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Improved some mdrun integration tests
2016-03-17
S
zilá
r
d Páll
Fix
e
d OpenCL
e
/fshif
t
clear ker
n
el f
i
r
s
t i
n
voc
a
tion
commit
|
commitdiff
|
tree
2016-02-26
Szilárd Páll
Fix le
f
tover lo
a
d() ca
l
ls
i
n the simd util heade
r
s
commit
|
commitdiff
|
tree
2016-02-19
Szilárd Páll
F
ix OpenCL tabl
e
interpola
t
i
ons o
f
Ewald
c
o
r
rection
commit
|
commitdiff
|
tree
2016-02-17
Szi
l
árd Páll
r
e
i
ntroduce super
c
l intera
c
t
i
o
n mask constant
commit
|
commitdiff
|
tree
2016-02-17
S
zilárd P
á
ll
change mac
r
os to
c
on
s
tants in GPU code
commit
|
commitdiff
|
tree
2016-02-15
Szi
l
árd Páll
Al
l
ow GMX_NB_MIN_CI=0 to be passed
commit
|
commitdiff
|
tree
2016-02-11
Szil
á
rd Páll
Re-enable LJ-P
M
E
+ Loren
t
z-Be
r
the
l
o
t on G
P
U
s
commit
|
commitdiff
|
tree
2016-02-08
Szi
l
árd Páll
Han
d
l
e
uniformly GM
X
_OCL_NOGENCACHE
commit
|
commitdiff
|
tree
2016-01-26
Szilárd
P
áll
GPU
code
r
eorganization and tweaks
commit
|
commitdiff
|
tree
2016-01-20
Sz
i
l
á
r
d Páll
Merge remote-t
r
ac
k
ing branch 'origin
/
rel
e
as
e
-5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Szilárd Páll
split NBNX
N
CUDA ke
r
nels into
f
our
c
om
p
ila
t
ion
u
n
i
ts
commit
|
commitdiff
|
tree
2015-10-15
Szilárd
P
á
l
l
Add CUDA nvcc >
=
7
.
0
suppor
t
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Pál
l
Correct CUDA vers
i
o
n
com
p
arisons
commit
|
commitdiff
|
tree
2015-05-06
Szilárd Páll
Merge
"Merge release-4
-
6 into re
l
ease-5-0" in
t
o release-5-0
commit
|
commitdiff
|
tree
2015-04-21
Szilá
r
d Páll
Allow
m
a
n
ually setting
ta
r
get GPU
a
rchi
t
ect
u
res
commit
|
commitdiff
|
tree
2015-04-17
S
zilárd Pál
l
define
CUDA ve
r
sion a
n
d texob
j
supp
o
rt in con
f
ig
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilárd Páll
Add kernel and com
p
iler suport
f
or CC 3
.
7 devices
commit
|
commitdiff
|
tree
2014-11-17
Szi
l
á
r
d Páll
Allow increasing CUD
A
thread block
s
i
z
e
commit
|
commitdiff
|
tree
2014-11-17
Szi
l
árd Páll
Add CUDA compiler su
p
p
ort fo
r
CC 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Sz
i
lárd Páll
Start nv
p
r
o
f
profilin
g
at c
o
u
nter reset
commit
|
commitdiff
|
tree
2014-09-26
Szil
á
rd Pál
l
Fix incorrect assertion statement
commit
|
commitdiff
|
tree
2014-09-09
Sz
i
lárd Páll
Fix malformed CUD
A
version macro check
commit
|
commitdiff
|
tree
2014-06-01
Szilárd Páll
Add quot
e
on th
e
kT-kj/m
o
l conversion fac
t
o
r
commit
|
commitdiff
|
tree
2014-03-11
Szi
l
á
rd Páll
Bump
r
e
quired CUDA version to 4
.
0
commit
|
commitdiff
|
tree
2014-01-28
S
z
ilárd Páll
clarified Op
e
nMP
-
related things in mdrun help/man
commit
|
commitdiff
|
tree
2013-11-19
Sz
i
lárd Páll
F
i
x DD lo
a
d
balancing bug with GPU sharing
commit
|
commitdiff
|
tree
2013-05-30
Szilá
r
d
Páll
f
i
x u
n
necessary switch to
p
olling GPU wait
commit
|
commitdiff
|
tree
2013-02-10
Szilárd Páll
use legacy CUDA non-bonded kernels only on Fermi
commit
|
commitdiff
|
tree
2013-01-18
Szilárd
P
áll
fix
OpenMP detection on M
a
c
OS
b
rok
e
n
b
y
a
6fee0b
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Pál
l
ad
d
ed m
i
ssing cle
a
nup of s
o
me
nbnxn_cuda
d
at
a
commit
|
commitdiff
|
tree
2013-01-17
Szilá
r
d Páll
M
erge changes
I
930b316c,Iea4283e0,I103648f8 into release-4-6
commit
|
commitdiff
|
tree
2013-01-17
S
z
ilárd Pá
l
l
u
s
e
the c
o
m
pi
l
er version prov
i
d
e
d
b
y
CMake >=2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
note the reaso
n
for auto-disa
b
ling GPU supp
o
r
t in CMak
e
commit
|
commitdiff
|
tree
2013-01-17
S
z
i
l
árd
Pál
l
c
larify
w
or
d
ing of GPU
driv
e
r
-
related no
t
e
s
commit
|
commitdiff
|
tree
2013-01-15
Szilárd Páll
d
i
sable OpenMP
with all OS
X gcc 4
.
2-based c
o
m
pilers
commit
|
commitdiff
|
tree
2012-12-19
Szi
l
árd Páll
M
e
rg
e
"Avoid
u
s
ing
undefined
CMake variables" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Pál
l
M
erge "
R
emoved orphan
f
ile" into release-4-6
commit
|
commitdiff
|
tree
2012-12-17
Sz
i
lárd P
á
ll
Merge "red
u
c
ed PLINCS
c
o
m
munication
with H-bond constraints
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Szilárd Páll
M
e
rge chang
e
s I9b865c4c,
I
b709
2
90e in
t
o relea
s
e-4-6
commit
|
commitdiff
|
tree
2012-11-23
Szi
l
árd Pá
l
l
Merge "Updates to
CMake treatment of OpenMP" into rele
a
se-
4
-6
commit
|
commitdiff
|
tree
2012-10-25
Szilárd Páll
fi
x
fals
e
po
s
i
tive gcc 4
.
7 warning in libxdrf
commit
|
commitdiff
|
tree
2012-10-24
Szilárd Páll
enable
GMX_PREFER_STATIC_LIB
S
CMa
k
e option on Mac OS X
commit
|
commitdiff
|
tree
2012-07-03
Szilárd Pá
l
l
Merge "Minor
format
t
ing
an
d
con
s
istency changes to
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
Szilá
r
d Páll
Merge "Fix Clang 3
.
1 comp
i
le error"
commit
|
commitdiff
|
tree
2012-04-26
Szilárd Páll
Merge "fixed initial COM m
o
t
i
on rem
o
v
a
l
w
ith mult
i
ple
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
S
z
ilá
r
d
P
áll
Merge changes If0c2f9d
9
,Ic2a8ad82 int
o
r
elease-4-
5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd Páll
Merge "Ap
p
end all
ICC P
e
rformance
f
lags only
t
o Release
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd P
á
ll
Merge "M
e
rges
in threading br
a
nch
as
one squashed commit
.
.
.
commit
|
commitdiff
|
tree
2011-10-06
Szilárd Páll
M
erge "R
e
mo
v
e
d
d
u
plicat
e
CMake functi
o
nality" into
.
.
.
commit
|
commitdiff
|
tree