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Allow CUDA build tests to succeed without GPU
2020-10-26
Roland Schu
l
z
Ma
k
e ins
t
all-guide
M
PI
consisten
t
commit
|
commitdiff
|
tree
2020-10-23
Rola
n
d
S
ch
u
lz
Fix
w
a
r
n
i
ng with
On
e
API compiler a
n
d AVX512
commit
|
commitdiff
|
tree
2020-09-10
Roland Sc
h
u
l
z
Fix Vis
u
a
l
S
tudi
o
build
commit
|
commitdiff
|
tree
2020-09-10
Roland Schulz
Simpify Check
p
ointData
commit
|
commitdiff
|
tree
2020-07-06
Roland Schulz
Moder
n
ize STL usage
commit
|
commitdiff
|
tree
2020-07-01
Roland S
c
hulz
Simplify
I
tera
t
o
r
s
commit
|
commitdiff
|
tree
2020-06-26
Roland
S
chulz
Change
A
rra
y
Ref to use
a prope
r
ite
r
ator
commit
|
commitdiff
|
tree
2020-06-26
Roland Schulz
MKL
N
ULL->n
u
llptr and remove dead
c
o
d
e
commit
|
commitdiff
|
tree
2020-06-24
Roland Schulz
Fix OpenCL i
n
stal
l
commit
|
commitdiff
|
tree
2020-06-24
Rolan
d
Sc
h
u
l
z
Fix clF
F
T build
w
ithout G
M
X
_LO
A
D_PLU
G
I
NS
commit
|
commitdiff
|
tree
2020-06-23
Rola
n
d Schulz
Don'
t
print pygments
e
r
ror
commit
|
commitdiff
|
tree
2020-05-11
Roland Sch
u
lz
Fix Clang Cuda flags
commit
|
commitdiff
|
tree
2020-05-11
Roland Schulz
Fix Clang
CUDA for Clang>=9
commit
|
commitdiff
|
tree
2020-04-28
Roland Schulz
Add clang W
A
commit
|
commitdiff
|
tree
2020-04-28
R
oland Schulz
Fix MSVC 2019 tes
t
failures
commit
|
commitdiff
|
tree
2020-04-25
Roland Schulz
Fix MSVC 2019 warnings
commit
|
commitdiff
|
tree
2020-01-08
Roland
S
chul
z
M
e
r
g
e
release-2019
i
n
t
o release-2
0
20
commit
|
commitdiff
|
tree
2020-01-07
Roland Sch
u
lz
Wo
r
karo
u
nd
f
or I
C
C
1
9u5 and 20init
i
a
l
commit
|
commitdiff
|
tree
2020-01-07
Roland Schul
z
Add supp
o
r
t
for
I
CC
N
ex
t
Gen with
MKL
commit
|
commitdiff
|
tree
2019-03-28
R
o
land Schulz
Fix UB vector usage
commit
|
commitdiff
|
tree
2019-03-27
Rola
n
d
Schulz
Fix U
B
vector u
s
age
commit
|
commitdiff
|
tree
2019-03-08
Ro
l
a
n
d
S
c
hulz
Fix ICC warnin
g
s
commit
|
commitdiff
|
tree
2019-03-01
Ro
l
and
Schulz
Improve documentat
i
on links
commit
|
commitdiff
|
tree
2019-02-19
Roland Sc
h
ulz
Add GMX_OCL_SHO
W
_
D
IAGNOS
T
ICS
env
o
p
tion
commit
|
commitdiff
|
tree
2019-02-19
Rol
a
nd Schulz
Impr
o
ve libstd++ han
d
ling
commit
|
commitdiff
|
tree
2019-02-11
Roland Sch
u
lz
Remove
Em
p
tyArrayRef
commit
|
commitdiff
|
tree
2019-02-08
Roland Schu
l
z
Fix sign warning
commit
|
commitdiff
|
tree
2019-02-07
Roland Schulz
R
e
v
e
rt size to b
e
u
ns
i
gned for
A
rray
R
e
f
commit
|
commitdiff
|
tree
2019-02-07
R
oland Schulz
A
dd ssize and remove
s
tat
i
c_casts
commit
|
commitdiff
|
tree
2019-02-04
R
o
l
and
Schulz
Rename al
l
source
file
s
from - to
_
for consi
s
t
ency
.
