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Fix GMX_ALIGNMENT for MSVC 2012 and 2013
2015-06-22
Roland
S
chulz
Fix GM
X
_
ALIG
N
MENT
f
or MSVC 201
2
an
d
2013
commit
|
commitdiff
|
tree
2015-06-22
Roland Schulz
Fix cmake 3
.
1 warn
i
ngs with MSVC
commit
|
commitdiff
|
tree
2015-06-19
Roland Schulz
Fix missin
g
i
n
clude
commit
|
commitdiff
|
tree
2015-06-16
R
o
land Schulz
Fix warn
i
ng in
u
ncrustify
commit
|
commitdiff
|
tree
2015-06-16
Roland Sc
h
ulz
F
i
x co
n
sts
i
n
bonded and clinc
s
commit
|
commitdiff
|
tree
2015-06-05
R
oland Sc
h
u
lz
Merge
r
elease-5-0 into
m
a
ster
commit
|
commitdiff
|
tree
2015-06-05
Roland Schulz
R
e
enab
l
e lincs/bonded SIMD for ICC o
n
Windows
commit
|
commitdiff
|
tree
2015-06-03
R
o
l
and Sc
h
ulz
Use stack b
u
f
f
er
for
L
INCS&bonded gather/sca
t
ter
commit
|
commitdiff
|
tree
2015-05-30
Rol
a
n
d Schulz
Work-around for ICC 15
on Phi
commit
|
commitdiff
|
tree
2015-05-26
R
o
l
a
n
d
Schu
l
z
Don
'
t set
C
FLAGS for Phi in to
o
l
chain
commit
|
commitdiff
|
tree
2015-05-13
Roland Sch
u
lz
Facilitate link
i
ng of
static binaries
commit
|
commitdiff
|
tree
2015-03-17
Rola
n
d Schulz
Fi
x
linking
with sta
t
i
c
l
ibxml2
commit
|
commitdiff
|
tree
2015-03-04
R
oland Schulz
Fix GCC5 war
n
i
ngs
commit
|
commitdiff
|
tree
2015-03-03
Roland
Schulz
nbnxn
util
s
performanc
e
i
mprovement for Phi
commit
|
commitdiff
|
tree
2015-03-02
Rola
n
d Sch
u
lz
Don't search install
a
tion prefix i
f
binary is not found
commit
|
commitdiff
|
tree
2015-02-25
R
oland S
c
hulz
C
+
+
conversion for PME s
p
read/ga
t
h
e
r
commit
|
commitdiff
|
tree
2015-02-12
R
o
land Schulz
M
erg
e
release-5-0 into
m
as
t
er
commit
|
commitdiff
|
tree
2015-02-12
Roland Schulz
Merge
r
elease-4-6 int
o
release-
5
-0
commit
|
commitdiff
|
tree
2015-02-10
Roland Schulz
Don't
set CFLAGS for
Ph
i
i
n toolchain
commit
|
commitdiff
|
tree
2015-02-10
Roland
Schulz
W
o
rk-
a
ro
u
nd for ICC 15
o
n
Phi
commit
|
commitdiff
|
tree
2015-02-07
Rola
n
d Schulz
Make FindBoost qui
t
e
commit
|
commitdiff
|
tree
2015-02-02
Rol
a
n
d
Schulz
Fix FP
exception
i
n FE
commit
|
commitdiff
|
tree
2015-01-27
Rola
n
d Schul
z
Workaround for MemorySa
n
itiz
e
r
commit
|
commitdiff
|
tree
2015-01-27
Ro
l
an
d
Sc
h
ulz
Fix uni
t
lized memory rea
d
in checkpoint
commit
|
commitdiff
|
tree
2015-01-05
Roland Schulz
E
n
abl
e
f
p
-
e
xcep
t
i
ons
commit
|
commitdiff
|
tree
2014-12-18
R
o
land
S
chulz
Fix CMP
0
054 cmake 3
.
1
.
0
warnin
g
s
commit
|
commitdiff
|
tree
2014-12-17
R
o
l
and Schulz
Merge "
M
erge bran
c
h 'r
e
le
a
se-5-0
'
"
commit
|
commitdiff
|
tree
2014-12-17
Roland Schulz
Fix cppchec
k
-1
.
6
7
warnings
commit
|
commitdiff
|
tree
2014-12-15
Roland Schulz
Fix NVML detection on Windows
commit
|
commitdiff
|
tree
2014-12-13
Roland S
c
hulz
Use b
i
t
m
a
sk for b
o
n
d
ed
commit
|
commitdiff
|
tree
2014-12-07
Roland Schu
l
z
Merge rel
e
a
se-5-
0
i
n
to maste
r
commit
|
commitdiff
|
tree
2014-11-26
Roland Schulz
Fix clang
with boost 1
.
46
.
1 and 1
.
