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Merge branch 'origin/release-2020' into merge-2020-into-2021
2020-10-26
Rol
a
nd Schulz
M
ake insta
l
l
-
guide
M
P
I
c
onsiste
n
t
commit
|
commitdiff
|
tree
2020-10-23
Roland Sc
h
ulz
Fix warning with OneAPI co
m
piler
a
nd AVX
5
12
commit
|
commitdiff
|
tree
2020-09-10
R
oland Sc
h
ulz
F
i
x
V
isual Studio build
commit
|
commitdiff
|
tree
2020-09-10
Roland Schulz
Simpi
f
y C
h
eckpointData
commit
|
commitdiff
|
tree
2020-07-06
Roland S
c
hulz
Modernize STL
usage
commit
|
commitdiff
|
tree
2020-07-01
Rolan
d
Schulz
Simplify Iterator
s
commit
|
commitdiff
|
tree
2020-06-26
Rola
n
d Schu
l
z
Change ArrayRef to
u
s
e a p
r
oper i
t
erator
commit
|
commitdiff
|
tree
2020-06-26
R
o
land Schulz
MKL NULL-
>
null
p
tr
a
n
d
remove
dead code
commit
|
commitdiff
|
tree
2020-06-24
Roland
Sc
h
ulz
Fix OpenCL install
commit
|
commitdiff
|
tree
2020-06-24
Ro
l
and Schulz
Fix clFFT build
w
itho
u
t GMX_LOAD_PLUGINS
commit
|
commitdiff
|
tree
2020-06-23
Roland Schulz
D
on't print pygments erro
r
commit
|
commitdiff
|
tree
2020-05-11
Roland Schulz
F
i
x
Clang Cuda
flags
commit
|
commitdiff
|
tree
2020-05-11
Ro
l
and
S
chulz
Fix Clang
C
UDA for Cl
a
ng>
=
9
commit
|
commitdiff
|
tree
2020-04-28
Roland S
c
hulz
Ad
d
c
l
ang WA
commit
|
commitdiff
|
tree
2020-04-28
Roland
S
chu
l
z
Fix
M
SVC 20
1
9 test failures
commit
|
commitdiff
|
tree
2020-04-25
Roland Sch
u
lz
Fix MSVC 2019 warnings
commit
|
commitdiff
|
tree
2020-01-08
Roland
Schu
l
z
Merge r
e
lease-2019 into release
-
202
0
commit
|
commitdiff
|
tree
2020-01-07
Roland
S
chulz
Workaround
f
or ICC 19u5 and 20initia
l
commit
|
commitdiff
|
tree
2020-01-07
Roland
S
chu
l
z
A
d
d
support f
o
r ICC
Nex
t
Gen with MKL
commit
|
commitdiff
|
tree
2019-03-28
R
ol
a
nd
S
chulz
Fix UB
vector usage
commit
|
commitdiff
|
tree
2019-03-27
Rolan
d
Schulz
Fix
U
B ve
c
t
or us
a
ge
commit
|
commitdiff
|
tree
2019-03-08
Roland Schulz
Fix
I
CC w
a
rnings
commit
|
commitdiff
|
tree
2019-03-01
Ro
l
a
n
d Schulz
I
m
prove documen
t
ation links
commit
|
commitdiff
|
tree
2019-02-19
Rol
a
nd Schul
z
Add G
M
X_OCL
_
SHOW_DIAGNOSTIC
S
env option
commit
|
commitdiff
|
tree
2019-02-19
Roland Sch
u
lz
Improv
e
libstd++
han
d
ling
commit
|
commitdiff
|
tree
2019-02-11
Rol
a
n
d Sch
u
lz
R
emo
v
e Empty
A
rray
R
ef
commit
|
commitdiff
|
tree
2019-02-08
Rol
a
nd S
c
hulz
Fix si
g
n
warning
commit
|
commitdiff
|
tree
2019-02-07
R
oland Schul
z
Revert size to
be uns
i
gned
f
or ArrayRef
commit
|
commitdiff
|
tree
2019-02-07
R
o
l
and S
c
hulz
Add
ssize and re
m
ove static_casts
commit
|
commitdiff
|
tree
2019-02-04
R
o
land Schulz
Rena
m
e a
l
l sourc
e
fi
l
es from -
to _ for co
n
sistency
.
