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Remove leftover function declaration
2017-08-29
Aleksei Iupinov
Remove le
f
tove
r
function
declaration
commit
|
commitdiff
|
tree
2017-08-29
Roland Sch
u
lz
Enable missin
g
declaratio
n
s w
a
rning
commit
|
commitdiff
|
tree
2017-08-28
Rol
a
nd S
c
hulz
Enable unused fun
c
tion warning
commit
|
commitdiff
|
tree
2017-08-28
Erik Lindah
l
Improved SIMD t
e
s
t
data
t
o use
all
b
its
commit
|
commitdiff
|
tree
2017-06-28
Rola
n
d Schulz
Merge "Mer
g
e
b
r
anch release-2
0
16"
commit
|
commitdiff
|
tree
2017-06-28
Roland Sc
h
ulz
Fi
x
I
C
C worka
r
ound for C++11 feature ch
e
c
k
commit
|
commitdiff
|
tree
2017-06-27
R
o
land Schu
l
z
M
erge b
r
anch release-
2
016
commit
|
commitdiff
|
tree
2017-05-11
Roland Schulz
Re
m
ove stat
i
c-intel from
default flags
commit
|
commitdiff
|
tree
2017-05-01
David van d
e
r Spoel
Xpm te
s
t for gmx clustsize
commit
|
commitdiff
|
tree
2017-04-17
Erik Lindahl
Fixed AVX-5
1
2F
c
ompil
e
r flags
commit
|
commitdiff
|
tree
2017-04-10
Vedr
a
n Miletić
Really enable
a
vx512
i
n fftw only for select compilers
commit
|
commitdiff
|
tree
2017-02-25
Michael Shirts
Fix f
o
r an incorrect c
h
eck
that nstlog !=0
commit
|
commitdiff
|
tree
2017-02-23
Roland
Sch
u
l
z
Fix compile of GMX_SIMD=None with ICC
commit
|
commitdiff
|
tree
2017-01-13
R
o
land Schulz
Enable uncrus
t
ify fo
r
template
commit
|
commitdiff
|
tree
2017-01-10
Rolan
d
Schulz
Fix AVX5
1
2 issues in
debug mode
commit
|
commitdiff
|
tree
2017-01-05
Roland
S
chu
l
z
Supress ICC 16
on Windows false
p
osti
v
e
s
commit
|
commitdiff
|
tree
2017-01-05
Roland Schulz
Fix
c
opyright
year of previo
u
s c
o
mmit
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Improve buil
d
s
yste
m
for plugin support
commit
|
commitdiff
|
tree
2016-12-15
M
.
Eric Irrgang
Fi
x
s
y
ntax
in cmak
e
status mes
s
age
commit
|
commitdiff
|
tree
2016-12-15
Roland Schulz
Add create_u
n
ique_w
i
t
h_deleter
commit
|
commitdiff
|
tree
2016-12-15
Roland Schul
z
Rep
l
ace
s
co
p
ed_cptr with uniq
u
e
_cptr
commit
|
commitdiff
|
tree
2016-12-15
Vedran Miletić
I
mprove include sor
t
er error reporting
commit
|
commitdiff
|
tree
2016-12-15
Mark
A
br
a
ham
R
e
m
o
ved
support for
m
u
lti
p
le entrie
s
in
m
d
p file
s
commit
|
commitdiff
|
tree
2016-12-15
Mar
k
Abrah
a
m
H
a
nd
l
e warn
i
np
correctly in
x
p
m
2p
s
and m
e
m
bed
commit
|
commitdiff
|
tree
2016-11-23
Ma
r
k A
b
raham
Stop i
n
cluding tng_io
_
f
w
d
.
h
commit
|
commitdiff
|
tree
2016-10-21
Rol
a
n
d Schulz
S
u
p
pre
s
s cppcheck warning
commit
|
commitdiff
|
tree
2016-10-17
Teemu Mur
t
ola
Support option a
s
signment from differ
e
nt p
r
ecision
commit
|
commitdiff
|
tree
2016-10-17
Tee
m
u
M
ur
t
ola
Add sup
p
ort fo
r
r
e
ad
i
n
g
va
l
ues from
refdata
commit
|
commitdiff
|
tree
2016-08-24
Ro
l
and Schulz
Rem
o
ve unnece
s
sary I
C
C w
a
rning su
p
p
r
ess
i
on
commit
|
commitdiff
|
tree
2016-07-23
Rolan
d
S
chulz
Merge
r
e
lease-
2
016 into master
commit
|
commitdiff
|
tree
2016-07-18
Roland Sc
h
ulz
Fix non-parallel build
commit
|
commitdiff
|
tree
2016-05-27
Erik Lindahl
Detec
t
the usage of hwtop
X
ML cac
h
ing
commit
|
commitdiff
|
tree
2016-04-28
Rola
n
d
S
ch
u
lz
Merg
e
"
Merge branch release
-
5-1"
commit
|
commitdiff
|
tree
2016-04-18
Teemu Mur
t
o
l
a
M
a
k
e t
h
re
a
d affini
t
y failu
r
es alway
s
end up in log
commit
|
commitdiff
|
tree
2016-04-18
Mark Abraham
Reduce compil
a
tion coupling of SIMD
module
commit
|
commitdiff
|
tree
2016-04-15
Ro
l
and Schu
l
z
F
i
x
A
VX512 suggestion
commit
|
commitdiff
|
tree
2016-04-04
Erik Lindahl
Fi
x
hwloc
n
arrowing w
a
rni
n
g on 32-bit arc
h
it
e
ctures
commit
|
commitdiff
|
tree
2016-03-26
B
erk Hess
A
dd real/
S
I
MD template for LJ
-
14
pairs
commit
|
commitdiff
|
tree
2016-03-10
Roland Schulz
Improve
AVX512
commit
|
commitdiff
|
tree
2016-03-03
Berk Hes
s
U
se SIMD
t
ranspose scat
t
er in bonded
s
commit
|
commitdiff
|
tree
2016-01-10
Te
e
mu Murtola
Mor
e
config
.
