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Add tests for gmx mindist
2019-01-15
R
o
land Schu
l
z
R
equire
cmake 3
.
9
.
6
commit
|
commitdiff
|
tree
2018-12-13
Roland Schulz
Rem
o
v
e unused MdrunComparisonFixture
commit
|
commitdiff
|
tree
2018-11-16
Roland Schu
l
z
Merge re
l
ease
-
2019 into master
commit
|
commitdiff
|
tree
2018-10-09
R
oland Schulz
Fix MSAN errors
commit
|
commitdiff
|
tree
2018-10-08
Ro
l
and Schulz
OCL: Add
c
o
nst to fun
c
t
i
on
argument
s
commit
|
commitdiff
|
tree
2018-10-08
R
oland
S
chulz
Add OC
L
kernel
t
a
rget
commit
|
commitdiff
|
tree
2018-10-08
R
o
land Schulz
Fix OC
L
compiler wa
r
n
i
ngs
commit
|
commitdiff
|
tree
2018-10-08
Roland
S
chul
z
Remove major
i
ty of OC
L
com
m
and line c
o
nstants
commit
|
commitdiff
|
tree
2018-10-05
R
oland
Schul
z
F
i
x multiple bugs detected on Windows
commit
|
commitdiff
|
tree
2018-10-05
R
oland Schulz
O
C
L
: Make variables const
commit
|
commitdiff
|
tree
2018-10-04
Roland Schulz
Use subgroup for warp_any and CJ4 prefetch
commit
|
commitdiff
|
tree
2018-10-02
Rol
a
n
d
Schulz
Use subgrou
p
shuffle for reduction
commit
|
commitdiff
|
tree
2018-10-02
Ro
l
and Schulz
Narrow scope of ICC co
m
piler work-around
commit
|
commitdiff
|
tree
2018-09-27
Rol
a
nd Schulz
Recognize I
n
tel
GP
U
a
s
compatible
commit
|
commitdiff
|
tree
2018-09-21
Roland Schulz
Fix clang-tidy war
n
in
g
s
f
or clan
g
7
commit
|
commitdiff
|
tree
2018-09-18
Rolan
d
Sch
u
lz
Fix bitma
s
k printing
commit
|
commitdiff
|
tree
2018-09-15
Roland Schulz
Rep
l
ace slave with agent
commit
|
commitdiff
|
tree
2018-09-14
Roland Schulz
Warn for type m
i
smatch
fo
r
gmx
p
r
i
ntf li
k
e func
t
i
ons 3/3
commit
|
commitdiff
|
tree
2018-09-13
Roland Schu
l
z
Remove sparc64_hpc_ace
n
onb
o
nded ke
r
n
els
commit
|
commitdiff
|
tree
2018-09-13
Rola
n
d Sch
u
lz
Rem
o
ve use
l
ess com
m
e
n
ts
commit
|
commitdiff
|
tree
2018-09-12
Ro
l
and Schulz
War
n
f
o
r
type mismatch for gmx printf l
i
ke f
u
nctions 2/3
commit
|
commitdiff
|
tree
2018-09-12
Roland Schulz
Add SSE2 + dou
b
le confi
g
commit
|
commitdiff
|
tree
2018-09-12
Roland Schulz
Remove cp
l
usc
p
lus
ifde
f
s
commit
|
commitdiff
|
tree
2018-09-12
Roland
S
chulz
Fix c
l
ang-tidy war
n
in
g
s f
o
r OCL
commit
|
commitdiff
|
tree
2018-09-11
R
oland Schul
z
Fix SSE4
.
1 after change to C++
commit
|
commitdiff
|
tree
2018-09-11
Ro
l
and Sc
h
ul
z
Compile
nonbonded
kernel
s
as
C++
commit
|
commitdiff
|
tree
2018-09-10
Rol
a
n
d Schulz
Replace roundi
n
g us
i
ng in
t
(x+0
.
