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Version 2016.4
2017-09-11
Szilárd
P
áll
NVIDIA Volta performance
t
weaks
commit
|
commitdiff
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tree
2017-06-20
Szilá
r
d Páll
R
e
-en
a
ble a
c
cidentally lo
s
t
DD warn
i
n
g
commit
|
commitdiff
|
tree
2017-06-07
S
zil
á
rd Páll
Suppress sm_2x de
p
r
e
ca
t
i
o
n warn
i
n
g
w
ith
CUDA
8
.
0
commit
|
commitdiff
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tree
2017-06-05
S
zilárd Pá
l
l
Add CUDA 8
.
0 +
SIMD pre-s
u
bmit te
s
t
commit
|
commitdiff
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tree
2017-03-09
Szi
l
ár
d
Páll
Fix mdrun
hanging
upon
e
xit wit
h
sep PME ranks
commit
|
commitdiff
|
tree
2016-12-09
Szi
l
árd
Páll
Turn off hwloc support whe
n
static lib found
commit
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commitdiff
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tree
2016-11-17
Szilárd P
á
ll
Cor
r
e
c
t
kernel launch bounds for CUDA
sm_60
commit
|
commitdiff
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tree
2016-10-28
S
z
i
l
árd Páll
G
PU-related addit
i
ons to the install/user gui
d
e
commit
|
commitdiff
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tree
2016-10-27
Szilárd Pá
l
l
Ma
k
e -cl-fast-relaxed-ma
t
h default
commit
|
commitdiff
|
tree
2016-10-26
Szilárd Pá
l
l
Add GMX_DISABLE_GPU_TIMING env var
commit
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commitdiff
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tree
2016-10-09
S
z
i
lá
r
d Páll
Correct kernel
l
a
u
nch bounds for CUDA sm_60
commit
|
commitdiff
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tree
2016-07-08
Szilárd Páll
Add PDF metadata to the manual
commit
|
commitdiff
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tree
2016-07-08
Szilá
r
d Páll
User g
u
ide clarifications
commit
|
commitdiff
|
tree
2016-07-07
Szilárd
P
áll
Add user gui
d
e info o
n
CU
D
A application
c
l
ocks
commit
|
commitdiff
|
tree
2016-07-05
Szi
l
á
r
d Páll
Do
c
u
m
ent G
M
X_GP
U
_
A
P
PL
I
CATION_CLOCKS
commit
|
commitdiff
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tree
2016-07-04
Szil
á
rd Páll
Disable
NVIDIA JIT cache
wit
h
OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Páll
Fix CUDA build with multiple com
p
ilation
units
commit
|
commitdiff
|
tree
2016-06-05
Szilárd
Páll
Add support for
C
U
DA C
C
6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szi
l
árd Páll
Add env
.
v
a
r
.
to ena
b
le OpenCL caching
commit
|
commitdiff
|
tree
2016-06-02
Szilá
r
d
Páll
Fix
Op
e
nCL bin
a
ry cache fil
e
na
m
e
gen
e
ration
commit
|
commitdiff
|
tree
2016-05-05
S
z
i
l
árd Páll
Remove CUDA host compiler
c
onsiste
n
c
y
chec
k
s
commit
|
commitdiff
|
tree
2016-04-28
Sz
i
lá
r
d Páll
Workaround for gcc false posi
t
ive warni
n
g
commit
|
commitdiff
|
tree
2016-04-27
Szi
l
á
r
d
Páll
F
ix mul
t
iple MPI r
a
nks
p
er node with OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szilá
r
d Páll
Fix
Ope
n
CL asse
r
t
i
on
commit
|
commitdiff
|
tree
2016-04-19
Szilár
d
P
á
ll
Mo
v
e o
u
t CUD
A
prof
i
ler t
r
i
ggers from NB
N
XN
commit
|
commitdiff
|
tree
2016-04-13
Szilárd Páll
Spelling f
i
xes
commit
|
commitdiff
|
tree
2016-04-13
Szilárd
P
áll
Do not
c
reate empty man/m
a
n7 direc
t
ory
commit
|
commitdiff
|
tree
2016-04-04
Szilárd Páll
Mark m
o
re varia
b
les
a
s
a
dvan
c
e
d
commit
|
commitdiff
|
tree
2016-03-31
Szi
l
árd Páll
re
f
actor CUD
A
tex
t
u
re-based table initialization
commit
|
commitdiff
|
tree
2016-03-31
Szilá
r
d
Páll
Fix mul
t
i
ple tMPI
r
an
k
s per OpenCL
d
ev
i
ce
commit
|
commitdiff
|
tree
2016-03-30
Sz
i
l
árd Páll
LJ combination rule
kernels for OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd P
á
ll
Re
-
enable i-atom t
y
p
e local mem prefet
c
h in OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szi
l
árd Páll
D
e
s
c
r
ibe AMD APPSD
K
3
.
