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Generalize command-line test output file checking
2017-02-23
Roland Schul
z
F
ix compile of
G
M
X
_
S
IMD
=
None wi
t
h ICC
commit
|
commitdiff
|
tree
2017-02-10
Roland S
c
hulz
Remove duplicate AVX5
1
2
ga
t
her defi
n
it
i
ons
commit
|
commitdiff
|
tree
2017-02-08
Roland S
c
hulz
AVX512:
Use dou
b
le-sized ga
t
her for pairs of floats
commit
|
commitdiff
|
tree
2017-01-20
Roland Schul
z
Fix missing
b
r
eak in sw
i
tch
commit
|
commitdiff
|
tree
2017-01-18
R
o
land
S
chulz
Add A
l
i
g
nedArray
commit
|
commitdiff
|
tree
2017-01-13
Roland Sch
u
lz
E
n
able
uncrust
i
fy for t
e
m
plate
commit
|
commitdiff
|
tree
2017-01-11
Roland Schulz
Tidy: mod
e
rnize
-
us
e
-nullptr
commit
|
commitdiff
|
tree
2017-01-10
Rol
a
n
d Schu
l
z
Fix AVX512 issues in deb
u
g mo
d
e
commit
|
commitdiff
|
tree
2017-01-05
Roland Schulz
Su
p
ress
I
CC 16 on Window
s
f
a
lse postives
commit
|
commitdiff
|
tree
2017-01-05
Ro
l
and Sch
u
lz
Fix cop
y
right year o
f
previous commi
t
commit
|
commitdiff
|
tree
2017-01-05
Roland Schulz
Fix unitialized m
e
mory
a
ccess
commit
|
commitdiff
|
tree
2016-12-15
Ro
l
a
n
d Schulz
Add
creat
e
_u
n
ique_
w
ith_dele
t
e
r
commit
|
commitdiff
|
tree
2016-12-15
Roland
Schulz
R
e
place
s
coped_cptr
w
ith uniqu
e
_cptr
commit
|
commitdiff
|
tree
2016-11-03
R
oland Schulz
Sup
r
ess ICC 16 o
n
Wind
o
ws false postives
commit
|
commitdiff
|
tree
2016-10-30
R
o
l
a
nd Schulz
Replac
e
q
sor
t
/bsearc
h
with std::sort/lo
w
er_boun
d
commit
|
commitdiff
|
tree
2016-10-21
Roland Schulz
Supp
r
ess c
p
pche
c
k warning
commit
|
commitdiff
|
tree
2016-09-18
Roland Schulz
Fix math-test
f
alse positive
commit
|
commitdiff
|
tree
2016-09-18
Rol
a
nd S
c
hulz
B
e
tter
op
t
imized ICC
r
ele
a
s
e
f
l
ags
commit
|
commitdiff
|
tree
2016-09-13
Roland Schul
z
Tidy: modernize-use-
e
m
place
commit
|
commitdiff
|
tree
2016-08-27
Roland S
c
hul
z
Fix bui
l
d with GMX_USE_TNG=off
commit
|
commitdiff
|
tree
2016-08-24
Roland Schulz
Remove unnecessary
IC
C
w
arnin
g
suppression
commit
|
commitdiff
|
tree
2016-07-30
Ro
l
an
d
Schulz
Up
d
ate
GCC ver
s
ion for r
e
ference
build
commit
|
commitdiff
|
tree
2016-07-23
Roland Schulz
Mer
g
e re
l
ease-2016 i
n
t
o
ma
s
ter
commit
|
commitdiff
|
tree
2016-07-18
R
o
land Schulz
Fix non-paralle
l
build
commit
|
commitdiff
|
tree
2016-06-02
R
o
l
and Schulz
Fix
I
CC
1
6
u3 build
commit
|
commitdiff
|
tree
2016-05-28
Ro
l
and Schulz
Fix
build with
clang 3
.
1+3
.
2
commit
|
commitdiff
|
tree
2016-05-17
Rolan
d
Schulz
Add reference to TopoToo
l
s 1
.
6
commit
|
commitdiff
|
tree
2016-05-13
Roland Schulz
Do
n
'
t
use abort for
fa
t
al er
r
ors
commit
|
commitdiff
|
tree
2016-05-10
Roland Schul
z
Add OpenMP
f
or f
u
nction
s
lim
i
ting sca
l
i
ng
commit
|
commitdiff
|
tree
2016-04-28
Roland Sc
h
ulz
Merge
"
Mer
g
e br
a
nch release-5-1"
commit
|
commitdiff
|
tree
2016-04-26
Roland Schulz
Fix numerically
unstable G
a
u
ssian te
s
t
commit
|
commitdiff
|
tree
2016-04-19
Ro
l
and
S
chulz
Fix numeri
c
all
y
un
s
t
a
ble s
e
l
e
ctio
n
test
commit
|
commitdiff
|
tree
2016-04-19
Roland Schulz
Tune ns
t
l
ist increas
e
for KNL
commit
|
commitdiff
|
tree
2016-04-15
Roland
S
ch
u
lz
Fix AVX512
sugges
t
ion
commit
|
commitdiff
|
tree
2016-04-15
Roland Schulz
Remove idioms deprecated in C++11
commit
|
commitdiff
|
tree
2016-04-06
Rol
a
nd S
c
hulz
AVX5
1
2 transposeScatterIncr/
D
ecrU with l
o
ad/store
commit
|
commitdiff
|
tree
2016-04-02
Rol
a
nd Schul
z
Fix coolquo
t
e
s
commit
|
commitdiff
|
tree
2016-03-11
Roland Sc
h
ulz
Fix MP
I
_IN_PLACE test
commit
|
commitdiff
|
tree
2016-03-10
Roland Sch
u
lz
Improve AVX512
commit
|
commitdiff
|
tree
2015-12-27
Rola
n
d Schulz
Fix G++
4
.