5) wi
t
h r
o
u
n
dToInt
commit
|
commitdiff
|
tree
2018-09-10
R
o
land Schulz
Add roundToInt
commit
|
commitdiff
|
tree
2018-09-07
R
ola
n
d Sc
h
ul
z
clang-tidy: overri
d
e
commit
|
commitdiff
|
tree
2018-09-07
Roland Schulz
Simplify Allocat
o
r
commit
|
commitdiff
|
tree
2018-09-06
Rol
a
nd
Schulz
HostAl
l
ocat
o
r:
Remove unnecessary t
e
mplate
commit
|
commitdiff
|
tree
2018-09-06
R
o
land
Schulz
R
e
m
ove pin/
u
np
i
n from HostAllocato
r
commit
|
commitdiff
|
tree
2018-09-06
Rolan
d
S
chu
l
z
Change CanBeP
i
nned to Pin
n
edIfSup
p
orted
commit
|
commitdiff
|
tree
2018-09-05
R
o
lan
d
Schul
z
Rem
o
ve
m
eta
info
r
mation
from host al
l
ocator policy
commit
|
commitdiff
|
tree
2018-09-03
R
ola
n
d
Sc
h
ulz
Reduce
duplic
a
tion
in gpu_
u
tils
commit
|
commitdiff
|
tree
2018-09-02
Rola
n
d
Schulz
Turn DlbState
i
nto scoped enum
commit
|
commitdiff
|
tree
2018-08-29
Rol
a
n
d Schulz
D
oc
u
ment cl
a
n
g
-ti
d
y l
i
bstdc++ incompa
t
ibility
commit
|
commitdiff
|
tree
2018-08-29
Roland Schulz
Use more const in hard
w
aretopology
commit
|
commitdiff
|
tree
2018-08-29
Rola
n
d Sc
h
ulz
Fix cla
n
g-tidy b
u
ild with libstdc++
>
= 7
commit
|
commitdiff
|
tree
2018-08-28
Roland
S
chulz
Add h
a
r
d limit for line l
e
ngth
commit
|
commitdiff
|
tree
2018-08-27
Roland Sch
u
lz
Enable more clang-tidy che
c
ks for
n
e
w code
commit
|
commitdiff
|
tree
2018-08-20
Rol
a
nd Sc
h
ulz
Rem
o
ve
macr
o
s in u
t
ility/te
s
t
s/arrayref
commit
|
commitdiff
|
tree
2018-08-19
Roland S
c
hulz
Fix simd-test
commit
|
commitdiff
|
tree
2018-08-18
Roland
S
c
h
ul
z
rea
d
ability-implici
t
-bool-con
v
ersi
o
n 2/2
commit
|
commitdiff
|
tree
2018-08-18
R
o
l
and Sch
u
lz
readability-implicit-bo
o
l-conversion 1/2
commit
|
commitdiff
|
tree
2018-08-18
Roland
S
ch
u
lz
clan
g
-tidy modernize
commit
|
commitdiff
|
tree
2018-08-18
Rolan
d
Schulz
clang-tidy:
g
oogle tests app
l
ica
b
le
commit
|
commitdiff
|
tree
2018-08-18
Rola
n
d Schulz
Enable clang tidy/warnings
for t
e
s
ts
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Fix
int/bool bugs
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Re
m
o
ve B
a
sicVec
t
or
.
a
s_vec
commit
|
commitdiff
|
tree
2018-08-13
Rola
n
d S
c
hulz
Rem
o
ve
c
od
e
duplication in t
r
a
jana/mod
u
les/tr
a
jecto
r
y
commit
|
commitdiff
|
tree
2018-08-13
Roland Schulz
Remove cppcheck
commit
|
commitdiff
|
tree
2018-08-13
Roland Sch
u
lz
F
i
x MSD
commit
|
commitdiff
|
tree
2018-08-12
Rol
a
nd
S
chulz
3/3 of old-style casting
commit
|
commitdiff
|
tree
2018-08-12
Roland Schulz
Add _
r
e
a
l user
d
efined l
i
teral
commit
|
commitdiff
|
tree
2018-08-11
R
o
land
Schul
z
Enable clang-tidy for headers
commit
|
commitdiff
|
tree
2018-08-10
Ro
l
and Schul
z
Avoi
d
using global variables
i
n pro
g
rams
commit
|
commitdiff
|
tree
2018-08-08
Roland Schulz
2
/
3
o
f old-style casting
commit
|
commitdiff
|
tree
2018-08-08
R
o
l
and S
c
hulz
F
i
x part
of
old-st
y
le
c
as
t
i
n
g
commit
|
commitdiff
|
tree
2018-08-08
R
o
land Sc
h
ulz
Remo
v
e g
m
x
custom
fixed int (e
.
g
.
gmx_i
n
t64_t) types
commit
|
commitdiff
|
tree
2018-08-07
Roland Sc
h
u
l
z
Fix
cl
a
ng-t
i
dy MPI
w
a
rn
i
ng
s
commit
|
commitdiff
|
tree
2018-08-06
Roland Schulz
Change gmx_bo
o
l
from
i
nt
to bool
commit
|
commitdiff
|
tree
2018-08-06
Roland Schulz
Disable FPE
f
or GCC 7
.
* wi
t
h
o
p
timizations
commit
|
commitdiff
|
tree
2018-08-04
Ro
l
a
n
d Schulz
clang-ti
d
y: modernize make
-
uni
q
ue
/
share
d
commit
|
commitdiff
|
tree
2018-07-30
Roland
S
c
h
ulz
Disable FPE
s
a
t end of runner
commit
|
commitdiff
|
tree
2018-07-16
Roland Schulz
Fix Win
d
ows+I
n
tel
commit
|
commitdiff
|
tree
2018-07-16
Roland Schulz
Wa
r
n
for type mi
s
match
f
o
r gmx
pri
n
tf like functi
o
n
s 1/3
commit
|
commitdiff
|
tree
2018-07-16
Roland Schulz
Ena
b
le d
e
b
u
g FP
e
xceptio
n
s w
i
thout TPI, not with TPI
commit
|
commitdiff
|
tree
2018-07-14
Roland
Schulz
MSVC: enable code
a
nalysis
commit
|
commitdiff
|
tree
2018-07-12
Roland Schul
z
Fix clang-tidy cmake messages
commit
|
commitdiff
|
tree
2018-07-12
Ro
l
and
Sc
h
ulz
Fix attribute usage
commit
|
commitdiff
|
tree
2018-07-12
Ro
l
an
d
Sc
h
ulz
Temporary disable armhpc
-
1
8
.
