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Fix PQR file output
2018-05-21
Rola
n
d Sch
u
lz
Fix illegal instruction error on
KNL
commit
|
commitdiff
|
tree
2018-01-19
Roland
S
c
hulz
AVX512 GCC 5
.
3 work-arou
n
d
commit
|
commitdiff
|
tree
2018-01-18
Rolan
d
Schulz
R
e
m
ove inc
o
r
r
ect release-
n
ote entry
commit
|
commitdiff
|
tree
2018-01-11
R
o
l
a
nd
Schulz
F
ix
GMX_EN
A
BLE_A
V
X
5
12_TESTS being inte
r
nal
commit
|
commitdiff
|
tree
2017-12-28
Roland Schul
z
Rep
l
ace GMX_ALIGNE
D
wit
h
alig
n
as
a
nd SIMD alignment
.
.
.
commit
|
commitdiff
|
tree
2017-12-26
Rola
n
d Schulz
Fix quote
commit
|
commitdiff
|
tree
2017-12-21
Ro
l
and Schulz
Update
c
hecks for BuildOwnFFT
commit
|
commitdiff
|
tree
2017-12-18
Roland
Schulz
Fix cmake error
w
ith emacs lo
c
k
files in place
commit
|
commitdiff
|
tree
2017-12-17
R
oland Schulz
F
ix typ
o
i
n
troduced in b1b1
1
63a245
commit
|
commitdiff
|
tree
2017-12-17
Roland Schulz
Change
a
vx_128_fma bui
l
d to double
commit
|
commitdiff
|
tree
2017-12-17
Roland Sch
u
lz
Sup
p
ort Simd4
N
fo
r
S
i
mdRealWidth<4
commit
|
commitdiff
|
tree
2017-12-15
Ro
l
and Schulz
Remove inc
o
rrect/misleading O
p
en
M
P
message
commit
|
commitdiff
|
tree
2017-12-15
Rola
n
d Schu
l
z
Revert "Use
table Ewald
for Skylake"
commit
|
commitdiff
|
tree
2017-12-14
Rol
a
nd Schulz
Simplify CMAP loop
commit
|
commitdiff
|
tree
2017-12-12
Ro
l
a
nd S
c
hulz
Add work-around for IC
C
18
.
0
/
.
1
commit
|
commitdiff
|
tree
2017-12-12
Ro
l
an
d
S
c
hulz
Fix shift
usage
f
or K
N
C
commit
|
commitdiff
|
tree
2017-12-11
Rola
n
d
S
c
hulz
Rep
l
ace intrinsic with inline asm for AVX512 unit tes
t
commit
|
commitdiff
|
tree
2017-12-07
Roland Schulz
Fix AWH test accu
r
acy
commit
|
commitdiff
|
tree
2017-12-07
Roland
Schu
l
z
Fix e
x
p test for ICC
i
n do
u
ble
commit
|
commitdiff
|
tree
2017-12-07
R
o
land Schulz
Fix RelWithAs
s
ert with IC
C
commit
|
commitdiff
|
tree
2017-12-07
Roland
S
chulz
Fix C++11 library
check's th
r
ead dependency
commit
|
commitdiff
|
tree
2017-12-06
R
oland Schulz
Fix ICC
warnings
commit
|
commitdiff
|
tree
2017-12-06
Roland Schul
z
Added doxyge
n
n
o
te to c
l
ar
i
fy rounding mode of
S
I
M
D
commit
|
commitdiff
|
tree
2017-12-05
Roland Schu
l
z
Fix A
r
ray
R
ef
<
SimdDInt32> for S
S
E/AVX128
commit
|
commitdiff
|
tree
2017-11-27
Roland
Schulz
Fix bugs introdu
c
ed in c4cd99
6
commit
|
commitdiff
|
tree
2017-11-10
Roland Schu
l
z
PME-gather: 4xN SIMD
commit
|
commitdiff
|
tree
2017-11-10
Ro
l
and Sch
u
lz
R
e
name load1DualHsimd to l
o
adU1Dua
l
Hsimd
commit
|
commitdiff
|
tree
2017-11-10
Ro
l
and
S
chulz
A
V
X:
Improve
l
oad1DualHsimd
commit
|
commitdiff
|
tree
2017-11-10
Rol
a
nd Sch
u
l
z
Rev
e
rt "Use -mav
x
2 -mfma instead of -march with AVX2"
commit
|
commitdiff
|
tree
2017-11-09
Rol
a
nd
S
chulz
I
C
C
s
ho
u
ld use
Z
M
M if
c
ode an
y
how uses ZMM
commit
|
commitdiff
|
tree
2017-11-08
Roland Schulz
Fix scalar b
l
end
commit
|
commitdiff
|
tree
2017-10-30
Roland Schulz
ArrayRef
:
Replace fromVector wi
t
h s
u
bArray
commit
|
commitdiff
|
tree
2017-10-13
Roland Schulz
Replace
a
ll ConstArrayRef
w
ith ArrayRef<const
T
>
commit