47
commit
|
commitdiff
|
tree
2014-11-26
Roland Sch
u
lz
M
erge
r
e
l
ease-5-0 i
n
to master
commit
|
commitdiff
|
tree
2014-11-23
Roland
Schul
z
Set GM
X
_
S
IMD
to M
I
C for Xeon Ph
i
commit
|
commitdiff
|
tree
2014-11-12
Roland Schu
l
z
Use stat to
c
heck tha
t
p
at
h
s are equivalent
commit
|
commitdiff
|
tree
2014-11-12
Ro
l
an
d
S
chulz
Ad
d
b
i
tmask
type
commit
|
commitdiff
|
tree
2014-11-09
Rolan
d
Schulz
Ba
c
kport valgrin
d
su
p
pression
commit
|
commitdiff
|
tree
2014-11-09
Roland Schulz
Fix C
M
P
0
054 cmake 3
.
1
.
0 warnings
commit
|
commitdiff
|
tree
2014-11-05
Roland Sch
u
lz
Mino
r
update
of
boost README
commit
|
commitdiff
|
tree
2014-10-30
Rol
a
n
d Schulz
Merge
"Merge rel
e
ase-5-0
into m
a
ster"
commit
|
commitdiff
|
tree
2014-10-26
R
o
l
and Schulz
A
d
d Windows
s
upport for host-/us
e
r
n
ame
commit
|
commitdiff
|
tree
2014-10-22
Roland Sc
h
ulz
Remov
e
C
a
tamount cmake
commit
|
commitdiff
|
tree
2014-10-21
Roland S
c
hulz
Fix C++
1
1 f
l
ags f
o
r Min
g
W
commit
|
commitdiff
|
tree
2014-10-20
Rola
n
d
Sch
u
lz
Cr
e
ate scoped_cptr to replace scoped_ptr_sf
r
e
e
commit
|
commitdiff
|
tree
2014-10-20
R
oland
Schulz
Us
e
d
I
W
YU to partially clean up some
incl
u
des
commit
|
commitdiff
|
tree
2014-10-12
Rola
n
d Schulz
Fix misidentification of dot in path name
commit
|
commitdiff
|
tree
2014-10-05
Roland
S
c
h
u
lz
Allow
r
unAsMainSi
n
gleM
o
dule to be called
m
o
re
than
.
.
.
commit
|
commitdiff
|
tree
2014-09-29
Roland Schulz
Clarify GCC+
W
in+
A
VX warnin
g
commit
|
commitdiff
|
tree
2014-09-29
Roland Sc
h
ulz
Mer
g
e release-4
-
6 in
t
o
rele
a
se
-
5-0
commit
|
commitdiff
|
tree
2014-09-23
R
ol
a
nd Schulz
Fix ICC
warning
s
commit
|
commitdiff
|
tree
2014-09-22
Rolan
d
Sc
h
ulz
Fix messa
g
e a
b
out incorrect
u
sage o
f
dih
e
dral ty
p
e 9
commit
|
commitdiff
|
tree
2014-09-21
Ro
l
and Schulz
Merge release-5-
0
in
t
o master
commit
|
commitdiff
|
tree
2014-09-20
Roland S
c
h
ulz
Minor perform
a
nce im
p
roments
commit
|
commitdiff
|
tree
2014-09-18
Roland Schul
z
Fix double li
n
kage for tests
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Add miss
i
ng quotes
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Fix sha
r
e
d libs for Ming
w
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Merge rele
a
se-5-0 into ma
s
ter
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Remo
v
e no-inline-
m
ax-s
i
ze and suppr
e
ss r
e
mark
commit
|
commitdiff
|
tree
2014-09-17
R
ol
a
nd Sc
h
ulz
Valgrin
d
su
p
pressi
o
n
f
or OS
X
10
.