commit
|
commitdiff
|
tree
2019-02-04
Roland
S
chulz
Fix cmake poli
c
y
w
arning
commit
|
commitdiff
|
tree
2019-02-04
Roland
S
chulz
R
eplace compat::make_u
n
ique with std::
m
ake_unique
commit
|
commitdiff
|
tree
2019-02-02
Roland S
c
hu
l
z
Fix
I
nt
e
l
compiler on
Windows b
u
i
l
d
commit
|
commitdiff
|
tree
2019-02-02
Rolan
d
Schulz
Renamed listed-forces to listed_forces
commit
|
commitdiff
|
tree
2019-02-02
Roland Schulz
Remove
reli
a
nce
on incons
i
stent cm
a
ke
f
eature t
e
stin
g
commit
|
commitdiff
|
tree
2019-02-02
Roland Schulz
A
dd recommendation of how t
o
compile w
i
th MPI
commit
|
commitdiff
|
tree
2019-01-31
Roland Schulz
Fix cl
f
f
t build
commit
|
commitdiff
|
tree
2019-01-30
Roland Schulz
Chang
e
all
C
to C++ out
s
ide
o
f T
N
G
commit
|
commitdiff
|
tree
2019-01-29
Roland Schulz
A
d
d
cmake C++14 feature check
commit
|
commitdiff
|
tree
2019-01-28
Rol
a
nd
S
chulz
Resolve
C++14 TO
D
Os
commit
|
commitdiff
|
tree
2019-01-26
Roland Schul
z
Fix
c
lang w
a
r
n
ing
commit
|
commitdiff
|
tree
2019-01-26
Roland Schulz
F
ix m
i
sc clang warnings
commit
|
commitdiff
|
tree
2019-01-25
R
ola
n
d Schu
l
z
Require C++14
commit
|
commitdiff
|
tree
2019-01-25
Roland Schu
l
z
Work-around for ICC bug in sim
d
-tests
commit
|
commitdiff
|
tree
2019-01-23
Roland Schulz
M
e
rge rele
a
se-2
0
19 into master
commit
|
commitdiff
|
tree
2019-01-23
Rola
n
d Schulz
Mer
g
e re
l
ease-2018 in
t
o r
e
lease
-
2019
commit
|
commitdiff
|
tree
2019-01-23
Ro
l
and
S
c
h
ulz
Rename gmx Variant to An
y
commit
|
commitdiff
|
tree
2019-01-23
Roland Schulz
Tu
r
n SystemAtomIterator
i
nt
o
prop
e
r iterator
commit
|
commitdiff
|
tree
2019-01-15
R
o
land Schulz
Require cmak
e
3
.
9
.
6
commit
|
commitdiff
|
tree
2018-12-13
Roland S
c
hulz
Remove unused Md
r
u
nC
o
mparisonFixtu
r
e
commit
|
commitdiff
|
tree
2018-11-16
Roland Schulz
Merge release-2019 into master
commit
|
commitdiff
|
tree
2018-10-09
Roland S
c
hulz
Fix MS
A
N er
r
o
r
s
commit
|
commitdiff
|
tree
2018-10-08
Rol
a
nd Schulz
OCL: Add
c
onst
t
o fu
n
ction arguments
commit
|
commitdiff
|
tree
2018-10-08
Roland Schulz
Add
OCL kernel target
commit
|
commitdiff
|
tree
2018-10-08
Rol
a
nd Schulz
Fix OCL comp
i
ler warnings
commit
|
commitdiff
|
tree
2018-10-08
Rol
a
nd Schulz
Remove majo
r
ity of
O
C
L
command line constants
commit
|
commitdiff
|
tree
2018-10-05
Roland Schulz
Fix multip
l
e bugs detected on
W
i
ndows
commit
|
commitdiff
|
tree
2018-10-05
Roland
Schulz
OCL: M
a
ke variables const
commit
|
commitdiff
|
tree
2018-10-04
R
ol
a
nd Schulz
Use subgroup for warp_an
y
and CJ4
prefetch
commit
|
commitdiff
|
tree
2018-10-02
Ro
l
and Schulz
Use subgroup shuffle
for reduction
commit
|
commitdiff
|
tree
2018-10-02
Roland Schulz
Na
r
r
ow
scope of ICC
co
m
piler wo
r
k
-around
commit
|
commitdiff
|
tree
2018-09-27
Roland Schulz
Recogn
i
ze Intel GPU as compatib
l
e
commit
|
commitdiff
|
tree
2018-09-21
Roland Schul
z
Fix clang-
t
idy w
a
rn
i
ngs for clan
g
7
commit
|
commitdiff
|
tree
2018-09-18
Rola
n
d
Schulz
Fix bi
t
mask pr
i
nting
commit
|
commitdiff
|
tree
2018-09-15
R
o
land Schulz
R
eplace
slave
with agen
t
commit
|
commitdiff
|
tree
2018-09-14
Roland Schulz
Wa
r
n for type
m
isma
t
c
h for g
m
x
printf like functio
n
s
3
/3
commit
|
commitdiff
|
tree
2018-09-13
Roland Schulz
R
emove s
p
a
r
c
6
4
_hpc_ace nonb
o
nded kernels
commit
|
commitdiff
|
tree
2018-09-13
Rola
n
d
Schulz
Remove useless comme
n
ts
commit
|
commitdiff
|
tree
2018-09-12
R
o
l
and Schulz
Warn for type mism
a
tch
f
o
r
gmx
print
f
like functions 2/3
commit
|
commitdiff
|
tree
2018-09-12
Rol
a
n
d Schulz
Add SSE2 + d
o
uble
conf
i
g
commit
|
commitdiff
|
tree
2018-09-12
Rol
a
n
d
Schulz
Remove cplus
c
plus ifde
f
s
commit
|
commitdiff
|
tree
2018-09-12
Roland Sc
h
u
lz
Fi
x
c
l
an
g
-t
i
dy warni
n
gs for OCL
commit
|
commitdiff
|
tree
2018-09-11
Roland Sch
u
lz
Fix SSE4
.