h macros
t
o
0
/
1
commit
|
commitdiff
|
tree
2015-09-23
Roland Schulz
Bum
p
re
q
uired CUDA v
e
r
sion from 4
.
0+
to
5
.
0+
commit
|
commitdiff
|
tree
2015-08-07
Roland S
c
hulz
Fix missing include
commit
|
commitdiff
|
tree
2015-07-31
David van d
e
r Spo
e
l
Chan
g
e
initial param
e
ters for te
s
ting
expfit
.
commit
|
commitdiff
|
tree
2015-07-18
Tee
m
u Murtola
Mo
v
e
Options:
:
setDescription() e
l
sewher
e
commit
|
commitdiff
|
tree
2015-07-11
Roland Sc
h
ulz
Update kernel t
e
mplates
t
o match k
e
rnels
commit
|
commitdiff
|
tree
2015-07-09
Rolan
d
Sc
h
ulz
New
q
u
o
t
es
commit
|
commitdiff
|
tree
2015-07-08
Rolan
d
Schulz
Mer
g
e rel
e
a
s
e-
5
-1 into master
commit
|
commitdiff
|
tree
2015-07-08
Roland
Schu
l
z
M
erge release-5-0
i
nto rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-07-08
Roland Schulz
M
e
rge rele
a
s
e
-
4
-
6
into release-5-0
commit
|
commitdiff
|
tree
2015-06-19
Roland Schu
l
z
Fix missing include
commit
|
commitdiff
|
tree
2015-06-16
Rol
a
nd Schulz
Fix consts
i
n bon
d
ed and clin
c
s
commit
|
commitdiff
|
tree
2015-06-14
Berk Hess
R
e
factor
e
d mdrun resource division
commit
|
commitdiff
|
tree
2015-06-12
Te
e
mu
M
urtola
Extend source la
y
out descri
p
ti
o
n
i
n
dev guide
commit
|
commitdiff
|
tree
2015-06-05
R
o
la
n
d Schulz
Merge
r
elease-5-0 into master
commit
|
commitdiff
|
tree
2015-05-30
Rola
n
d Schulz
Work
-
around
for ICC 15 on Phi
commit
|
commitdiff
|
tree
2015-05-26
Ro
l
and Sc
h
u
lz
Don't set
C
FLAGS for
Phi
i
n to
o
lchain
commit
|
commitdiff
|
tree
2015-03-17
Rol
a
nd Schulz
Fix linking wit
h
static libxm
l
2
commit
|
commitdiff
|
tree
2015-02-13
Te
e
mu Murtola
Gene
r
ate ma
n
pages
thr
o
ugh Sphinx
commit
|
commitdiff
|
tree
2015-02-13
Teem
u
Murtol
a
Replace tool
H
T
M
L
he
l
p with Sphinx-generated d
o
cs
commit
|
commitdiff
|
tree
2015-02-12
Rol
a
nd
S
ch
u
lz
M
erge release-5
-
0 into master
commit
|
commitdiff
|
tree
2015-02-12
Roland Schulz
Merge rele
a
se-
4
-
6
i
n
t
o rele
a
s
e-5
-
0
commit
|
commitdiff
|
tree
2015-01-27
R
oland Schu
l
z
Work
a
round for MemorySa
n
itizer
commit
|
commitdiff
|
tree
2015-01-27
Rolan
d
Schulz
Fix uni
t
lized memory read in
c
hec
k
point
commit
|
commitdiff
|
tree
2014-12-18
Roland Schulz
F
ix
C
MP0054 cmake 3
.
1
.