commit
|
commitdiff
|
tree
2019-02-04
Roland S
c
hu
l
z
Fix cma
k
e
policy warn
i
ng
commit
|
commitdiff
|
tree
2019-02-04
Roland
Schulz
Repl
a
c
e compa
t
:
:make_unique with s
t
d:
:
m
ake_unique
commit
|
commitdiff
|
tree
2019-02-02
Roland Schu
l
z
Fix Intel com
p
iler on
Win
d
ows b
u
ild
commit
|
commitdiff
|
tree
2019-02-02
Roland Schulz
Renamed
l
isted-forces
t
o
l
isted_fo
r
ce
s
commit
|
commitdiff
|
tree
2019-02-02
Rol
a
nd
Schulz
Remove r
e
l
i
ance on inconsiste
n
t cmake feature testing
commit
|
commitdiff
|
tree
2019-02-02
Roland
S
c
h
u
lz
Add recomm
e
ndation of how t
o
com
p
ile w
i
th MPI
commit
|
commitdiff
|
tree
2019-01-31
Roland Schulz
Fix c
l
fft
b
uild
commit
|
commitdiff
|
tree
2019-01-30
R
ola
n
d
S
chulz
Change all C to C
+
+ outside o
f
T
NG
commit
|
commitdiff
|
tree
2019-01-29
Roland S
c
hulz
Add cmake C++14 feature check
commit
|
commitdiff
|
tree
2019-01-28
Roland Schulz
Resolve C++14 TODOs
commit
|
commitdiff
|
tree
2019-01-26
R
ola
n
d Schulz
Fix clang warn
i
ng
commit
|
commitdiff
|
tree
2019-01-26
Rola
n
d
Schulz
Fix
misc clang warnings
commit
|
commitdiff
|
tree
2019-01-25
Rola
n
d
S
c
hulz
Require C++14
commit
|
commitdiff
|
tree
2019-01-25
Rol
a
nd Sch
u
lz
Work-
a
roun
d
fo
r
ICC
b
ug in
si
m
d-tests
commit
|
commitdiff
|
tree
2019-01-23
Roland Sc
h
ulz
Merge release
-
20
1
9 i
n
t
o
master
commit
|
commitdiff
|
tree
2019-01-23
Ro
l
and Schul
z
M
erge release-
2
018 into
release-2019
commit
|
commitdiff
|
tree
2019-01-23
Roland Schulz
Rename gmx Variant to Any
commit
|
commitdiff
|
tree
2019-01-23
Roland
S
chulz
Turn System
A
t
omIte
r
a
t
o
r
into proper iterator
commit
|
commitdiff
|
tree
2019-01-15
Roland
Schulz
Require cmake 3
.
9
.
6
commit
|
commitdiff
|
tree
2018-12-13
Roland Schulz
R
e
move unuse
d
MdrunCo
m
parisonFixture
commit
|
commitdiff
|
tree
2018-11-16
Roland Schulz
Merge re
l
ease
-
2019 into master
commit
|
commitdiff
|
tree
2018-10-09
Roland Schulz
Fix MSAN
errors
commit
|
commitdiff
|
tree
2018-10-08
Rol
a
n
d
Schulz
OCL:
A
dd const to
f
unction a
r
g
uments
commit
|
commitdiff
|
tree
2018-10-08
Roland
Schulz
Add OCL ke
r
n
el targ
e
t
commit
|
commitdiff
|
tree
2018-10-08
Roland Schulz
Fix OC
L
compiler warn
i
ngs
commit
|
commitdiff
|
tree
2018-10-08
Roland Sc
h
ulz
Remove majority of O
C
L command l
i
ne constants
commit
|
commitdiff
|
tree
2018-10-05
Ro
l
a
n
d Schulz
F
i
x mu
l
tiple bugs detected o
n
Windows
commit
|
commitdiff
|
tree
2018-10-05
Roland S
c
hulz
O
CL: Make variables const
commit
|
commitdiff
|
tree
2018-10-04
Roland
Schulz
Use subgroup fo
r
wa
r
p
_
any
and CJ4 prefet
c
h
commit
|
commitdiff
|
tree
2018-10-02
R
o
land Sc
h
ulz
Use subgroup s
h
uffle
for reduction
commit
|
commitdiff
|
tree
2018-10-02
Roland Schulz
N
a
r
row scope
o
f ICC compiler
w
ork-ar
o
und
commit
|
commitdiff
|
tree
2018-09-27
Roland Sch
u
lz
Recog
n
ize Intel GPU as
compat
i
b
l
e
commit
|
commitdiff
|
tree
2018-09-21
Roland Schulz
Fix clang
-
t
i
dy warnin
g
s for c
l
ang 7
commit
|
commitdiff
|
tree
2018-09-18
Rol
a
nd Schulz
Fi
x
bi
t
mask printing
commit
|
commitdiff
|
tree
2018-09-15
Rola
n
d Schulz
R
e
p
l
a
ce slave
with age
n
t
commit
|
commitdiff
|
tree
2018-09-14
R
o
l
a
nd
Schulz
Wa
r
n f
o
r
t
ype mismat
c
h
f
o
r gmx prin
t
f l
i
ke functions 3/
3
commit
|
commitdiff
|
tree
2018-09-13
R
o
l
a
nd Schulz
Remove spar
c
64_hpc_a
c
e no
n
bonded
k
ernels
commit
|
commitdiff
|
tree
2018-09-13
R
oland
S
c
hulz
Re
m
ove useless
comments
commit
|
commitdiff
|
tree
2018-09-12
R
o
l
and Schul
z
Warn for
t
yp
e
mismatch fo
r
g
mx pri
n
tf like func
t
ions 2/3
commit
|
commitdiff
|
tree
2018-09-12
Rol
a
nd Schulz
Add SSE2 + dou
b
le co
n
fig
commit
|
commitdiff
|
tree
2018-09-12
Roland Schu
l
z
Remove cpl
u
scpl
u
s i
f
de
f
s
commit
|
commitdiff
|
tree
2018-09-12
Roland Schul
z
F
i
x clang-t
i
dy
warn
i
n
g
s for OCL
commit
|
commitdiff
|
tree
2018-09-11
Roland S
c
h
ulz
Fix
S
SE4
.