7
.
0
commit
|
commitdiff
|
tree
2015-12-08
Rola
n
d Schulz
R
em
o
ve
old MSVC
ref
e
rences
commit
|
commitdiff
|
tree
2015-09-30
Roland Sc
h
ulz
Require C++11
commit
|
commitdiff
|
tree
2015-09-30
R
o
lan
d
Sc
h
u
l
z
Manuall
y
p
ropaga
t
e C
U
D
A
host compiler flags
commit
|
commitdiff
|
tree
2015-09-27
Roland Schulz
Convert
e
d
4xn ker
n
el t
o
C++
commit
|
commitdiff
|
tree
2015-09-23
Ro
l
and Schulz
Bump requi
r
e
d
CUDA version fro
m
4
.
0+ to
5
.
0+
commit
|
commitdiff
|
tree
2015-08-15
Roland
S
chulz
F
ix Clang warning
commit
|
commitdiff
|
tree
2015-08-07
Rola
n
d Schulz
Fix VS2015 warning
commit
|
commitdiff
|
tree
2015-08-07
Roland Schulz
Fix missi
n
g include
commit
|
commitdiff
|
tree
2015-08-06
R
olan
d
Sch
u
lz
Rep
l
ac
e
AI
,
AJ,
.
.
and C0, C
1
, C2 macros with functions
commit
|
commitdiff
|
tree
2015-07-28
Rola
n
d Schulz
Convert
e
d 2xnn kernel to C++
commit
|
commitdiff
|
tree
2015-07-11
Roland Schulz
U
pdate
k
erne
l
templates to
m
atch
k
ernels
commit
|
commitdiff
|
tree
2015-07-09
R
o
land Sc
h
ulz
N
ew quotes
commit
|
commitdiff
|
tree
2015-07-08
Rola
n
d Schulz
Merge r
e
lease-5-1
i
n
to
m
aster
commit
|
commitdiff
|
tree
2015-07-08
Rol
a
n
d
Schulz
Mer
g
e release-5-0 into release-
5
-1
commit
|
commitdiff
|
tree
2015-07-08
Roland
S
chulz
Me
r
ge r
e
l
e
ase-4-6 into relea
s
e-5
-
0
commit
|
commitdiff
|
tree
2015-06-28
Roland Schulz
R
e
m
ove
u
nused c
m
ak
e
files
commit
|
commitdiff
|
tree
2015-06-28
Rola
n
d Schulz
D
o
n
't use chec
k
_
l
ib
r
ary for
l
ibm
commit
|
commitdiff
|
tree
2015-06-25
Rola
n
d Schulz
Fix Wundef warni
n
gs
commit
|
commitdiff
|
tree
2015-06-22
R
o
lan
d
Schu
l
z
Fix GMX_ALIG
N
M
E
NT for
M
S
VC 2012 and 2013
commit
|
commitdiff
|
tree
2015-06-22
Rol
a
nd S
c
hulz
Fi
x
c
m
ake 3
.