0 issu
e
s
i
n the guide
commit
|
commitdiff
|
tree
2016-03-17
Szi
l
ár
d
Pá
l
l
Fixe
d
OpenCL e
/
fshift cl
e
ar kerne
l
first invocation
commit
|
commitdiff
|
tree
2016-02-26
Szilárd Páll
Fix leftover load()
c
alls in the sim
d
ut
i
l
headers
commit
|
commitdiff
|
tree
2016-02-19
Szilárd
P
áll
Fi
x
O
p
enCL table inte
r
polations of Ewald c
o
rre
c
tion
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Pál
l
reintroduc
e
supe
r
c
l interaction ma
s
k consta
n
t
commit
|
commitdiff
|
tree
2016-02-17
Szilárd
P
áll
change macros to constants i
n
G
P
U
c
ode
commit
|
commitdiff
|
tree
2016-02-15
Szilárd Páll
Allow GMX_NB_MIN_CI=0 to be pa
s
sed
commit
|
commitdiff
|
tree
2016-02-11
Szilárd Páll
Re-e
n
ab
l
e LJ-
P
M
E
+ Loren
t
z-Berthe
l
o
t
o
n
GPU
s
commit
|
commitdiff
|
tree
2016-02-08
S
zil
á
rd Pá
l
l
Handle uniformly GMX_OCL_NOGENCACHE
commit
|
commitdiff
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tree
2016-01-26
Sz
i
lárd Páll
GPU code reorganiz
a
tion and
t
w
eaks
commit
|
commitdiff
|
tree
2016-01-20
Szilárd Pá
l
l
Merge remote-t
r
acking bra
n
ch 'origin/re
l
ea
s
e-5-1' int
o
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Szilárd Páll
split NBNXN
CUDA ker
n
els into f
o
ur compilation uni
t
s
commit
|
commitdiff
|
tree
2015-10-15
S
z
ilárd Páll
Add CUDA nvcc >=7
.
0
s
upport
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Corre
c
t CU
D
A versi
o
n c
o
m
p
a
r
ison
s
commit
|
commitdiff
|
tree
2015-05-06
S
zi
l
árd Páll
Merge "Merge rel
e
a
se-4-6 int
o
r
elease-5-
0
"
into r
e
l
ease-5-0
commit
|
commitdiff
|
tree
2015-04-21
Szi
l
árd Páll
A
l
l
o
w manually setting
tar
g
e
t GPU architectures
commit
|
commitdiff
|
tree
2015-04-17
Szilár
d
Páll
define
C
UDA v
e
rsion an
d
texobj support in
con
f
ig
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szi
l
ár
d
Páll
Add ker
n
el and compiler suport for CC 3
.
7 dev
i
ces
commit
|
commitdiff
|
tree
2014-11-17
Szil
á
r
d Páll
Allow increasin
g
CUDA th
r
e
ad
b
lock
size
commit
|
commitdiff
|
tree
2014-11-17
Sz
i
lárd Páll
Add CUDA co
m
piler su
p
port for CC 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Szilárd
P
áll
Start nvprof profiling at cou
n
ter reset
commit
|
commitdiff
|
tree
2014-09-26
Szilár
d
Páll
Fix
incorrect assertion stateme
n
t
commit
|
commitdiff
|
tree
2014-09-09
Szilárd Páll
Fix malformed CUDA version macro check
commit
|
commitdiff
|
tree
2014-06-01
Szilárd Pá
l
l
A
dd
q
uot
e
on
t
he kT-
k
j/
m
ol c
o
nver
s
ion factor
commit
|
commitdiff
|
tree
2014-03-11
Szilárd
P
áll
B
um
p
req
u
ired CUD
A
versio
n
to
4
.