|
commitdiff
|
tree
2017-10-13
R
oland
S
c
hul
z
Special
i
z
e Arra
y
Ref
f
or SimdReal
commit
|
commitdiff
|
tree
2017-10-11
R
oland Schulz
Require
t
emplate para
m
eter for lo
a
d fu
n
ction
commit
|
commitdiff
|
tree
2017-10-11
Roland Schulz
Use tag
for simd
L
oad
commit
|
commitdiff
|
tree
2017-10-07
R
oland
Schulz
Refactor load+SimdLoad*ProxyI
n
ternal to reduce duplication
commit
|
commitdiff
|
tree
2017-10-05
Rolan
d
Schulz
Make
ConstAr
r
ayRef a
l
ias to Arra
y
R
e
f<con
s
t
T>
commit
|
commitdiff
|
tree
2017-10-05
Roland Schul
z
F
i
x
t
hat ex
p
(loa
d
(x)) is
ambiguous
commit
|
commitdiff
|
tree
2017-10-04
R
oland Schulz
Allow non-c
o
nst acc
e
ss
f
o
r
c
onst Arr
a
yRe
f
commit
|
commitdiff
|
tree
2017-09-19
Rola
n
d Sc
h
ulz
ICC: Disable include path warning
commit
|
commitdiff
|
tree
2017-09-08
Roland Sc
h
ulz
F
i
x
c
o
mp
i
l
e
r warning
commit
|
commitdiff
|
tree
2017-09-07
Roland Sch
u
l
z
Add is
I
nte
g
ral
C
onstan
t
type tra
i
t
commit
|
commitdiff
|
tree
2017-09-06
Roland
Schulz
P
M
E-gat
h
er: Use
t
emplat
e
d functor i
n
stead of pr
e
pr
o
cesso
r
commit
|
commitdiff
|
tree
2017-09-04
Roland S
c
h
ulz
Fix accuracy for cvtDoubl
e
2Floa
t
/
c
prod
commit
|
commitdiff
|
tree
2017-08-29
Roland
Schulz
Enable missing dec
l
a
r
ation
s
war
n
i
ng
commit
|
commitdiff
|
tree
2017-08-28
R
oland Sch
u
lz
Enab
l
e
un
u
s
ed functi
o
n
warning
commit
|
commitdiff
|
tree
2017-08-09
Roland Schulz
Use table Ew
a
l
d for Skylake
commit
|
commitdiff
|
tree
2017-07-11
Roland Schulz
P
M
E-gath
e
r
:
m
a
ke v
a
r
i
abl
e
s local and con
s
t
commit
|
commitdiff
|
tree
2017-06-28
Rola
n
d Sc
h
ulz
M
erg
e
"Merge bran
c
h release-2
0
16"
commit
|
commitdiff
|
tree
2017-06-28
Rolan
d
Schulz
F
i
x ICC workaround for C++11 feature check
commit
|
commitdiff
|
tree
2017-06-27
Roland Schulz
M
e
rge branch rele
a
se-2016
commit
|
commitdiff
|
tree
2017-05-22
Roland
S
chulz
R
e
move TMPI_AT
O
MI
C
S
fro
m
c
onfig
.
h
commit
|
commitdiff
|
tree
2017-05-11
Roland Sch
u
lz
Remove stat
i
c-i
n
tel
f
rom default flags
commit
|
commitdiff
|
tree
2017-02-23
Ro
l
and Sch
u
lz
Fix compile
o
f GMX_SIMD=None w
i
th ICC
commit
|
commitdiff
|
tree
2017-02-10
Rolan
d
S
chulz
Remove duplicate
A
VX512 gather defini
t
ions
commit
|
commitdiff
|
tree
2017-02-08
Roland Schulz
AVX512
:
Use do
u
ble-sized gather for
p
airs of floats
commit
|
commitdiff
|
tree
2017-01-20
R
o
land Schulz
Fix missing brea
k
in switc
h
commit
|
commitdiff
|
tree
2017-01-18
R
o
land Schulz
A
d
d Al
i
gnedA
r
r
a
y
commit
|
commitdiff
|
tree
2017-01-13
R
o
lan
d
Schulz
Enable uncrustify for temp
l
ate
commit
|
commitdiff
|
tree
2017-01-11
Rol
a
nd Schulz
Tidy:
m
odernize-use-nullptr
commit
|
commitdiff
|
tree
2017-01-10
Roland Schulz
Fix AVX512 i
s
sues in de
b
ug mode
commit
|
commitdiff
|
tree
2017-01-05
Roland
S
c
hul
z
Supres
s
I
C
C 16
on Wi
n
dow
s
false posti
v
es
commit
|
commitdiff
|
tree
2017-01-05
Roland Schulz
Fix copyright year
o
f previous
commit
commit
|
commitdiff
|
tree
2017-01-05
Ro
l
and S
c
hulz
F
i
x un
i
tialized memory ac
c
ess
commit
|
commitdiff
|
tree
2016-12-15
R
o
lan
d
Sc
h
ulz
A
dd create_
u
