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Partial conversion of gmx_domdec_t to C++
2018-05-30
Roland
Schulz
Fi
x
MS
A
N build-type and error
commit
|
commitdiff
|
tree
2018-05-23
Roland Schul
z
R
e
name GMX_OCL_CLUSTER_S
I
Z
E
t
o GMX_OCL_
N
B_CLUSTER
_
S
I
ZE
commit
|
commitdiff
|
tree
2018-05-15
Ro
l
and S
c
hulz
Allow OCL CL_SIZE to be set to 4 for
I
n
tel
commit
|
commitdiff
|
tree
2018-05-15
Roland Schulz
Use same Op
e
nCL
k
ernel for di
f
ferent Vendors
commit
|
commitdiff
|
tree
2018-05-02
Roland Sc
h
u
l
z
E
n
a
ble uncrusti
f
y for O
p
enCL
commit
|
commitdiff
|
tree
2018-05-02
R
o
l
a
n
d
Schulz
S
u
pport 4 s
i
zed cluster for GP
U
NBL search
commit
|
commitdiff
|
tree
2018-01-22
Roland Schu
l
z
AVX512: cop
y
sign
commit
|
commitdiff
|
tree
2018-01-19
Roland Schulz
AVX5
1
2 GCC 5
.
3 work-a
r
ound
commit
|
commitdiff
|
tree
2018-01-18
R
ola
n
d Sc
h
ul
z
Remove in
c
o
r
rect release-note entry
commit
|
commitdiff
|
tree
2018-01-18
R
o
land S
c
hu
l
z
Av
o
id
d
y
namic STL container
s
in global i
n
it
commit
|
commitdiff
|
tree
2018-01-16
Roland
Schulz
Mer
g
e rel
e
ase-
2
01
8
into
m
a
ster
commit
|
commitdiff
|
tree
2018-01-11
Roland Schulz
Fix GMX_EN
A
BLE_AVX512
_
TESTS being internal
commit
|
commitdiff
|
tree
2018-01-05
Rol
a
nd Schulz
R
emove unused defines
commit
|
commitdiff
|
tree
2017-12-28
Roland Sc
h
ulz
Replace G
M
X
_ALIGNED with alignas
a
nd SIMD a
l
ign
m
en
t
.
.
.
commit
|
commitdiff
|
tree
2017-12-26
Roland Schulz
Fix
quote
commit
|
commitdiff
|
tree
2017-12-21
Roland S
c
hu
l
z
Update ch
e
cks for BuildOw
n
FFT
commit
|
commitdiff
|
tree
2017-12-18
R
oland Schulz
Fix cmake er
r
o
r
with e
m
acs l
o
c
k fi
l
es in p
l
a
c
e
commit
|
commitdiff
|
tree
2017-12-17
R
ol
a
nd
S
c
h
ulz
Merge branch
release-20
1
8
commit
|
commitdiff
|
tree
2017-12-17
Rola
n
d Schulz
Fix
typ
o
i
n
troduc
e
d
in b
1
b116
3
a245
commit
|
commitdiff
|
tree
2017-12-17
R
o
la
n
d Schulz
Change avx_128_fma
build to double
commit
|
commitdiff
|
tree
2017-12-17
Roland S
c
hulz
Sup
p
ort
S
imd4N
for SimdRealWidth<4
commit
|
commitdiff
|
tree
2017-12-15
Roland Schulz
Re
m
ove
incorrect/misleading OpenMP m
e
ssag
e
commit
|
commitdiff
|
tree
2017-12-15
Roland Schu
l
z
Revert "U
s
e table Ewal
d
for Sky
l
ake"
commit
|
commitdiff
|
tree
2017-12-14
Roland Schulz
Simpl
i
fy
CMAP loop
commit
|
commitdiff
|
tree
2017-12-13
R
o
l
a
nd Schulz
Remove
i
nt s
u
p
por
t
for SimdArrayRef
commit
|
commitdiff
|
tree
2017-12-12
Roland
S
c
hulz
Add work-around
f
or ICC 18
.
0/
.
