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Reduce compilation coupling of SIMD module
2016-04-18
Mar
k
Abraham
Reduce compilation coupling
o
f SIMD module
commit
|
commitdiff
|
tree
2016-04-15
Roland
S
c
hul
z
Fix AVX512 suggesti
o
n
commit
|
commitdiff
|
tree
2016-04-04
Er
i
k Lindahl
Fix
h
wloc nar
r
owing
w
arning on
32-bit archite
c
tures
commit
|
commitdiff
|
tree
2016-03-26
Berk Hess
Add rea
l
/SIM
D
template for LJ-1
4
pairs
commit
|
commitdiff
|
tree
2016-03-10
Ro
l
and Schu
l
z
Improve A
V
X512
commit
|
commitdiff
|
tree
2016-03-03
Berk Hes
s
Use SIMD
t
ranspose
s
catter i
n
bo
n
deds
commit
|
commitdiff
|
tree
2016-01-10
T
e
emu Murtola
M
ore config
.
h mac
r
os to
0
/1
commit
|
commitdiff
|
tree
2015-09-23
Rola
n
d Schulz
Bump re
q
uired CUDA version fr
o
m 4
.
0
+ to 5
.
0+
commit
|
commitdiff
|
tree
2015-08-07
R
oland S
c
hulz
F
ix mi
s
sing
i
n
c
lude
commit
|
commitdiff
|
tree
2015-07-31
David van der Spo
e
l
Change in
i
tial
parameters for testing expfit
.
commit
|
commitdiff
|
tree
2015-07-18
T
eemu Murto
l
a
Move Opt
i
ons
:
:
setDescription() el
s
ewhere
commit
|
commitdiff
|
tree
2015-07-11
Roland Sch
u
l
z
U
p
date kerne
l
templates to
m
atch k
e
rnels
commit
|
commitdiff
|
tree
2015-07-09
R
oland Schulz
New
q
uotes
commit
|
commitdiff
|
tree
2015-07-08
Roland Schulz
M
erge rel
e
ase-5-1 into master
commit
|
commitdiff
|
tree
2015-07-08
Roland
S
chulz
M
e
rge rel
e
as
e
-5
-
0
into release-5-1
commit
|
commitdiff
|
tree
2015-07-08
Roland Schulz
Merge release-4
-
6 into release
-
5-0
commit
|
commitdiff
|
tree
2015-06-19
Rolan
d
Schulz
Fix missing
i
nclude
commit
|
commitdiff
|
tree
2015-06-16
R
oland Sch
u
lz
F
ix
c
onsts
i
n b
o
nd
e
d
a
nd clin
c
s
commit
|
commitdiff
|
tree
2015-06-14
B
e
rk
Hes
s
Refactored m
d
r
u
n
resource division
commit
|
commitdiff
|
tree
2015-06-12
Teemu Mur
t
ola
Ex
t
end source layout d
e
s
c
r
iption in dev guide
commit
|
commitdiff
|
tree
2015-06-05
Roland Schulz
Me
r
ge
r
elease-5-
0
i
nto master
commit
|
commitdiff
|
tree
2015-05-30
Roland
S
chul
z
W
o
rk-around
for ICC 15
o
n
Phi
commit
|
commitdiff
|
tree
2015-05-26
R
o
l
a
nd
S
chulz
D
o
n't set CF
L
AGS for Phi in toolchain
commit
|
commitdiff
|
tree
2015-03-17
Roland Schu
l
z
F
ix li
n
king with
s
tatic li
b
xml2
commit
|
commitdiff
|
tree
2015-02-13
T
e
emu
M
urtola
Gen
e
r
ate ma
n
pages th
r
ough Sphin
x
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replac
e
too
l
HTML h
e
lp with Sphinx-generated doc
s
commit
|
commitdiff
|
tree
2015-02-12
Roland Schulz
Merge
r
e
lease-
5
-0
i
n
to master
commit
|
commitdiff
|
tree
2015-02-12
Roland
S
ch
u
lz
Merge release-4-6 in
t
o release-5-0
commit
|
commitdiff
|
tree
2015-01-27
Roland S
c
hulz
Workaround
f
or Memo
r
ySanitizer
commit
|
commitdiff
|
tree
2015-01-27
Roland Schulz
F
ix
unitlized mem
o
ry read in check
p
o
i
nt
commit
|
commitdiff
|
tree
2014-12-18
R
o
land Schulz
Fi
x
CMP0054 cma
k
e 3
.
1
.
0 w
a
rnings
commit
|
commitdiff
|
tree
2014-12-12
Mar
k
Abraham
A
d
d StringFormatt
e
r an
d
f
ormatAndJoin
t
o
st
r
ingutil
commit
|
commitdiff
|
tree
2014-12-07
Roland
S
chulz
Merge release-5-0 into ma
s
ter
commit
|
commitdiff
|
tree
2014-11-26
R
oland Schu
l
z
Fix cla
n
g with boost 1
.
