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Update to TNG v 1.8.1
2017-11-08
Magnus Lundborg
Up
d
ate to TNG v 1
.
8
.
1
commit
|
commitdiff
|
tree
2017-09-09
Ber
k
Hess
Avo
i
d inf in S
I
MD double sqrt()
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Impr
o
ve CMake implementation f
o
r
G
M
X_
S
I
M
D
commit
|
commitdiff
|
tree
2017-06-29
Teemu M
u
rtola
General
i
ze IForceProvider
commit
|
commitdiff
|
tree
2017-06-15
Sz
i
l
árd Páll
Allow disabl
i
ng the e
x
plicit use of CUDA te
x
tures
commit
|
commitdiff
|
tree
2017-06-14
Mark Abraham
Si
m
pl
i
fy reporting from init_gp
u
commit
|
commitdiff
|
tree
2017-06-13
Erik Lind
a
hl
More quotes
commit
|
commitdiff
|
tree
2017-06-07
V
edran Miletić
D
o
cument float
i
n
g
-
poi
n
t
ari
t
hmetic
commit
|
commitdiff
|
tree
2017-05-29
Szilárd P
á
ll
Qu
o
tes are c
o
ol,
t
ypo-free ones are ev
e
n
"cooler"
commit
|
commitdiff
|
tree
2017-05-27
Mark A
b
r
a
ham
Q
u
otes
from Gottinge
n
w
o
rks
h
op
commit
|
commitdiff
|
tree
2017-05-14
Berk Hess
Fix bugs in double Si
m
d
4
i
mplementation
s
commit
|
commitdiff
|
tree
2017-03-19
Erik Lindahl
U
se Ope
n
MP up to
16 t
h
reads with AMD Ryzen
commit
|
commitdiff
|
tree
2017-03-19
Erik Lind
a
hl
128-bit AVX2 SIMD for AMD Ryzen
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraham
Fix st
r
ing handling for
gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Erik Lindah
l
Fix gc
c
comp
i
les of AVX
-
51
2
S
I
M
D
commit
|
commitdiff
|
tree
2017-02-14
Mark
A
b
raham
F
ix h
a
ndling of previous virials
commit
|
commitdiff
|
tree
2017-02-10
Rol
a
nd Schulz
Remove duplicat
e
AVX
5
12 gather
d
efin
i
t
i
ons
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
R
e
move EST
_
DISTR from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Enhan
c
e warninp
commit
|
commitdiff
|
tree
2017-02-08
Roland S
c
hulz
AVX512
:
Use double-sized gather f
o
r pairs
o
f floats
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
I
n
troduced s
y
stem pre
p
aration sec
t
ion to user guid
e
commit
|
commitdiff
|
tree
2017-02-03
David van der Spoel
Fixes S
E
GV in g
m
x
o
r
der
.
commit
|
commitdiff
|
tree
2017-01-11
Roland Schulz
Tidy:
m
oderniz
e
-use-nullptr
commit
|
commitdiff
|
tree
2016-11-03
Roland Schu
l
z
Supr
e
ss ICC 16 on
W
indo
w
s false post
i
ves
commit
|
commitdiff
|
tree
2016-10-30
Te
e
m
u Murtola
Su
p
p
o
r
t no
r
mal
i
zin
g
values in KeyVa
l
u
e
T
ree
commit
|
commitdiff
|
tree
2016-10-30
Rol
a
nd Schu
l
z
Re
p
l
a
ce
qsort/bsearch with std::sort/lowe
r
_bound
commit
|
commitdiff
|
tree
2016-10-11
Mark Ab
r
ah
a
m
Upd
a
te for
F
FTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-09-26
David
v
a
n
der Sp
o
e
l
Fixes
issue with Release build in correla
t
i
o
n
fu
n
c
tio
n
s
.
commit
|
commitdiff
|
tree
2016-09-18
Rol
a
nd Schulz
Fix math-t
e
st fal
s
e positi
v
e
commit
|
commitdiff
|
tree
2016-09-18
Ro
l
a
n
d Schulz
Be
t
ter
o
pti
m
iz
e
d ICC release flags
commit
|
commitdiff
|
tree
2016-09-12
Mark Ab
r
aham
Pre
l
iminary clean up o
f
NVML
code
commit
|
commitdiff
|
tree
2016-09-12
Berk Hess
Add const to
t
hread
-
MPI fu
n
ctions
commit
|
commitdiff
|
tree
2016-09-12
Vedra
n
M
i
letić
Docu
m
ent wallcycle
c
o
unte
r
s
and
s
u
b
co
u
nters
commit
|
commitdiff
|
tree
2016-09-12
Teemu Murtol
a
Fix various memo
r
y
leaks
commit
|
commitdiff
|
tree
2016-07-31
James
G
raham
A
void bl
a
nk line in
w
riting inde
x
file
commit
|
commitdiff
|
tree
2016-07-30
Rol
a
nd Sc
h
u
l
z
U
pdate
G
CC ver
s
ion for r
e
ference b
u
ild
commit
|
commitdiff
|
tree
2016-07-30
Vedran
Mi
l
et
i
ć
Docu
m
ent g
m
x
_cgso
r
t_t and gmx_domdec_sort_t
s
tructs
commit
|
commitdiff
|
tree
2016-07-08
Er
i
k Linda
h
l
Updat
e
affinity checki
n
g for In
t
e
l
compiler
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
A
d
d
PDF metadata t
o
the manual
commit
|
commitdiff
|
tree
2016-07-07
E
rik Lindahl
Reduce
hwloc & cpuid t
e
st requirements
commit
|
commitdiff
|
tree
2016-07-07
Tee
m
u Murtola
Change hand
l
ing for missing releng docs
commit
|
commitdiff
|
tree
2016-07-07
Szi
l
árd Pál
l
Add user gui
d
e
info on CUDA
application
cloc
k
s
commit
|
commitdiff
|
tree
2016-07-07
M
ark Abraham
Fix build
if
l
i
bcuda is
found
b
u
t
n
vcc is
n
ot
commit
|
commitdiff
|
tree
2016-06-07
Semen Yesylevsky
y
A
dded manual section
a
bout embedding proteins to m
e
mbranes
.
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
Add su
p
por
t
fo
r
CUDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-03
Berk Hess
Ha
n
dle partially fr
o
z
e
n a
n
d constrained atoms
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Add e
n
v
.
var
.
t
o e
n
ab
l
e Op
e
nCL
c
a
chin
g
commit
|
commitdiff
|
tree
2016-06-02
Szilá
r
d P
á
ll
Fix
O
penCL bina
r
y cache file name
generation
commit
|
commitdiff
|
tree
2016-06-02
Ro
l
and Schulz
Fix ICC 16u3 build
commit
|
commitdiff
|
tree
2016-06-02
Patrick Welche
Ens
u
re
IMD
include de
p
endencies work
commit
|
commitdiff
|
tree
2016-05-29
Mark Abr
a
ham
Simplified and updated
O
p
enCL compilation
commit
|
commitdiff
|
tree
2016-05-08
Berk
H
ess
Updat
e
mdru
n
t
e
r
mination
i
nfo
commit
|
commitdiff
|
tree
2016-04-03
Berk Hess
Correct nrdf for 1D/
2
D systems
commit
|
commitdiff
|
tree
2015-09-30
Roland Schulz
Re
q
uire C++11
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
R
e-enable multi-G
P
U s
u
pport in O
p
enC
L
f
o
r
thr
e
a
d
M
P
I
commit
|
commitdiff
|
tree
2015-07-05
Berk H
e
ss
Fix DD DLB s
t
ate issue
commit
|
commitdiff
|
tree