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Reduce rounding errors in SETTLE
2016-07-08
Szi
l
á
rd Páll
A
d
d
PD
F
met
a
data to
th
e
ma
n
u
a
l
commit
|
commitdiff
|
tree
2016-07-08
S
z
ilárd Páll
User guid
e
clarification
s
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Add user guid
e
info o
n
CUDA
application clocks
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Páll
Document GMX_GPU_APPLI
C
ATION_C
L
OCKS
commit
|
commitdiff
|
tree
2016-07-04
Sz
i
lárd Páll
Disable N
V
ID
I
A
JIT
cache with OpenCL
commit
|
commitdiff
|
tree
2016-06-14
S
zi
l
árd
P
áll
F
i
x CUDA build with
multiple
c
ompilat
i
on un
i
ts
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
Add sup
p
ort f
o
r CUDA CC
6
.
0
/
6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilár
d
Páll
Add env
.
var
.
to e
n
a
b
le OpenCL cach
i
ng
commit
|
commitdiff
|
tree
2016-06-02
Szil
á
rd
Páll
Fi
x
OpenCL b
i
nary cache file name generation
commit
|
commitdiff
|
tree
2016-05-05
Szilárd Pá
l
l
R
emove CU
D
A h
o
s
t
compiler consistency checks
commit
|
commitdiff
|
tree
2016-04-28
S
z
ilárd
P
áll
Worka
r
o
und for gcc false positive war
n
ing
commit
|
commitdiff
|
tree
2016-04-27
Szilá
r
d P
á
l
l
Fix multip
l
e
MP
I
r
anks per node with OpenC
L
commit
|
commitdiff
|
tree
2016-04-26
Szilárd Páll
Fix OpenCL
a
ssertio
n
commit
|
commitdiff
|
tree
2016-04-19
Szilárd Páll
M
o
v
e out CUDA profiler tr
i
ggers from NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szilárd Páll
Spelling fixes
commit
|
commitdiff
|
tree
2016-04-13
Szilárd Páll
Do not crea
t
e empty man/man
7
directory
commit
|
commitdiff
|
tree
2016-04-04
Szilárd Páll
Mark more variables as a
d
vance
d
commit
|
commitdiff
|
tree
2016-03-31
Szi
l
árd Pá
l
l
refact
o
r CUDA texture-based t
a
ble initialization
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
Fix m
u
ltiple t
M
PI ra
n
ks per OpenCL device
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Pál
l
LJ co
m
bina
t
ion rule kernels for OpenCL
commit
|
commitdiff
|
tree
2016-03-30
S
z
ilárd Páll
Re-enable i-atom
typ
e
local mem pref
e
tch in OpenCL
commit
|
commitdiff
|
tree
2016-03-30
S
z
ilárd Páll
Describe AMD APPSDK 3
.
0
issue
s
in the gu
i
de
commit
|
commitdiff
|
tree
2016-03-17
S
zilárd
Páll
Fixed OpenCL e/fshift clear kernel first invocation
commit
|
commitdiff
|
tree
2016-02-26
Szilár
d
Páll
F
i
x
lefto
v
er l
o
ad
(
)
c
alls i
n
the simd util
h
eaders
commit
|
commitdiff
|
tree
2016-02-19
Szil
á
rd
P
á
l
l
Fix OpenC
L
table interp
o
l
ations of Ewald
correction
commit
|
commitdiff
|
tree
2016-02-17
Szilár
d
Páll
rei
n
troduce supercl interaction mask
c
o
nst
a
nt
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
c
h
ange macros to constants in GPU code
commit
|
commitdiff
|
tree
2016-02-15
Sz
i
lár
d
Pá
l
l
Allow GMX_NB_MIN_CI=0
to
be passed
commit
|
commitdiff
|
tree
2016-02-11
Szilárd
Páll
Re-enable L
J
-P
M
E +
L
or
e
ntz-
B
erthelot on G
P
Us
commit
|
commitdiff
|
tree
2016-02-08
Szilárd Páll
Handle uniformly GMX_OCL_NOGENCACHE
commit
|
commitdiff
|
tree
2016-01-26
Szilárd Páll
GP
U
co
d
e reorganization and tweaks
commit
|
commitdiff
|
tree
2016-01-20
Szilárd
Páll
Me
r
ge remote-
t
racking branch 'origin/release-5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Szilárd Páll
sp
l
it
NBNXN CU
D
A kernel
s
into four compilation units
commit
|
commitdiff
|
tree
2015-10-15
Szilá
r
d Páll
Add CUDA nvcc >=
7
.
0 s
u
pp
o
rt
commit
|
commitdiff
|
tree
2015-10-15
Szi
l
á
rd Páll
Corre
c
t
CUDA version comp
a
rison
s
commit
|
commitdiff
|
tree
2015-05-06
Szilárd
P
áll
Merge "Merge rel
e
ase-4-
6
into release-5-0"
into rel
e
a
se-5-0
commit
|
commitdiff
|
tree
2015-04-21
Szilá
r
d Páll
A
l
l
o
w
manual
l
y sett
i
ng target GPU
a
rch
i
tectures
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
de
f
in
e
CU
D
A ve
r
sion and texobj support in confi
g
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilá
r
d
Pá
l
l
A
dd kernel
and compiler sup
o
rt for CC 3
.
