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Change use of t_inpfile to std::vector
2016-04-28
Szilárd Pál
l
W
orkarou
n
d
f
or gcc fa
l
se positive warning
commit
|
commitdiff
|
tree
2016-04-27
Sz
i
lárd Pál
l
Fix mul
t
iple MPI ranks per no
d
e
with OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szi
l
árd Páll
Fix O
p
enCL as
s
ertio
n
commit
|
commitdiff
|
tree
2016-04-19
Szi
l
árd Páll
Move ou
t
CUDA
profile
r
trigg
e
rs
from NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szi
l
árd Páll
Spelling fixe
s
commit
|
commitdiff
|
tree
2016-04-13
S
z
ilárd Páll
Do not create e
m
pty ma
n
/man7 directory
commit
|
commitdiff
|
tree
2016-04-04
S
zilárd Páll
Mark
m
ore
v
ariab
l
es as ad
v
anc
e
d
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
ref
a
cto
r
CUDA
t
e
xture-based table ini
t
i
alization
commit
|
commitdiff
|
tree
2016-03-31
S
zilárd
P
áll
Fix multiple
tMPI ranks p
e
r O
p
enCL device
commit
|
commitdiff
|
tree
2016-03-30
Sz
i
lárd Páll
LJ comb
i
n
ation
rule kernel
s
for
Ope
n
CL
commit
|
commitdiff
|
tree
2016-03-30
S
z
il
á
rd Páll
Re-enable i-at
o
m
ty
p
e local mem prefe
t
ch in OpenC
L
commit
|
commitdiff
|
tree
2016-03-30
Szilárd
Pá
l
l
D
e
scr
i
be
AMD
A
PPSDK 3
.
0 issues in the guide
commit
|
commitdiff
|
tree
2016-03-17
Szilárd Páll
Fi
x
ed O
p
enC
L
e/
f
s
hift clea
r
k
er
n
el first
i
nvocation
commit
|
commitdiff
|
tree
2016-02-26
S
zi
l
árd Páll
F
ix lefto
v
er
l
o
ad()
c
alls in th
e
simd util
headers
commit
|
commitdiff
|
tree
2016-02-19
Szi
l
árd Páll
Fix Op
e
nCL table i
n
terpolati
o
n
s of Ew
a
ld co
r
rection
commit
|
commitdiff
|
tree
2016-02-17
Szil
á
rd Páll
r
eintroduce
super
c
l interaction
m
a
s
k constant
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
ch
a
nge m
a
cros to c
o
nstants in GPU
c
o
de
commit
|
commitdiff
|
tree
2016-02-15
Szilárd P
á
ll
Allow GMX_NB_MIN_CI=0 to
be
passed
commit
|
commitdiff
|
tree
2016-02-11
S
zilárd P
á
ll
Re-enable LJ-PM
E
+ Lorentz
-
B
e
rthelot on GPUs
commit
|
commitdiff
|
tree
2016-02-08
Szilárd Páll
Handle u
n
iformly G
M
X_OC
L
_NOGENCACHE
commit
|
commitdiff
|
tree
2016-01-26
S
zilárd Páll
GPU
c
ode reorganization and twe
a
k
s
commit
|
commitdiff
|
tree
2016-01-20
Szilárd Páll
M
e
rge remote-
t
racking bran
c
h 'origin/
r
elease
-
5-
1
'
into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Szilárd Páll
s
p
lit NBNXN
C
UDA kernels i
n
to four compilation units
commit
|
commitdiff
|
tree
2015-10-15
Szi
l
árd Páll
Add CUDA nvcc
>
=7
.
0 support
commit
|
commitdiff
|
tree
2015-10-15
Szilárd P
á
ll
Correct
CUD
A
v
e
rsion
comparisons
commit
|
commitdiff
|
tree
2015-05-06
S
zilá
r
d P
á
ll
M
e
rge "Merge release
-
4-6 i
n
to
release-5-0" into
r
e
lease-5-0
commit
|
commitdiff
|
tree
2015-04-21
Szi
l
árd Páll
A
ll
o
w man
u
al
l
y setting
t
a
r
g
et G
P
U ar
c
hitec
t
u
r
es
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
define CUDA ver
s
ion and te
x
o
b
j support
i
n
c
o
nfig
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilárd Páll
Add ke
r
nel and compiler suport for
CC
3
.
