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Make loop variables in orires.cpp local
2017-07-27
Sz
i
lárd
P
áll
Inform
use
r
s a
b
out the
e
nd of
r
un DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilárd Páll
Add ARM_NEON_ASIM
D
post-submit test
commit
|
commitdiff
|
tree
2017-06-21
Szilárd
Páll
R
e-enable
l
os
t
DD warning + minor code moderni
z
ation
commit
|
commitdiff
|
tree
2017-06-20
Szi
l
árd
Páll
Re
-
enable acci
d
entally lost DD war
n
i
n
g
commit
|
commitdiff
|
tree
2017-06-20
Szi
l
á
r
d Páll
Refactoring +
c
la
r
ificatio
n
of DLB state h
a
ndling
commit
|
commitdiff
|
tree
2017-06-15
Szilár
d
Páll
Allow disabling the explicit use of CUDA textures
commit
|
commitdiff
|
tree
2017-06-07
Szil
á
rd Pá
l
l
S
u
p
p
ress sm_2x de
p
recatio
n
warning with C
U
DA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szil
á
rd Páll
Add CUD
A
8
.
0
+ SIMD pre-submit test
commit
|
commitdiff
|
tree
2017-06-02
Sz
i
lárd Páll
Add A
R
M_NEON po
s
t-submit te
s
t
commit
|
commitdiff
|
tree
2017-05-29
Szi
l
árd Pál
l
Quo
t
es are cool, typo-fre
e
ones are even "cooler"
commit
|
commitdiff
|
tree
2017-05-23
Sz
i
lár
d
Pá
l
l
A
d
d basi
c
dox
y
gen fo
r
the V
e
rlet nonb
o
n
ded mo
d
ule
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
R
e
fa
c
t
o
r
CU
D
A kern
e
l use of
tables
commit
|
commitdiff
|
tree
2017-03-29
Sz
i
lá
r
d Páll
Add CUD
A
util
f
unction fo
r
constant load
s
commit
|
commitdiff
|
tree
2017-03-25
Sz
i
lárd Pá
l
l
Co
n
ditional
tweak in the nonbonded GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Szi
l
árd Páll
Allow bypass
i
ng OpenCL device compatibility check
commit
|
commitdiff
|
tree
2017-03-16
Szilá
r
d Pál
l
Print code of unknown
O
pe
n
CL
e
rror
commit
|
commitdiff
|
tree
2017-03-09
S
zilárd Páll
Fix mdrun hanging
u
pon exit with sep P
M
E ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Páll
Remove
unused argu
m
ent in GPU ke
r
ne
l
s
commit
|
commitdiff
|
tree
2016-12-09
Szilárd
P
ál
l
T
urn off hwloc support when static lib found
commit
|
commitdiff
|
tree
2016-11-17
Szi
l
á
rd Páll
Cor
r
e
ct kerne
l
lau
n
ch bounds fo
r
CUDA
s
m
_60
commit
|
commitdiff
|
tree
2016-11-01
Szilárd Páll
Merge "Merge branch releas
e
-201
6
"
commit
|
commitdiff
|
tree
2016-10-28
S
z
ilárd Pá
l
l
GPU-
r
e
l
ated additions
t
o the instal
l
/u
s
er g
u
ide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Páll
Make -cl-fast-relaxed-math de
f
a
u
lt
commit
|
commitdiff
|
tree
2016-10-26
Szilárd P
á
l
l
Add GMX_DISABL
E
_GPU_T
I
MING env var
commit
|
commitdiff
|
tree
2016-10-09
Sz
i
lárd Páll
Correc
t
kernel l
a
unch bo
u
nds fo
r
C
UDA sm_60
commit
|
commitdiff
|
tree
2016-08-27
S
z
i
l
á
r
d
Páll
Make ASAN/
T
SAN/MSAN build
t
ypes eas
i
er to
d
iscover
commit
|
commitdiff
|
tree
2016-07-08
Szilárd
Páll
A
d
d PDF m
e
tadata to the manual
commit
|
commitdiff
|
tree
2016-07-08
Sz
i
lárd Pá
l
l
User
g
u
i
de clarificati
o
ns
commit
|
commitdiff
|
tree
2016-07-07
Sz
i
l
árd Pál
l
A
d
d user guide info o
n
CUDA application clocks
commit
|
commitdiff
|
tree
2016-07-05
Sz
i
lárd Páll
D
o
c
um
e
nt GMX_GPU_APPLICATION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szilárd Pál
l
D
i
s
able NV
I
DIA JIT cac
h
e with OpenC
L
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Páll
Fix CUDA build with multi
p
le compilation units
commit
|
commitdiff
|
tree
2016-06-05
Szilárd
P
áll
Add support
f
or
CUD
A
CC
6
.
0
/
6
.