1
commit
|
commitdiff
|
tree
2017-12-12
Roland Schulz
Fix shift usage for KNC
commit
|
commitdiff
|
tree
2017-12-11
Roland Schulz
Replace intrinsi
c
with inline
a
sm for A
V
X5
1
2
unit test
commit
|
commitdiff
|
tree
2017-12-07
Roland Schulz
Fix AWH te
s
t accuracy
commit
|
commitdiff
|
tree
2017-12-07
R
o
l
and
Schulz
Fix exp test
f
o
r
ICC in double
commit
|
commitdiff
|
tree
2017-12-07
Rolan
d
Schulz
Fix RelWit
h
A
ssert with ICC
commit
|
commitdiff
|
tree
2017-12-07
Roland Schulz
Fix C++11 library check's thre
a
d dependenc
y
commit
|
commitdiff
|
tree
2017-12-06
Roland Sch
u
lz
Fix ICC
w
arnings
commit
|
commitdiff
|
tree
2017-12-06
Rol
a
nd Sc
h
ulz
Added doxygen note to clarify
roun
d
ing
m
ode of S
I
MD
commit
|
commitdiff
|
tree
2017-12-05
Roland S
c
hulz
Fix
ArrayRef<SimdD
I
nt32> for
S
SE/AVX128
commit
|
commitdiff
|
tree
2017-11-27
Rola
n
d Sc
h
ul
z
Fix bugs introduced in c4cd996
commit
|
commitdiff
|
tree
2017-11-10
Ro
l
a
n
d S
c
hul
z
PME-gather: 4
x
N SIM
D
commit
|
commitdiff
|
tree
2017-11-10
Roland Schu
l
z
Rename l
o
ad1D
u
a
l
Hsimd
to loadU1Dua
l
Hsimd
commit
|
commitdiff
|
tree
2017-11-10
Rol
a
nd
S
c
hulz
AVX: Imp
r
ove load
1
DualHsi
m
d
commit
|
commitdiff
|
tree
2017-11-10
Roland Sc
h
ulz
Re
v
er
t
"Use -
m
avx2 -mfma in
s
tead of -march
w
ith AVX2"
commit
|
commitdiff
|
tree
2017-11-09
Roland Schul
z
I
C
C
should
u
se Z
M
M if
code
a
nyhow uses ZM
M
commit
|
commitdiff
|
tree
2017-11-08
Rolan
d
S
c
h
u
lz
Fi
x
scalar
b
lend
commit
|
commitdiff
|
tree
2017-10-30
Roland Schulz
Arra
y
R
e
f: Replace from
V
ect
o
r
with sub
A
rra
y
commit
|
commitdiff
|
tree
2017-10-13
R
o
land Schu
l
z
Replac
e
all
ConstArrayRef with Array
R
ef<const T
>
commit
|
commitdiff
|
tree
2017-10-13
Roland Schul
z
Spe
c
ia
l
ize ArrayRef for S
i
mdReal
commit
|
commitdiff
|
tree
2017-10-11
Roland
Schulz
Require tem
p
l
ate parameter
f
o
r load f
u
nction
commit
|
commitdiff
|
tree
2017-10-11
Rola
n
d
Sc
h
ulz
Use tag fo
r
simdLoad
commit
|
commitdiff
|
tree
2017-10-07
R
ol
a
nd Schu
l
z
Refact
o
r load+Simd
L
oad*ProxyInter
n
al
t
o
r
educe duplication
commit
|
commitdiff
|
tree
2017-10-05
Roland Sch
u
lz
Make ConstAr
r
ay
R
ef
a
lias to Ar
r
ayR
e
f<const T>
commit
|
commitdiff
|
tree
2017-10-05
Roland S
c
hulz
F
i
x
t
h
a
t e
x
p(load(x)
)
is
am
b
igu
o
us
commit
|
commitdiff
|
tree
2017-10-04
Ro
l
and Schu
l
z
Allow non-const ac
c
ess for const ArrayRef
commit
|
commitdiff
|
tree
2017-09-19
Roland
S
c
h
u
l
z
ICC: Disa
b
le include path wa
r
n
i
ng
commit
|
commitdiff
|
tree
2017-09-08
Roland Schulz
Fix compiler warn
i
ng
commit
|
commitdiff
|
tree
2017-09-07
Ro
l
and Schulz
Add is
I
ntegralC
o
nstant typ
e
tra
i
t
commit
|
commitdiff
|
tree
2017-09-06
Roland Schulz
PME-gather: Use templated functor in
s
tead of preprocessor
commit
|
commitdiff
|
tree
2017-09-04
R
oland Schu
l
z
F
ix
accuracy for cvtDo
u
ble2Float/
c
prod
commit
|
commitdiff
|
tree
2017-08-29
Ro
l
a
nd Schulz
Ena
b
le
missing declarations wa
r
ning
commit
|
commitdiff
|
tree
2017-08-28
Roland Sc
h
ulz
E
n
able unus
e
d function
warnin
g
commit
|
commitdiff
|
tree
2017-08-09
Roland Schulz
Use
table Ewald for Skylake
commit
|
commitdiff
|
tree
2017-07-11
Ro
l
and Sc
h
u
lz
PM
E
-gather: make v
a
riables local and con
s
t
commit
|
commitdiff
|
tree
2017-06-28
Roland Schulz
Me
r
ge
"Merge branch release-
2
016"
commit
|
commitdiff
|
tree
2017-06-28
Roland Schulz
Fix ICC
w
orkaround for C++11 feature check
commit
|
commitdiff
|
tree
2017-06-27
Roland S
c
hulz
Merge branch re
l
eas
e
-
2016
commit
|
commitdiff
|
tree
2017-05-22
R
o
land Schulz
Remove
TMPI_AT
O
M
ICS
from
c
onf
i
g
.