1 a
f
ter cha
n
ge to C++
commit
|
commitdiff
|
tree
2018-09-11
Roland Schulz
Compile nonbonded kernels as C++
commit
|
commitdiff
|
tree
2018-09-10
Ro
l
a
nd Sc
h
ulz
Replac
e
rou
n
ding using
int(x+0
.
5) with round
T
o
In
t
commit
|
commitdiff
|
tree
2018-09-10
Roland Schulz
Add ro
u
nd
T
oInt
commit
|
commitdiff
|
tree
2018-09-07
R
o
land Sc
h
ulz
clang-tidy: overr
i
de
commit
|
commitdiff
|
tree
2018-09-07
Roland
Schulz
Simplif
y
Allocato
r
commit
|
commitdiff
|
tree
2018-09-06
Roland Schulz
HostAlloca
t
o
r
:
Rem
o
ve unne
c
essary template
commit
|
commitdiff
|
tree
2018-09-06
Roland S
c
hulz
Remove pin/un
p
i
n from Hos
t
Al
l
oc
a
tor
commit
|
commitdiff
|
tree
2018-09-06
Roland Schulz
C
ha
n
ge CanB
e
Pin
n
ed
t
o PinnedIfSupported
commit
|
commitdiff
|
tree
2018-09-05
Roland Sc
h
u
lz
Remove meta i
n
formati
o
n from host alloca
t
or policy
commit
|
commitdiff
|
tree
2018-09-03
Roland Schulz
Reduce duplicat
i
on in g
p
u
_ut
i
ls
commit
|
commitdiff
|
tree
2018-09-02
R
o
land Schulz
Turn D
l
b
State into sc
o
pe
d
enu
m
commit
|
commitdiff
|
tree
2018-08-29
Roland Schulz
Doc
u
ment clang-tidy libstdc
+
+
inc
o
mpatibili
t
y
commit
|
commitdiff
|
tree
2018-08-29
Roland
S
ch
u
lz
Use mor
e
con
s
t in har
d
wareto
p
ology
commit
|
commitdiff
|
tree
2018-08-29
Rol
a
nd Schulz
Fix clang-tidy b
u
ild w
i
th
l
i
b
stdc++ >=
7
commit
|
commitdiff
|
tree
2018-08-28
Roland
Schulz
Add hard li
m
it
f
or line length
commit
|
commitdiff
|
tree
2018-08-27
Roland Schu
l
z
Enable more clang-tidy
c
hecks for n
e
w code
commit
|
commitdiff
|
tree
2018-08-20
Roland Schulz
Remove macros in
u
tili
t
y
/
tests/ar
r
ayref
commit
|
commitdiff
|
tree
2018-08-19
Rola
n
d Schulz
F
i
x
s
imd-test
commit
|
commitdiff
|
tree
2018-08-18
Rola
n
d Schul
z
readabi
l
i
t
y
-
implicit-bool-conver
s
i
on 2/2
commit
|
commitdiff
|
tree
2018-08-18
R
oland Schulz
re
a
d
abi
l
i
ty-implici
t
-b
o
ol-co
n
version 1/2
commit
|
commitdiff
|
tree
2018-08-18
R
o
l
and Schulz
cl
a
ng-tid
y
modernize
commit
|
commitdiff
|
tree
2018-08-18
Roland Schul
z
c
l
an
g
-
tidy: google tests applicable
commit
|
commitdiff
|
tree
2018-08-18
Roland Schulz
Enabl
e
clang tidy
/
warnings for tests
commit
|
commitdiff
|
tree
2018-08-14
Rol
a
nd
S
chulz
Fix int/bool
b
ugs
commit
|
commitdiff
|
tree
2018-08-14
R
oland Sc
h
ulz
Remo
v
e
B
asicVector
.
as_vec
commit
|
commitdiff
|
tree
2018-08-13
Roland Sch
u
lz
Remove code duplication i
n
trajana/mod
u
l
e
s/trajectory
commit
|
commitdiff
|
tree
2018-08-13
Roland Schulz
Remove cppcheck
commit
|
commitdiff
|
tree
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