilárd Páll
Merge "
F
ix Cla
n
g 3
.
1
c
ompile err
o
r"
commit
|
commitdiff
|
tree
2012-04-26
Szilárd Páll
Mer
g
e "fixed in
i
tia
l
COM mot
i
on removal with multiple
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
Szilárd P
á
ll
Merge
c
ha
n
ge
s
If0c2f9d
9
,
Ic2a8ad8
2
i
n
to release-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd Páll
Merge "Append all IC
C
P
erform
a
nce
flags only to Releas
e
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd Páll
M
e
rge "Mer
g
es in
threading branch as o
n
e squashe
d
commit
.
.
.
commit
|
commitdiff
|
tree
2011-10-06
Szilárd Páll
Me
r
ge "Remov
e
d dup
l
icate CMake f
u
nctionality" into
.
.
.
commit
|
commitdiff
|
tree