7 devic
e
s
commit
|
commitdiff
|
tree
2014-11-17
Sz
i
lárd
P
áll
Allow inc
r
e
a
sing CUDA threa
d
block size
commit
|
commitdiff
|
tree
2014-11-17
S
zilárd Páll
Add CUDA compi
l
er suppo
r
t for CC 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Szilárd
P
áll
St
a
rt nvprof pr
o
filing at
c
ounter res
e
t
commit
|
commitdiff
|
tree
2014-09-26
Szilár
d
Páll
Fix
incorrect a
s
sertion statem
e
nt
commit
|
commitdiff
|
tree
2014-09-09
Szilárd Páll
F
ix m
a
lformed
CUDA version macro
c
heck
commit
|
commitdiff
|
tree
2014-06-01
Szilár
d
Pá
l
l
Ad
d
quote on the
k
T
-
kj/mol co
n
v
ersi
o
n
f
a
ct
o
r
commit
|
commitdiff
|
tree
2014-03-11
Sz
i
lárd
Pál
l
B
ump required CUDA v
e
rsion to 4
.
0
commit
|
commitdiff
|
tree
2014-01-28
S
z
i
l
árd
P
áll
clarified
OpenM
P
-
r
elated thin
g
s
in mdrun help/man
commit
|
commitdiff
|
tree
2013-11-19
Szil
á
rd P
á
ll
F
ix DD lo
a
d bala
n
c
ing bu
g
with GPU sha
r
ing
commit
|
commitdiff
|
tree
2013-05-30
Sz
i
lárd Páll
fix
u
nnecessary swi
t
ch
t
o
pol
l
i
n
g GPU wait
commit
|
commitdiff
|
tree
2013-02-10
S
zilárd
P
áll
use
l
egacy
CUDA non-bonded kernels onl
y
on Fermi
commit
|
commitdiff
|
tree
2013-01-18
S
zilá
r
d
Páll
fix
OpenMP d
e
tection on Mac OS b
r
ok
e
n by a6fee0b
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Pál
l
added missing cleanup of some
nbnxn_cuda
d
ata
commit
|
commitdiff
|
tree
2013-01-17
Szi
l
árd Pá
l
l
Merge
c
hanges I930b316
c
,
Iea4
2
83e
0
,I10364
8
f8 into rel
e
ase-4-6
commit
|
commitdiff
|
tree
2013-01-17
S
zilárd Páll
use the comp
i
ler versio
n
pr
o
v
ide
d
by CMake >=2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
note the
r
easo
n
for auto-di
s
a
b
ling
GPU
s
uppor
t
in CMake
commit
|
commitdiff
|
tree
2013-01-17
Szilárd
Páll
clarify wordin
g
of GPU drive
r
-related notes
commit
|
commitdiff
|
tree
2013-01-15
Szil
á
rd Páll
disable OpenMP
w
ith all
OS X
gcc
4
.
2-base
d
compilers
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Páll
Merge "Avoi
d
using un
d
efined CMake
v
ariables"
i
nto
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
S
zilárd Páll
Merge "Removed orph
a
n file
"
i
n
to release-
4
-6
commit
|
commitdiff
|
tree
2012-12-17
Szil
á
r
d
P
áll
Merge "red
u
ced P
L
INCS communication with H-bond
constra
i
n
t
s
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Szil
á
rd
P
á
ll
Merge ch
a
nges
I
9
b865c4c,Ib70
9
290e
into r
e
l
e
ase-4-6
commit
|
commitdiff
|
tree
2012-11-23
Szilárd Páll
Me
r
ge "Updates to CMake treatme
n
t of
O
pe
n
MP" in
t
o release-4-6
commit
|
commitdiff
|
tree
2012-10-25
Szilárd Páll
fix
false
p
o
sit
i
ve gcc 4
.
7 warning in
l
i
b
xdrf
commit
|
commitdiff
|
tree
2012-10-24
Szi
l
árd Pá
l
l
enable GMX_PREFER_STAT
I
C_LIBS CMake
o
ption o
n
M
a
c OS X
commit
|
commitdiff
|
tree
2012-07-03
Szil
á
rd Páll
M
e
rge "Minor
f
o
rmat
t
ing and con
s
ist
e
ncy changes
to
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
Szilárd Páll
Mer
g
e "Fix Clang 3
.
1 compile
e
r
ror"
commit
|
commitdiff
|
tree
2012-04-26
Sz
i
lárd Páll
M
e
rge
"
fi
x
e
d initial COM
m
o
tion r
e
moval with multi
p
l
e
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
S
zilá
r
d
P
á
ll
Me
r
ge changes If0c2f
9
d9,
I
c2a8ad82
into release-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilár
d
Páll
Merge "Append all
I
CC
Perfo
r
m
ance fla
g
s only to
R
e
lease
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd Páll
Merg
e
"Merges in threading branch
a
s
o
n
e
squash
e
d
c
om
m
it
.
.
.
commit
|
commitdiff
|
tree
2011-10-06
Szilárd
P
á
l
l
Merge "R
e
mov
e
d duplicate CMa
k
e func
t
ionality" into
.
.
.
commit
|
commitdiff
|
tree