0
war
n
ings
commit
|
commitdiff
|
tree
2014-12-12
Mark Abraham
Add Strin
g
Formatt
e
r and
forma
t
AndJoin t
o
stringut
i
l
commit
|
commitdiff
|
tree
2014-12-07
Rolan
d
Schulz
Me
r
ge release-
5
-
0
i
nto
m
aste
r
commit
|
commitdiff
|
tree
2014-11-26
Ro
l
and Schulz
F
ix cl
a
ng
with bo
o
st
1
.
46
.
1 and
1
.
4
7
commit
|
commitdiff
|
tree
2014-11-09
Viveca
Lind
a
hl
Fixed typo
i
n
cmake
warning
.
commit
|
commitdiff
|
tree
2014-11-09
Rola
n
d Schulz
Backport valgrind suppression
commit
|
commitdiff
|
tree
2014-11-05
Roland Sc
h
ulz
Minor update of
boost READ
M
E
commit
|
commitdiff
|
tree
2014-10-20
R
o
la
n
d
Sch
u
lz
Use
d
I
W
Y
U
to partiall
y
clean up so
m
e includes
commit
|
commitdiff
|
tree
2014-10-11
Tee
m
u Murtola
Cl
e
an up gmx insert-molecules
commit
|
commitdiff
|
tree
2014-10-11
Teemu Murtola
Make 'gmx insert
-
molecules
'
tests test o
u
tput
commit
|
commitdiff
|
tree
2014-09-29
Roland Schul
z
Merge
r
el
e
ase-4-6 into release
-
5-0
commit
|
commitdiff
|
tree
2014-09-22
R
ol
a
n
d Schulz
Fix mess
a
ge abo
u
t incorrec
t
usage of dihe
d
ral type 9
commit
|
commitdiff
|
tree
2014-09-21
Roland Sc
h
ulz
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2014-09-17
Rola
n
d Schulz
Me
r
g
e
r
elease-5-
0
into master
commit
|
commitdiff
|
tree
2014-09-17
Ro
l
and Schulz
Remo
v
e no
-
inli
n
e-max-
s
iz
e
and suppres
s
remark
commit
|
commitdiff
|
tree
2014-09-17
Roland Schu
l
z
Valgrind
suppression for O
S
X
1
0
.
9
commit
|
commitdiff
|
tree
2014-09-14
Ro
l
and Schulz
Remove unnecessary cppc
h
e
c
k inclu
d
e-
p
ath
commit
|
commitdiff
|
tree
2014-09-10
Roland Schulz
Merge release-5
-
0 into master
commit
|
commitdiff
|
tree
2014-09-05
R
o
land Schulz
Fix build for exter
n
al
boost 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-05
R
oland
S
chu
l
z
Mer
g
e
rel
e
ase-5-0 into master
commit
|
commitdiff
|
tree
2014-09-03
Rola
n
d Schulz
Merge re
l
ease-5
-
0 into master
commit
|
commitdiff
|
tree
2014-09-03
Roland Schu
l
z
Fix MingW b
u
ild
commit
|
commitdiff
|
tree
2014-08-29
Mark Abraham
Merge branch rel
e
ase-4-6 into
release-5-0
commit
|
commitdiff
|
tree
2014-08-25
Roland Sc
h
ul
z
Merge
release-5-0 into master
commit
|
commitdiff
|
tree
2014-08-24
Teemu
M
urto
l
a
Precalculate
p
b
c
shif
t
fo
r
analysi
s
nbse
a
r
ch
commit
|
commitdiff
|
tree
2014-08-18
Roland
S
c
h
ulz
Fix nbnxn templates
commit
|
commitdiff
|
tree
2014-08-18
R
o
land Sc
h
ulz
Add Intel comma
n
d line wa
r
ning
commit
|
commitdiff
|
tree
2014-08-16
Roland Schulz
Merge release-5-0
in
t
o master
commit
|
commitdiff
|
tree
2014-07-31
Roland S
c
hulz
Mer
g
e
rel
e
a
s
e-5-0 into master
commit
|
commitdiff
|
tree
2014-07-28
Ro
l
a
n
d Schulz
M
erge release-5-0 into
master
commit
|
commitdiff
|
tree
2014-07-23
Rolan
d
Schulz
A
dd
s
u
pport for int64 in refdata
commit
|
commitdiff
|
tree
2014-07-22
Roland Schulz
F
i
x
G
MX_BUILD_O
W
N
_FFT
W
for Cygwin
commit
|
commitdiff
|
tree
2014-07-10
R
o
land
S
c
hu
l
z
Fix xml2 link
c
heck rerun
commit
|
commitdiff
|
tree
2014-07-09
Mark Abraham
Na
m
e th
e
tarball how we like it
commit
|
commitdiff
|
tree
2014-07-01
Rola
n
d Schulz
A
dd support f
o
r int64 in r
e
fdata
commit
|
commitdiff
|
tree
2014-06-29
Roland Schulz
Me
r
ge
release-4-6 into release-
5
-0
commit
|
commitdiff
|
tree
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