46
.
1 a
n
d 1
.
47
commit
|
commitdiff
|
tree
2014-11-09
Viveca Lind
a
h
l
Fixed typo in cmake warning
.
commit
|
commitdiff
|
tree
2014-11-09
Roland S
c
hulz
B
ac
k
port va
l
g
r
i
nd suppression
commit
|
commitdiff
|
tree
2014-11-05
R
o
land Sc
h
u
l
z
Minor update of bo
o
st READ
M
E
commit
|
commitdiff
|
tree
2014-10-20
Roland
Sc
h
u
l
z
U
sed IW
Y
U to partially
clean
up
some
i
ncludes
commit
|
commitdiff
|
tree
2014-10-11
T
e
emu Murto
l
a
C
l
ean up
gmx insert-molecules
commit
|
commitdiff
|
tree
2014-10-11
Teemu Murtola
Make 'gmx insert-molecules' tests test outp
u
t
commit
|
commitdiff
|
tree
2014-09-29
Rol
a
n
d Sc
h
u
lz
Merge release-4-6
i
nto rel
e
ase-
5
-0
commit
|
commitdiff
|
tree
2014-09-22
Roland Schulz
Fix messa
g
e about
i
ncor
r
e
c
t
usage of
dih
e
dra
l
type
9
commit
|
commitdiff
|
tree
2014-09-21
Roland Schulz
Merge release-5
-
0 into master
commit
|
commitdiff
|
tree
2014-09-17
R
o
land Schulz
Merge release-5-0 int
o
mast
e
r
commit
|
commitdiff
|
tree
2014-09-17
Rolan
d
Sc
h
ulz
R
emove no
-
in
l
ine-max-size and
s
u
p
press rem
a
rk
commit
|
commitdiff
|
tree
2014-09-17
Ro
l
and
S
chulz
Val
g
r
i
nd suppre
s
sion fo
r
O
S
X 10
.
9
commit
|
commitdiff
|
tree
2014-09-14
Rol
a
nd
S
ch
u
lz
R
emove unnecessary c
p
pcheck include-p
a
th
commit
|
commitdiff
|
tree
2014-09-10
Roland Schulz
Merge release-5-0
i
nto master
commit
|
commitdiff
|
tree
2014-09-05
Roland S
c
h
ulz
Fix buil
d
for ex
t
e
r
nal
b
o
ost
1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-05
Roland Schulz
Merge r
e
le
a
se
-
5-0 into
master
commit
|
commitdiff
|
tree
2014-09-03
Roland Schulz
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2014-09-03
Roland Schulz
Fix MingW build
commit
|
commitdiff
|
tree
2014-08-29
Mark Abraham
M
e
rge bra
n
ch re
l
ease-4-6 into releas
e
-
5
-0
commit
|
commitdiff
|
tree
2014-08-25
Ro
l
and Sch
u
l
z
Merge releas
e
-5-0 into mast
e
r
commit
|
commitdiff
|
tree
2014-08-24
Teemu
M
u
rtol
a
Precalculate
p
b
c shift for an
a
lysis
nbsearch
commit
|
commitdiff
|
tree
2014-08-18
Roland S
c
h
ulz
Fix
nbn
x
n templa
t
es
commit
|
commitdiff
|
tree
2014-08-18
Roland Schu
l
z
Add Inte
l
command
l
in
e
war
n
ing
commit
|
commitdiff
|
tree
2014-08-16
R
o
land
S
chu
l
z
M
e
r
g
e rel
e
ase-5-0 into master
commit
|
commitdiff
|
tree
2014-07-31
Roland Schulz
M
e
rge rel
e
a
se-5-0 into
master
commit
|
commitdiff
|
tree
2014-07-28
Roland Schulz
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2014-07-23
R
o
land S
c
hulz
Add support for
int64 in refdata
commit
|
commitdiff
|
tree
2014-07-22
R
ol
a
nd Schulz
Fix
G
MX_BUIL
D
_OWN_FFT
W
for Cy
g
win
commit
|
commitdiff
|
tree
2014-07-10
Roland Schulz
Fix xml2 link chec
k
r
erun
commit
|
commitdiff
|
tree
2014-07-09
Mark Abra
h
am
N
a
me
the tarball
how
we
l
i
k
e it
commit
|
commitdiff
|
tree
2014-07-01
Roland Schulz
Add
s
upport for int64 in refdata
commit
|
commitdiff
|
tree
2014-06-29
Roland Schulz
Merg
e
rel
e
a
s
e-4-6 i
n
to rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-06-28
Roland S
c
h
ulz
Merge
release-5-0
i
nto
master
commit
|
commitdiff
|
tree
2014-06-28
Roland
Schulz
Anoth
e
r MacOS
X
r
path fix
commit
|
commitdiff
|
tree
2014-06-27
Ro
l
and Schulz
Merge release-
4
-
6 i
n
to release-5-
0
commit
|
commitdiff
|
tree
2014-06-26
Rol
a
nd Schulz
Fix Visu
a
l Studio Project build
commit
|
commitdiff
|
tree
2014-06-26
Roland Schulz
Fix MacOSX rp
a
th
commit
|
commitdiff
|
tree
2014-06-22
Ross
e
n Apostol
o
v
More clear mess
a
ge
f
or
undefined pullgroups
.