nique_with_
d
eleter
commit
|
commitdiff
|
tree
2016-12-15
Rola
n
d S
c
hulz
Repl
a
ce scoped_cptr with u
n
ique_cptr
commit
|
commitdiff
|
tree
2016-11-03
R
ola
n
d Schulz
Supr
e
ss ICC 16 on W
i
ndows false p
o
sti
v
es
commit
|
commitdiff
|
tree
2016-10-30
Roland Schulz
R
eplace
q
sor
t
/bsearch with std
:
:s
o
rt/low
e
r_bound
commit
|
commitdiff
|
tree
2016-10-21
Rol
a
nd Schulz
Suppres
s
c
ppche
c
k warning
commit
|
commitdiff
|
tree
2016-09-18
Roland Sch
u
lz
Fix math-tes
t
false positive
commit
|
commitdiff
|
tree
2016-09-18
Roland Schulz
Better
optimize
d
I
CC
r
e
lease flags
commit
|
commitdiff
|
tree
2016-09-13
Roland Sch
u
lz
Tidy: modernize-us
e
-emplace
commit
|
commitdiff
|
tree
2016-08-27
Roland
S
chul
z
F
i
x bui
l
d with GMX_USE_TNG=off
commit
|
commitdiff
|
tree
2016-08-24
R
o
l
and Schulz
Remo
v
e
unnecessary ICC warning su
p
pressi
o
n
commit
|
commitdiff
|
tree
2016-07-30
Rol
a
nd Schulz
Upd
a
te
GCC version for refer
e
nce build
commit
|
commitdiff
|
tree
2016-07-23
Ro
l
and
S
chulz
M
e
r
g
e
release-20
1
6 into ma
s
ter
commit
|
commitdiff
|
tree
2016-07-18
R
ol
a
nd Schulz
Fix non-p
a
rallel build
commit
|
commitdiff
|
tree
2016-06-02
Ro
l
and Schu
l
z
Fix
ICC 16u3
b
uil
d
commit
|
commitdiff
|
tree
2016-05-28
R
olan
d
Sch
u
lz
F
i
x build
w
ith
c
lang 3
.
1+3
.
2
commit
|
commitdiff
|
tree
2016-05-17
Rola
n
d Schulz
Add
r
eference
t
o
TopoTools
1
.
6
commit
|
commitdiff
|
tree
2016-05-13
Rola
n
d Schulz
Don
'
t use abor
t
fo
r
fatal
e
rrors
commit
|
commitdiff
|
tree
2016-05-10
Roland Schulz
Add OpenMP for functi
o
ns limiting sc
a
l
ing
commit
|
commitdiff
|
tree
2016-04-28
Roland Schulz
Merge "Merge branch
r
elease-5-1"
commit
|
commitdiff
|
tree
2016-04-26
Rola
n
d
Schulz
Fix numeric
a
lly unstabl
e
Gauss
i
an
te
s
t
commit
|
commitdiff
|
tree
2016-04-19
Roland Schulz
Fi
x
n
u
merically unst
a
ble selection test
commit
|
commitdiff
|
tree
2016-04-19
Roland Schu
l
z
Tune nstli
s
t increase fo
r
KN
L
commit
|
commitdiff
|
tree
2016-04-15
Rol
a
nd
S
chulz
Fi
x
A
VX5
1
2
suggesti
o
n
commit
|
commitdiff
|
tree
2016-04-15
Roland Schulz
Remove id
i
oms dep
r
ecated in C++11
commit
|
commitdiff
|
tree
2016-04-06
Roland Schulz
AVX512
transposeScatterIn
c
r/DecrU with loa
d
/
store
commit
|
commitdiff
|
tree
2016-04-02
Roland Schulz
Fix c
o
olquotes
commit
|
commitdiff
|
tree
2016-03-11
Ro
l
and Schul
z
Fix MPI_IN_PLACE test
commit
|
commitdiff
|
tree
2016-03-10
Roland Sc
h
ulz
Improve AVX512
commit
|
commitdiff
|
tree
2015-12-27
Ro
l
a
n
d Schulz
Fi
x
G++ 4
.
7
.
0
commit
|
commitdiff
|
tree
2015-12-08
Roland Schulz
R
e
move old
M
SV
C
refer
e
nces
commit
|
commitdiff
|
tree
2015-09-30
Roland Sc
h
ulz
Require C+
+
11
commit
|
commitdiff
|
tree
2015-09-30
Roland Schul
z
M
a
nually pro
p
agate CUDA h
o
s
t
compil
e
r
flags
commit
|
commitdiff
|
tree
2015-09-27
Rolan
d
Schulz
Converted 4xn kerne
l
to
C++
commit
|
commitdiff
|
tree
2015-09-23
Roland
Schulz
Bump requir
e
d
C
UDA ve
r
sion f
r
om 4
.
0
+
to
5
.
0+
commit
|
commitdiff
|
tree
2015-08-15
Roland S
c
h
ulz
Fix Clang warning
commit
|
commitdiff
|
tree
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