0
commit
|
commitdiff
|
tree
2014-01-28
Szilárd
Pál
l
clarified OpenMP-related
t
hings
i
n mdr
u
n
help/
m
a
n
commit
|
commitdiff
|
tree
2013-11-19
Szilárd Páll
Fix
D
D loa
d
b
alan
c
ing bug with GPU s
h
aring
commit
|
commitdiff
|
tree
2013-05-30
Szilárd Páll
fix unnecessary switc
h
to polling GPU wait
commit
|
commitdiff
|
tree
2013-02-10
Szi
l
á
r
d
P
á
l
l
use legacy
C
UDA non-bonded kernels only on Fermi
commit
|
commitdiff
|
tree
2013-01-18
Szilárd Páll
f
ix
Op
e
nMP detection on Mac
OS
b
roken by a6
f
ee0b
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Pál
l
ad
d
ed missing cleanup of some nb
n
x
n_cuda data
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Pál
l
Merge ch
a
n
ges I93
0
b316c,Ie
a
428
3
e0,I1
0
3648f8 i
n
to re
l
e
a
se-4-6
commit
|
commitdiff
|
tree
2013-01-17
S
z
ilárd Pá
l
l
u
se
t
he compi
l
er version provided by CMake >
=
2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
note
the
r
e
ason for auto-disabling GPU supp
o
rt in CMak
e
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
c
larif
y
wording of GP
U
drive
r
-
re
l
ated notes
commit
|
commitdiff
|
tree
2013-01-15
Sz
i
lárd
Páll
disa
b
le OpenMP with all O
S
X gcc 4
.
2-b
a
s
ed compilers
commit
|
commitdiff
|
tree
2012-12-19
Szilá
r
d Páll
Me
r
g
e
"Avo
i
d
using unde
f
ined CMake
v
a
r
iable
s
" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Szil
á
r
d Páll
Merge "Removed
orp
h
an
f
i
l
e
" into re
l
ease-4-6
commit
|
commitdiff
|
tree
2012-12-17
Szilárd Pá
l
l
Me
r
ge "reduced
P
LINCS communic
a
t
i
on with
H
-bond con
s
traints
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Szilár
d
Páll
M
erge changes I9b
8
6
5
c4c,Ib709290e into release-4-
6
commit
|
commitdiff
|
tree
2012-11-23
Szilárd Páll
Merge "
U
pdates
t
o CMake treatment of Open
M
P
"
int
o
rel
e
as
e
-4-
6
commit
|
commitdiff
|
tree
2012-10-25
Szilárd
P
áll
fi
x
false
positive gcc 4
.
7
warni
n
g in libxdrf
commit
|
commitdiff
|
tree
2012-10-24
Szilárd Páll
enable GMX_
P
RE
F
ER_S
T
ATIC
_
LIBS CMake optio
n
o
n
Mac OS X
commit
|
commitdiff
|
tree
2012-07-03
Sz
i
lárd Páll
Merge "Minor
f
ormatting a
n
d consistency changes to
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
Szilárd
Páll
Merge "Fix
C
lang
3
.
1
c
ompile e
r
ror"
commit
|
commitdiff
|
tree
2012-04-26
S
z
ilárd Pál
l
Merge "fixed initial COM motion removal w
i
t
h
multiple
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
Szilá
r
d Páll
Merge changes
If0c2f9d9,Ic2a
8
ad82 into relea
s
e-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szi
l
árd
P
áll
Merge "Append all I
C
C Per
f
ormance
f
l
ag
s
only to
R
e
lease
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilá
r
d Páll
Merge "Merges in th
r
e
a
d
i
ng b
r
anch as
o
ne squas
h
ed commit
.
.
.
commit
|
commitdiff
|
tree
2011-10-06
Szilá
r
d Pá
l
l
Merge "R
e
moved dupl
i
cat
e
CMake
f
unctiona
l
i
ty" into
.
.
.
commit
|
commitdiff
|
tree