1
commit
|
commitdiff
|
tree
2016-06-02
S
z
ilárd Páll
Add
e
n
v
.
var
.
to
e
nable OpenC
L
c
aching
commit
|
commitdiff
|
tree
2016-06-02
S
zilárd
P
áll
Fix
O
penC
L
b
inary cache file name
generation
commit
|
commitdiff
|
tree
2016-05-05
Szilá
r
d Páll
Remove CUDA host compiler consistency ch
e
cks
commit
|
commitdiff
|
tree
2016-04-28
Szilárd Páll
Work
a
round fo
r
gcc
f
alse posit
i
ve warning
commit
|
commitdiff
|
tree
2016-04-27
Szilárd
P
áll
F
ix multiple M
P
I r
a
nks
per
node with
Op
e
nCL
commit
|
commitdiff
|
tree
2016-04-26
S
z
ilárd
Páll
Fix OpenCL assertion
commit
|
commitdiff
|
tree
2016-04-19
Szilárd P
á
ll
Mov
e
o
u
t CUDA profiler tri
g
gers fro
m
NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szilárd
P
á
ll
S
pelling
fixes
commit
|
commitdiff
|
tree
2016-04-13
Szil
á
rd
P
áll
Do not create e
m
p
t
y man/man7 dir
e
ctory
commit
|
commitdiff
|
tree
2016-04-04
Szi
l
árd
P
áll
Mark more variables as advanced
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
refactor CUDA
textu
r
e-based
t
able in
i
tiali
z
ation
commit
|
commitdiff
|
tree
2016-03-31
Sz
i
l
á
rd Páll
Fix mult
i
ple tMPI ranks per OpenCL device
commit
|
commitdiff
|
tree
2016-03-30
Szilárd
Pál
l
LJ
combination rule k
e
rnels for Op
e
nCL
commit
|
commitdiff
|
tree
2016-03-30
Szi
l
árd Pá
l
l
Re-
e
nable i-atom
t
ype local mem pref
e
t
ch in
OpenCL
commit
|
commitdiff
|
tree
2016-03-30
S
z
ilárd Páll
De
s
cribe AM
D
APPSDK 3
.
0
iss
u
es in the guide
commit
|
commitdiff
|
tree
2016-03-17
Szilárd
P
áll
Fixed Open
C
L
e
/
fsh
i
ft
clear ker
n
el first invocation
commit
|
commitdiff
|
tree
2016-02-26
Szilárd Pál
l
Fix leftove
r
load()
cal
l
s in the simd
u
t
i
l headers
commit
|
commitdiff
|
tree
2016-02-19
Szilárd Páll
Fix OpenCL ta
b
le
i
nterpolations
o
f Ewald
c
o
r
rection
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Pá
l
l
r
e
introduce su
p
ercl interactio
n
m
a
sk
c
onstant
commit
|
commitdiff
|
tree
2016-02-17
S
z
ilárd Páll
cha
n
ge macros to
constant
s
in
G
PU
code
commit
|
commitdiff
|
tree
2016-02-15
Szilárd Páll
Al
l
ow GMX_NB_MIN_CI=0 to be pa
s
s
e
d
commit
|
commitdiff
|
tree
2016-02-11
Szil
á
rd Páll
Re-enable LJ-PME + L
o
rentz-Berthelot on GPUs
commit
|
commitdiff
|
tree
2016-02-08
Szilárd Páll
Handle
u
niformly GM
X
_OCL_NOGENCACHE
commit
|
commitdiff
|
tree
2016-01-26
Szilárd Páll
GPU c
o
de re
o
rganization and twea
k
s
commit
|
commitdiff
|
tree
2016-01-20
Szil
á
rd Páll
M
e
rge remote-trac
k
i
n
g bran
c
h 'origin/r
e
lease-5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Szilárd Páll
s
plit NB
N
X
N CUDA kernels into four comp
i
lat
i
on units
commit
|
commitdiff
|
tree
2015-10-15
Szilá
r
d
Páll
Ad
d
CUDA nv
c
c >=7
.
0
s
upport
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Correct CUDA version comparis
o
ns
commit
|
commitdiff
|
tree
2015-05-06
Szilárd
P
áll
Merge "Mer
g
e
r
eleas
e
-4
-
6 into releas
e
-
5
-0" into
relea
s
e-5-0
commit
|
commitdiff
|
tree
2015-04-21
Szi
l
árd Páll
Allo
w
ma
n
u
a
ll
y
sett
i
ng t
a
rget
G
PU architectures
commit
|
commitdiff
|
tree
2015-04-17
Szilárd
Pál
l
defi
n
e
C
UDA version and texobj support in co
n
fig
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilá
r
d Pál
l
A
dd k
e
rnel and
c
ompiler suport for CC 3
.