9
commit
|
commitdiff
|
tree
2014-09-16
Roland Schulz
Fix warning
s
for
I
C
C 15
commit
|
commitdiff
|
tree
2014-09-14
R
oland
S
chulz
Remove unneces
s
ary cp
p
c
h
ec
k
inc
l
ude-path
commit
|
commitdiff
|
tree
2014-09-11
R
oland Schulz
F
i
x
s
orting and do
x
ygen
commit
|
commitdiff
|
tree
2014-09-10
Ro
l
a
n
d Sch
u
lz
Me
r
ge release-5-0
i
nto master
commit
|
commitdiff
|
tree
2014-09-07
Roland Schu
l
z
Remo
v
e s
o
me include
order dependencies
commit
|
commitdiff
|
tree
2014-09-07
R
o
land Sch
u
lz
Fi
x
build for
e
xt
e
r
n
al boo
s
t 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-07
Rola
n
d Schu
l
z
Simplify AVX
i
nteg
e
r
l
oad/store
commit
|
commitdiff
|
tree
2014-09-05
Ro
l
a
n
d Schulz
Fix
b
uild for external bo
o
st 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-05
R
o
land Schulz
Merge
release-5-0 into ma
s
te
r
commit
|
commitdiff
|
tree
2014-09-04
Rol
a
nd Schulz
Add Ming
w
warning
s
commit
|
commitdiff
|
tree
2014-09-04
Roland S
c
h
u
l
z
Slight s
i
mp
l
ifcat
i
o
n
of
2xn
n
commit
|
commitdiff
|
tree
2014-09-03
Roland Schulz
M
erg
e
rel
e
ase-5-0 into
m
a
s
ter
commit
|
commitdiff
|
tree
2014-09-03
Rol
a
n
d Sch
u
lz
F
ix MingW
b
uild
commit
|
commitdiff
|
tree
2014-09-03
Roland Schulz
Fix
t
ha
t
TNG tes
t
s were not
r
un
commit
|
commitdiff
|
tree
2014-09-02
Rol
a
nd Schulz
Fix PRI
N
T_
A
L
LOC_KB o
u
tpu
t
commit
|
commitdiff
|
tree
2014-08-25
R
o
land Schu
l
z
Merge release-5-0
i
n
to master
commit
|
commitdiff
|
tree
2014-08-20
Roland Schulz
Cha
n
g
e
error to warning for
missing OMP_NUM_THR
E
AD
S
commit
|
commitdiff
|
tree
2014-08-18
Rol
a
n
d
S
c
hulz
Fix nbnx
n
templates
commit
|
commitdiff
|
tree
2014-08-18
Ro
l
and
Schulz
Add Intel
c
ommand
l
ine warning
commit
|
commitdiff
|
tree
2014-08-17
Roland Sc
h
ulz
Remove check t
h
at auto-genera
t
ed
f
iles exist
commit
|
commitdiff
|
tree
2014-08-17
Rola
n
d Sc
h
ulz
Don't build tests u
n
t
il
they are run
commit
|
commitdiff
|
tree
2014-08-17
R
oland Schulz
Use
full path for l
e
gac
y
h
e
aders
commit
|
commitdiff
|
tree
2014-08-16
R
oland
Schulz
Merge release-5-0 into
m
aster
commit
|
commitdiff
|
tree
2014-08-11
Ro
l
and
Sc
h
ulz
Move som
e
verl
e
t head
e
rs to mdli
b
commit
|
commitdiff
|
tree
2014-08-10
Roland Sc
h
ulz
Check MD
5
su
m
fo
r
r
e
g
ression
t
est
commit
|
commitdiff
|
tree
2014-08-10
Roland Sch
u
lz
Merge
r
e
lease-4-6 into release-
5
-
0
commit
|
commitdiff
|
tree
2014-08-05
Roland Schulz
Work
a
round for I
C
C
14
commit
|
commitdiff
|
tree
2014-07-31
Roland Schulz
Re
p
lace mos
t
strd
u
p with gmx_strdup
commit
|
commitdiff
|
tree
2014-07-31
R
oland Schulz
M
erge r
e
lease-5-0 into master
commit
|
commitdiff
|
tree
2014-07-28
Ro
l
and Schulz
Merge "M
e
rge
r
ele
a
se-
5
-
0
into maste
r
"
commit
|
commitdiff
|
tree
2014-07-28
Ro
l
and Schulz
M
e
r
g
e
release-5-0 int
o
ma
s
ter
commit
|
commitdiff
|
tree
2014-07-28
Rol
a
nd Schulz
Fix buil
d
o
f
binary package
commit
|
commitdiff
|
tree
2014-07-28
Roland Sc
h
ulz
Add
u
nit test for ran
d
om/Threefry
commit
|
commitdiff
|
tree
2014-07-28
R
ol
a
n
d Schulz
Remove Ran
d
om1
2
3/featu
r
es
commit
|
commitdiff
|
tree
2014-07-27
Rol
a
nd Schulz
Remove ind
i
vidual cuda libraries
commit
|
commitdiff
|
tree
2014-07-27
R
o
l
a
nd Schulz
Remov
e
mem
t
e
st
commit
|
commitdiff
|
tree
2014-07-25
Roland Schulz
W
orkaround for ICC 14 bug
commit
|
commitdiff
|
tree
2014-07-24
R
oland Schulz
Fix
Cyg
w
in
+
S
h
ared-Libs
+
FFTW
commit
|
commitdiff
|
tree
2014-07-23
Roland
S
ch
u
lz
Add
su
p
port
for
int64
i
n
r
e
fdata
commit
|
commitdiff
|
tree
2014-07-22
R
o
land Schulz
Fix GM
X
_BUILD_OWN_FFTW for Cygwin
commit
|
commitdiff
|
tree
2014-07-21
Roland
Schulz
Fi
x
GMX_NO
N
BO
N
DED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_
T
H
R
EADS
commit
|
commitdiff
|
tree
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