7 d
e
vices
commit
|
commitdiff
|
tree
2014-11-17
Szilárd Pál
l
Allo
w
i
n
creasing CUD
A
thread bl
o
ck
size
commit
|
commitdiff
|
tree
2014-11-17
S
z
ilárd P
á
ll
Add
CU
D
A compiler
s
u
pport fo
r
CC 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Szilárd Páll
Start n
v
prof
p
rofilin
g
at counter reset
commit
|
commitdiff
|
tree
2014-09-26
Sz
i
l
á
rd Páll
Fix incorrec
t
asserti
o
n
statement
commit
|
commitdiff
|
tree
2014-09-09
Szilárd
Páll
Fi
x
m
a
lformed CUDA versi
o
n
m
acr
o
check
commit
|
commitdiff
|
tree
2014-06-01
S
zil
á
rd Páll
Add
q
uo
t
e on the kT-kj/mol conversi
o
n
f
act
o
r
commit
|
commitdiff
|
tree
2014-03-11
Szi
l
ár
d
P
áll
Bu
m
p
r
equir
e
d
CUD
A
version to 4
.
0
commit
|
commitdiff
|
tree
2014-01-28
Szilárd Páll
clari
f
ied Ope
n
MP-related
things in mdru
n
help/m
a
n
commit
|
commitdiff
|
tree
2013-11-19
Szilárd Páll
Fix DD load balancin
g
b
ug
with GPU
s
har
i
ng
commit
|
commitdiff
|
tree
2013-05-30
Szil
á
r
d
Páll
fix unne
c
essary switch to
pollin
g
GPU wait
commit
|
commitdiff
|
tree
2013-02-10
Szilá
r
d
Páll
use
l
eg
a
c
y CUDA non-bonded
k
e
rnels only on Fermi
commit
|
commitdiff
|
tree
2013-01-18
Szilá
r
d Pá
l
l
f
i
x Ope
n
M
P
d
e
tection on
M
a
c
OS b
r
oken b
y
a6fee0b
commit
|
commitdiff
|
tree
2013-01-17
Szil
á
r
d Páll
added m
i
ssing cleanup of some nbn
x
n
_cud
a
data
commit
|
commitdiff
|
tree
2013-01-17
S
zilárd Pá
l
l
Merg
e
changes
I
9
30b3
1
6
c
,Iea4283e0,I1036
4
8
f
8 int
o
release-4
-
6
commit
|
commitdiff
|
tree
2013-01-17
Szilárd
Páll
u
se the compiler version provid
e
d by
C
Mak
e
>
=
2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
note the reason for
auto-disabling GPU support in CM
a
ke
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
clar
i
fy word
i
ng of GPU dr
i
ver
-
r
e
lated notes
commit
|
commitdiff
|
tree
2013-01-15
Szilárd Páll
d
isable Op
e
n
MP with
a
ll OS X
gcc 4
.
2-based compilers
commit
|
commitdiff
|
tree
2012-12-19
Szilárd P
á
ll
Me
r
g
e
"Avoid using u
n
defi
n
ed CMake variables" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Páll
Merge "Remo
v
ed o
r
p
h
an f
i
le" into r
e
lease-
4
-6
commit
|
commitdiff
|
tree
2012-12-17
S
zilárd Páll
Mer
g
e "reduced
PLINCS communi
c
ation with H-bond constraint
s
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Szilárd Pál
l
M
e
rge
c
h
a
nges I9b865c4c
,
Ib709290e i
n
to release-4-6
commit
|
commitdiff
|
tree
2012-11-23
Szilárd Páll
Merge "
U
pdates to
CMake
treatment of OpenM
P
"
i
nto releas
e
-4-
6
commit
|
commitdiff
|
tree
2012-10-25
Szilárd Pál
l
f
i
x false positive gcc 4
.
7 war
n
ing in
libxdrf
commit
|
commitdiff
|
tree
2012-10-24
Szilárd Páll
enable GMX_
P
REFER_ST
A
TIC_L
I
B
S
CMa
k
e option on
M
ac OS X
commit
|
commitdiff
|
tree
2012-07-03
Szilá
r
d Páll
Mer
g
e "Minor formatt
i
ng and c
o
nsistency changes to
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
S
z
i
lárd Páll
Merge "Fix Clang 3
.
1 compile error"
commit
|
commitdiff
|
tree
2012-04-26
S
z
i
lárd
Páll
Merge "fixed i
n
itial
C
OM moti
o
n
re
m
oval with mul
t
iple
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
Szilárd Páll
Merge
c
hanges
I
f0c
2
f9d9
,
Ic2a8ad82 into release-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilá
r
d P
á
ll
M
erge "Append all ICC P
e
rforma
n
ce flags onl
y
to Relea
s
e
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
S
zilárd
Páll
Merge "Merges i
n
thr
e
ading bran
c
h as one squa
s
h
ed commit
.
.
.
commit
|
commitdiff
|
tree
2011-10-06
Szilárd Páll
Me
r
ge "
R
emoved du
p
licate CMake funct
i
onality"
i
nto
.
.
.
commit
|
commitdiff
|
tree