1 warnings wit
h
MSVC
commit
|
commitdiff
|
tree
2015-06-19
Roland Schulz
Fix missin
g
incl
u
de
commit
|
commitdiff
|
tree
2015-06-16
Rolan
d
Schulz
Fix war
n
i
ng in uncrustify
commit
|
commitdiff
|
tree
2015-06-16
Roland Schulz
Fix consts
i
n b
o
nded and cl
i
nc
s
commit
|
commitdiff
|
tree
2015-06-06
Roland Schulz
Use
stat
to
check that paths are equivalent
commit
|
commitdiff
|
tree
2015-06-05
R
o
la
n
d Schulz
Merge
release-5
-
0
i
n
to
m
aster
commit
|
commitdiff
|
tree
2015-06-05
Rolan
d
Schulz
R
eenabl
e
lincs/bonded SIMD for ICC
o
n
Wind
o
w
s
commit
|
commitdiff
|
tree
2015-06-03
Roland
S
chulz
Use st
a
ck buffer for LINCS&bonded gather
/
scatter
commit
|
commitdiff
|
tree
2015-05-30
Roland Sch
u
lz
W
o
rk
-
aro
u
nd f
o
r ICC 15 on Phi
commit
|
commitdiff
|
tree
2015-05-26
R
ol
a
n
d
Schulz
Don't set CF
L
AGS for
P
hi
in toolc
h
ain
commit
|
commitdiff
|
tree
2015-05-13
Roland Schulz
Facilit
a
te
l
inking of
s
tatic binaries
commit
|
commitdiff
|
tree
2015-03-17
R
o
land Schulz
Fix linki
n
g
w
i
t
h
static l
i
b
x
ml2
commit
|
commitdiff
|
tree
2015-03-04
R
o
l
and Sc
h
ulz
Fix GCC5 warn
i
ngs
commit
|
commitdiff
|
tree
2015-03-03
Roland Schul
z
nbnxn ut
i
ls perf
o
rmance improvement for Phi
commit
|
commitdiff
|
tree
2015-03-02
R
ol
a
nd Schulz
D
on't sear
c
h in
s
t
a
llat
i
o
n
p
r
efix if binary i
s
no
t
fou
n
d
commit
|
commitdiff
|
tree
2015-02-25
Ro
l
and Schulz
C++ con
v
ersion for PME spread/ga
t
her
commit
|
commitdiff
|
tree
2015-02-12
Roland Sch
u
lz
Merge release-5-0
into m
a
ster
commit
|
commitdiff
|
tree
2015-02-12
Roland Schulz
Merg
e
rele
a
se
-
4-6
into release-5-0
commit
|
commitdiff
|
tree
2015-02-10
Roland Schu
l
z
D
o
n't set C
F
LA
G
S
f
or Phi in toolch
a
i
n
commit
|
commitdiff
|
tree
2015-02-10
Rol
a
nd Schulz
Work-around for I
C
C
15 on
P
hi
commit
|
commitdiff
|
tree
2015-02-07
Ro
l
and
Schulz
Make F
i
ndB
o
ost
q
uit
e
commit
|
commitdiff
|
tree
2015-02-02
Roland Sch
u
lz
F
i
x
FP exception
i
n F
E
commit
|
commitdiff
|
tree
2015-01-27
Rol
a
nd S
c
hul
z
Workaround for Memo
r
ySani
t
izer
commit
|
commitdiff
|
tree
2015-01-27
Roland
Schulz
F
i
x
unitlized memory read in che
c
kpoin
t
commit
|
commitdiff
|
tree
2015-01-05
Rol
a
nd Schu
l
z
Enable fp
-
excep
t
ion
s
commit
|
commitdiff
|
tree
2014-12-18
Roland Schulz
Fix CMP0
0
5
4
cma
k
e 3
.
1
.
0 warnings
commit
|
commitdiff
|
tree
2014-12-17
Roland
Sch
u
lz
Merge "Merge
b
ranch 'releas
e
-
5
-0'"
commit
|
commitdiff
|
tree
2014-12-17
Ro
l
and
S
chulz
Fix cppcheck-1
.
67 warnings
commit
|
commitdiff
|
tree
2014-12-15
Roland S
c
hulz
Fix NVML detection on Windows
commit
|
commitdiff
|
tree
2014-12-13
Ro
l
and Schulz
Use b
i
tmask for
b
onded
commit
|
commitdiff
|
tree
2014-12-07
Roland
S
chulz
Merge release-5-0
i
nto
master
commit
|
commitdiff
|
tree
2014-11-26
Rolan
d
Schulz
F
i
x clan
g
wi
t
h b
o
ost 1
.
46
.
1
and 1
.
47
commit
|
commitdiff
|
tree
2014-11-26
Roland
S
c
hulz
Merge release-
5
-
0
into ma
s
t
e
r
commit
|
commitdiff
|
tree
2014-11-23
Ro
l
and Sc
h
ulz
Set GMX_SIMD t
o
MIC for Xeon Phi
commit
|
commitdiff
|
tree
2014-11-12
Roland Sc
h
ulz
Use stat to c
h
ec
k
that paths are
e
quivalent
commit
|
commitdiff
|
tree
2014-11-12
Rolan
d
Schulz
Ad
d
b
i
tmask t
y
pe
commit
|
commitdiff
|
tree
2014-11-09
Roland Schulz
B
ackport va
l
g
r
ind suppression
commit
|
commitdiff
|
tree
2014-11-09
R
o
land
Schul
z
Fix CMP0054
cmak
e
3
.
1
.
0 warnings
commit
|
commitdiff
|
tree
2014-11-05
Roland Schulz
Minor
u
p
dat
e
of boost
README
commit
|
commitdiff
|
tree
2014-10-30
R
o
l
and Schulz
Merge "Me
r
ge r
e
le
a
s
e
-5-0
into m
a
s
t
er"
commit
|
commitdiff
|
tree
2014-10-26
Roland Schul
z
Add
Windows su
p
port fo
r
host-/username
commit
|
commitdiff
|
tree
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