2
commit
|
commitdiff
|
tree
2018-07-12
R
ol
a
n
d Schulz
Require ICC 17
.
0
.
1
commit
|
commitdiff
|
tree
2018-07-11
Roland Schulz
clang: undefi
n
ed
-
rein
t
erpr
e
t
-cast, com
m
a
,
e
x
tr
a
-semi
commit
|
commitdiff
|
tree
2018-07-11
Roland Schulz
Fix cust
o
m build types with c
m
ak
e
3
.
11
commit
|
commitdiff
|
tree
2018-07-11
R
ola
n
d Schulz
Clang warnin
g
s
commit
|
commitdiff
|
tree
2018-07-10
R
o
land Schulz
Clang warnings: unreachable
commit
|
commitdiff
|
tree
2018-07-06
R
o
land S
c
hulz
Fix
A
VX_512_KNL
commit
|
commitdiff
|
tree
2018-07-05
Roland Sch
u
lz
Fix compil
e
r warnings in OCL
commit
|
commitdiff
|
tree
2018-07-04
Roland
S
chulz
M
er
g
e rel
e
ase-2
0
1
8
into mas
t
er
commit
|
commitdiff
|
tree
2018-07-04
Roland Schulz
E
nabl
e
more warn
i
ngs for Clang 6
commit
|
commitdiff
|
tree
2018-07-04
Roland Schulz
Fix ManageLmfit
commit
|
commitdiff
|
tree
2018-07-03
R
o
land
S
chulz
Fix post-
s
ub
m
it issues
commit
|
commitdiff
|
tree
2018-07-03
Roland S
c
hulz
Change Array
R
ef::
s
iz
e
_type
to signed
commit
|
commitdiff
|
tree
2018-07-03
R
ola
n
d
Schulz
clang-tidy: misc-misplaced-widening
-
cast
commit
|
commitdiff
|
tree
2018-07-03
Roland Schulz
clan
g
-tidy: misc-misplaced-const
commit
|
commitdiff
|
tree
2018-07-03
Roland Schulz
cl
a
ng-ti
d
y: more
mis
c
+readability
commit
|
commitdiff
|
tree
2018-07-01
Rol
a
n
d
Schulz
En
a
ble c
l
ang-t
i
dy
NullDere
f
ere
n
ce
commit
|
commitdiff
|
tree
2018-07-01
Ro
l
and
Sc
h
ulz
clang-tidy
:
readability
-
non-const-
p
ara
m
ete
r
(2/2)
commit
|
commitdiff
|
tree
2018-06-30
Ro
l
and
S
c
h
ulz
c
l
an
g
-tidy:
misc-string-
c
o
mpa
r
e+pe
r
f-
v
alue-param
commit
|
commitdiff
|
tree
2018-06-29
Ro
l
and Schul
z
cl
a
ng-tidy
:
readability-non-const-parameter (1/2)
commit
|
commitdiff
|
tree
2018-06-29
Rol
a
nd Schulz
clang-tidy: misc-
s
uspicious-miss
i
ng-comma
commit
|
commitdiff
|
tree
2018-06-29
Roland
S
c
hulz
cl
a
ng-tidy: add moder
n
ize nu
l
lp
t
r & emplac
e
commit
|
commitdiff
|
tree
2018-06-29
R
oland Schulz
cl
a
n
g
-t
i
dy: readibi
l
ity redundant
commit
|
commitdiff
|
tree
2018-06-29
Roland Schulz
clang-tidy: misleading
-
indentati
o
n+noexcept-move
commit
|
commitdiff
|
tree
2018-06-29
R
oland Schulz
clang-
t
idy:
E
nable b
u
gpro
n
e-integer-division
commit
|
commitdiff
|
tree
2018-06-29
Roland Sc
h
ulz
Add clang-tidy to
pre-s
u
bmit
commit
|
commitdiff
|
tree
2018-06-28
Rol
a
nd Schul
z
clang-tid
y
: 4
readab
i
lity checks
commit
|
commitdiff
|
tree
2018-06-28
Rolan
d
Schul
z
clang-ti
d
y: performance
-
ty
p
e
-
pr
o
mo
t
i
o
n-in-m
a
th-fn
commit
|
commitdiff
|
tree
2018-06-28
R
o
land Schulz
Clang-tidy: en
a
ble further
t
e
s
t
s
commit
|
commitdiff
|
tree
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