7
d
evices
commit
|
commitdiff
|
tree
2014-11-17
S
z
ilár
d
Pá
l
l
All
o
w
increasing CUDA thread block
s
i
z
e
commit
|
commitdiff
|
tree
2014-11-17
Szilárd Pá
l
l
A
d
d CUDA c
o
mpiler s
u
pport
f
or CC 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
S
z
ilár
d
Páll
S
t
art nvprof
p
rofili
n
g
at
c
ounter reset
commit
|
commitdiff
|
tree
2014-09-26
Szilárd Páll
Fix incorrect assertion st
a
tement
commit
|
commitdiff
|
tree
2014-09-09
Szilárd
P
á
l
l
Fix mal
f
orm
e
d CUDA ver
s
io
n
m
acro c
h
eck
commit
|
commitdiff
|
tree
2014-06-01
Szil
á
rd Páll
Add
quote on the k
T
-
kj/mo
l
conversion factor
commit
|
commitdiff
|
tree
2014-03-11
Szilárd Páll
B
ump required CUDA v
e
rsion
t
o
4
.
0
commit
|
commitdiff
|
tree
2014-01-28
Szilárd Páll
cl
a
rified Ope
n
MP-related things in
mdrun help/m
a
n
commit
|
commitdiff
|
tree
2013-11-19
S
z
ilárd Páll
F
i
x DD load b
a
lancing bug with GPU sharing
commit
|
commitdiff
|
tree
2013-05-30
Szilá
r
d Páll
fix unnecessary switch to
p
o
l
ling
G
P
U
w
a
i
t
commit
|
commitdiff
|
tree
2013-02-10
Szilárd
Páll
use legacy CUDA non-bonded
k
ernels on
l
y on Fe
r
mi
commit
|
commitdiff
|
tree
2013-01-18
S
zilárd Páll
fix OpenMP detection on Ma
c
OS broken by a6fee0b
commit
|
commitdiff
|
tree
2013-01-17
Szilár
d
Páll
add
e
d missi
n
g cleanup of some nbnxn_c
u
d
a
data
commit
|
commitdiff
|
tree
2013-01-17
Szilárd
P
áll
Merge
c
hang
e
s
I930b316c,Iea4283
e
0,I103
6
48f8 into
r
e
lease-4-6
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
u
s
e the co
m
piler ve
r
sion prov
i
ded
by
CMake
>
=2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Pál
l
note the r
e
ason fo
r
aut
o
-
d
is
a
bling
G
PU support in CMake
commit
|
commitdiff
|
tree
2013-01-17
Szi
l
árd P
á
ll
c
l
a
r
ify
wor
d
ing of GPU dr
i
ver-r
e
lated notes
commit
|
commitdiff
|
tree
2013-01-15
S
zilár
d
Pá
l
l
d
isab
l
e Op
e
nMP with all OS X gcc 4
.
2-b
a
sed compilers
commit
|
commitdiff
|
tree
2012-12-19
Szil
á
r
d
Páll
Merge
"Avoid using
undefined CMak
e
variables" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Szilár
d
Páll
Merge "
R
e
m
o
v
ed orphan file"
into release
-
4-6
commit
|
commitdiff
|
tree
2012-12-17
Szi
l
árd
Pál
l
Me
r
ge "redu
c
ed P
L
I
N
CS communic
a
tion with H-bond
constrai
n
ts
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Szilá
r
d Páll
M
erge chang
e
s I9b865c4c,Ib709290e into release-
4
-6
commit
|
commitdiff
|
tree
2012-11-23
S
zilárd
Páll
Merge
"Updates
t
o CMake
t
reatmen
t
of OpenMP"
into
r
e
lease-4-6
commit
|
commitdiff
|
tree
2012-10-25
Szilárd Páll
fix fal
s
e po
s
it
i
v
e
gcc 4
.
7 warning in libxd
r
f
commit
|
commitdiff
|
tree
2012-10-24
S
z
ilár
d
P
á
ll
enable
G
MX_PRE
F
ER
_
STATIC_LIBS CMake option on Mac OS
X
commit
|
commitdiff
|
tree
2012-07-03
Szil
á
rd Páll
Merge "Minor
f
or
m
atting and con
s
istency
c
hanges to
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
Szilár
d
Páll
Merge
"
Fix
C
lang 3
.
1 co
m
pile
e
rror"
commit
|
commitdiff
|
tree
2012-04-26
Szilárd Páll
Merge "fixed initial COM mo
t
ion removal wi
t
h multiple
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
Szil
á
rd Páll
Merge
chan
g
es I
f
0c2
f
9d9,Ic2a8a
d
82 i
n
to release-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd Páll
Merge "Append all IC
C
Pe
r
f
o
rma
n
ce flags
o
n
ly
t
o Release
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Sz
i
lá
r
d
Páll
Merge "Me
r
ge
s
in threading branch
as one s
q
uashed commit
.
.
.
commit
|
commitdiff
|
tree
2011-10-06
S
zil
á
rd Páll
Merge "Removed dup
l
icate CMake functi
o
nality" i
n
to
.
.
.
commit
|
commitdiff
|
tree