commit
|
commitdiff
|
tree
2014-06-20
Roland Schulz
F
i
x that se
e
king w
a
s wrong if frame time was modi
f
ie
d
commit
|
commitdiff
|
tree
2014-06-19
Roland Sc
h
ulz
Merge
re
l
ease-5-0 int
o
m
aster
commit
|
commitdiff
|
tree
2014-06-19
Roland
Schulz
D
isable maybe-uni
n
iti
a
l
i
z
e
d w
a
rnin
g
commit
|
commitdiff
|
tree
2014-06-18
Roland
Schu
l
z
Add ASAN build confi
g
uration
commit
|
commitdiff
|
tree
2014-06-18
Rolan
d
Schulz
Merge release-
5
-0
into m
a
ste
r
commit
|
commitdiff
|
tree
2014-06-07
D
a
vid van
der Spoel
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2014-06-06
Mark Abraham
Merge release-4
-
6 in
t
o release-5-0
commit
|
commitdiff
|
tree
2014-06-03
R
o
land Sc
h
ulz
Merge
release-
5
-0 into
master
commit
|
commitdiff
|
tree
2014-05-27
Roland
S
chulz
Mer
g
e rele
a
se-5-
0
into
m
aster
commit
|
commitdiff
|
tree
2014-05-24
T
e
emu
Murtola
Move types/atom
s
.
h to topology/
commit
|
commitdiff
|
tree
2014-05-24
Teemu
Mu
r
tol
a
M
o
ve typ
e
s
/
ishift
.
h to pbcuti
l
/
commit
|
commitdiff
|
tree
2014-05-24
Teemu
M
urtola
Mo
v
e inv
b
lock
.
* to top
o
logy/
commit
|
commitdiff
|
tree
2014-05-24
Teemu
M
u
rtola
Move types
/
b
l
ock
.
h
t
o
topology/
commit
|
commitdiff
|
tree
2014-05-24
Teemu
Mur
t
ola
Move symtab
.
* to
t
o
pology/
commit
|
commitdiff
|
tree
2014-05-24
Te
e
mu Murto
l
a
M
e
rge t_symtab into symt
a
b
.
h
commit
|
commitdiff
|
tree
2014-05-22
Rol
a
nd Sc
h
u
l
z
Fix m
e
mory issu
e
in solvate
commit
|
commitdiff
|
tree
2014-05-22
R
oland S
c
h
ulz
Add
A
SAN bui
l
d
configuration
commit
|
commitdiff
|
tree
2014-05-10
Roland Schulz
Merge release-5-
0
int
o
ma
s
ter
commit
|
commitdiff
|
tree
2014-05-10
R
oland
S
c
hulz
Merge re
l
ease-4-6 into releas
e
-
5
-0
commit
|
commitdiff
|
tree
2014-05-09
Roland Schulz
Fix GCC 4
.
9 warnings
commit
|
commitdiff
|
tree
2014-05-09
Roland Schulz
F
ix OpenMP
unproteced u
p
d
a
te bug
commit
|
commitdiff
|
tree
2014-05-09
Rola
n
d
Sc
h
ulz
Fix GCC
4
.
8 warnings
commit
|
commitdiff
|
tree
2014-04-30
Roland Schulz
Fix
usage of gmx_
e
of
commit
|
commitdiff
|
tree
2014-04-28
Teem
u
Murtola
Move mtxio
.
* to fileio/
commit
|
commitdiff
|
tree
2014-04-28
Roland
S
chulz
Reduced usage of ty
p
de
f
s
.
h
commit
|
commitdiff
|
tree
2014-04-27
T
eemu
Murtola
Move rvec and
friends to math/vectype
s
.
h
commit
|
commitdiff
|
tree
2014-04-22
Roland Schulz
F
ix m
e
m
o
ry erro
r
in asc format IO
commit
|
commitdiff
|
tree
2014-04-20
Roland
Schulz
Mo
v
e
p
a
rt of macros
.
h to gro
m
pp-impl
.
h
commit
|
commitdiff
|
tree
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