h
commit
|
commitdiff
|
tree
2017-05-11
Roland Schulz
Remove
stati
c
-
intel from d
e
fault flags
commit
|
commitdiff
|
tree
2017-02-23
Roland
S
chulz
Fix c
o
mpile of GMX_
S
IMD=None
w
ith ICC
commit
|
commitdiff
|
tree
2017-02-10
Rolan
d
S
c
hulz
Remove duplicate AVX512 gather d
e
finition
s
commit
|
commitdiff
|
tree
2017-02-08
Roland
S
chulz
A
V
X5
1
2: Use double-sized gather
f
or pair
s
of floats
commit
|
commitdiff
|
tree
2017-01-20
Roland Schulz
Fix
miss
i
ng
b
r
eak in switch
commit
|
commitdiff
|
tree
2017-01-18
Roland
S
chulz
A
dd Aligned
A
rr
a
y
commit
|
commitdiff
|
tree
2017-01-13
Roland Schulz
Enable uncrus
t
ify for temp
l
a
te
commit
|
commitdiff
|
tree
2017-01-11
Rol
a
nd Schulz
Ti
d
y
:
mode
r
niz
e
-use-n
u
llptr
commit
|
commitdiff
|
tree
2017-01-10
R
o
land Schulz
Fix A
V
X
5
12 issues in debug mode
commit
|
commitdiff
|
tree
2017-01-05
R
ola
n
d
S
c
hulz
Supress
I
CC 16 on Wi
n
d
o
ws
f
alse post
i
v
es
commit
|
commitdiff
|
tree
2017-01-05
Ro
l
and Schul
z
Fi
x
co
p
yright
y
e
a
r of previous commi
t
commit
|
commitdiff
|
tree
2017-01-05
Ro
l
and
S
c
hulz
Fix
u
nitialized
m
emory ac
c
e
s
s
commit
|
commitdiff
|
tree
2016-12-15
Rolan
d
Sc
h
ulz
Add create_uniq
u
e_with_deleter
commit
|
commitdiff
|
tree
2016-12-15
Roland Schulz
Repla
c
e
s
coped_cptr with unique
_
cptr
commit
|
commitdiff
|
tree
2016-11-03
Roland Schulz
Sup
r
ess
I
CC 16 on Windows false
postives
commit
|
commitdiff
|
tree
2016-10-30
Roland Schulz
Replace qs
o
rt/bs
e
arc
h
with std::sort/lower_b
o
und
commit
|
commitdiff
|
tree
2016-10-21
Roland Schu
l
z
Suppress
cppcheck
warning
commit
|
commitdiff
|
tree
2016-09-18
R
oland Sc
h
ulz
Fix math-test false positive
commit
|
commitdiff
|
tree
2016-09-18
Ro
l
and Schulz
B
e
tter optimized ICC release fl
a
g
s
commit
|
commitdiff
|
tree
2016-09-13
Roland Schul
z
Tidy: modernize-use-emplace
commit
|
commitdiff
|
tree
2016-08-27
R
o
la
n
d
S
chu
l
z
Fix bui
l
d with G
M
X_USE_TNG=
o
ff
commit
|
commitdiff
|
tree
2016-08-24
Rolan
d
Sc
h
ulz
Remove
u
nnecessary I
C
C
warning
s
up
p
ression
commit
|
commitdiff
|
tree
2016-07-30
Rol
a
n
d Schulz
Update GCC version f
o
r reference build
commit
|
commitdiff
|
tree
2016-07-23
R
o
la
n
d Schulz
Merge release-
2
0
1
6 into ma
s
ter
commit
|
commitdiff
|
tree
2016-07-18
Roland Sc
h
ulz
Fix n
o
n-
p
arall
e
l
build
commit
|
commitdiff
|
tree
2016-06-02
Roland
S
chulz
Fix ICC
16
u
3
b
uild
commit
|
commitdiff
|
tree
2016-05-28
Rol
a
nd Sch
u
lz
F
ix
build with c
l
a
n
g 3
.
1+3
.
2
commit
|
commitdiff
|
tree
2016-05-17
R
o
l
a
nd Schulz
Add reference to To
p
oTools 1
.
6
commit
|
commitdiff
|
tree
2016-05-13
Roland S
c
h
ulz
D
o
n't use abort for fatal errors
commit
|
commitdiff
|
tree
2016-05-10
Rola
n
d Schulz
Add OpenMP for functio
n
s limiting
scaling
commit
|
commitdiff
|
tree
2016-04-28
R
o
l
and
S
chu
l
z
Merge "
M
erge branch release
-
5-1"
commit
|
commitdiff
|
tree
2016-04-26
R
o
la
n
d Schulz
F
i
x
nume
r
ic
a
ll
y
unst
a
ble Gauss
i
a
n test
commit
|
commitdiff
|
tree
2016-04-19
Roland Sc
h
ulz
Fix numerically uns
t
a
b
le
s
ele
c
tion
test
commit
|
commitdiff
|
tree
2016-04-19
Roland Schulz
Tune nstlist inc
r
ease for
K
NL
commit
|
commitdiff
|
tree
2016-04-15
R
oland Schulz
F
i
x AVX512 suggestion
commit
|
commitdiff
|
tree
2016-04-15
Roland
S
chulz
Remove idi
o
ms dep
r
eca
t
e
d
in C++11
commit
|
commitdiff
|
tree
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