1
af
t
er ch
a
nge to C++
commit
|
commitdiff
|
tree
2018-09-11
Roland
Schulz
C
ompile nonbo
n
ded kern
e
ls
a
s C
+
+
commit
|
commitdiff
|
tree
2018-09-10
Roland Schul
z
Replace ro
u
nding using i
n
t(x+
0
.
5) with round
T
oInt
commit
|
commitdiff
|
tree
2018-09-10
Rola
n
d
Schulz
Add roundToInt
commit
|
commitdiff
|
tree
2018-09-07
R
o
land Schulz
c
lang-
t
idy: overr
i
de
commit
|
commitdiff
|
tree
2018-09-07
Roland Sch
u
lz
Sim
p
l
ify Allocator
commit
|
commitdiff
|
tree
2018-09-06
Roland Schu
l
z
Ho
s
tAllocator: R
e
move unnece
s
sary
t
emp
l
at
e
commit
|
commitdiff
|
tree
2018-09-06
Roland S
c
h
u
l
z
Remove pin/u
n
p
in from Ho
s
tAllocator
commit
|
commitdiff
|
tree
2018-09-06
Rola
n
d Sc
h
ulz
Change CanBePinned to
PinnedIfSupported
commit
|
commitdiff
|
tree
2018-09-05
Roland Schu
l
z
Remove meta inf
o
rmation from host alloca
t
or
p
olicy
commit
|
commitdiff
|
tree
2018-09-03
Roland Schulz
Reduce d
u
pl
i
cat
i
o
n in gpu_
u
t
ils
commit
|
commitdiff
|
tree
2018-09-02
Ro
l
and Schul
z
Tu
r
n DlbState into scoped enum
commit
|
commitdiff
|
tree
2018-08-29
Ro
l
and Sch
u
lz
Docume
n
t
clang-tidy lib
s
tdc++ incomp
a
tibility
commit
|
commitdiff
|
tree
2018-08-29
Roland Schulz
Us
e
more
const i
n
hardwaretopology
commit
|
commitdiff
|
tree
2018-08-29
R
oland Sc
h
ulz
Fix clang-t
i
dy bui
l
d with libstdc++ >
=
7
commit
|
commitdiff
|
tree
2018-08-28
Roland Schulz
Add hard lim
i
t
for line length
commit
|
commitdiff
|
tree
2018-08-27
Roland Schulz
Enable
m
o
r
e
clang-tid
y
checks for new code
commit
|
commitdiff
|
tree
2018-08-20
Roland Schulz
Remov
e
ma
c
r
o
s in
u
t
i
lity/t
e
sts/
a
r
r
ayr
e
f
commit
|
commitdiff
|
tree
2018-08-19
Roland
S
chulz
Fix simd-test
commit
|
commitdiff
|
tree
2018-08-18
R
o
land
Sc
h
ulz
readability-implici
t
-bool
-
conversio
n
2/2
commit
|
commitdiff
|
tree
2018-08-18
Rola
n
d
S
chulz
re
a
da
b
i
l
ity-i
m
plicit-boo
l
-conversion 1/2
commit
|
commitdiff
|
tree
2018-08-18
Ro
l
and Schulz
clang-
t
idy mod
e
r
n
ize
commit
|
commitdiff
|
tree
2018-08-18
Ro
l
a
n
d Schulz
clang-tidy: google
t
ests appl
i
cable
commit
|
commitdiff
|
tree
2018-08-18
Roland Sch
u
lz
Enable clang
t
i
dy/warnings fo
r
t
e
sts
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
F
i
x
i
nt/boo
l
bugs
commit
|
commitdiff
|
tree
2018-08-14
Roland Schul
z
Remove
B
as
i
cVector
.
a
s_vec
commit
|
commitdiff
|
tree
2018-08-13
Roland Schulz
Rem
o
ve code duplication in t
r
a
j
a
na/m
o
dules/trajecto
r
y
commit
|
commitdiff
|
tree
2018-08-13
Roland
Schulz
Remove cppchec
k
commit
|
commitdiff
|
tree
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