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Remove unnecessary #if GMX_MPI in pme code
2019-03-28
Roland Sch
u
lz
Fix UB
vector usag
e
commit
|
commitdiff
|
tree
2019-03-01
Roland Schul
z
Improve
documenta
t
ion
links
commit
|
commitdiff
|
tree
2019-02-19
Roland Schulz
Add GMX_OCL_SH
O
W_DIAGNO
S
TICS env opt
i
on
commit
|
commitdiff
|
tree
2019-02-19
Roland Schulz
Improve libstd++ hand
l
i
n
g
commit
|
commitdiff
|
tree
2019-02-11
Roland Schulz
Remove EmptyArrayRef
commit
|
commitdiff
|
tree
2019-02-08
Ro
l
and Schulz
Fix sign wa
r
ning
commit
|
commitdiff
|
tree
2019-02-07
Rol
a
n
d Schul
z
Rever
t
size to be unsigned for Arr
a
yRef
commit
|
commitdiff
|
tree
2019-02-07
Ro
l
a
n
d
S
chulz
Add ssize and
r
e
m
ov
e
static_casts
commit
|
commitdiff
|
tree
2019-02-04
R
oland
S
chul
z
Rename all s
o
u
rc
e
fil
e
s from
-
to _
for consist
e
ncy
.
commit
|
commitdiff
|
tree
2019-02-04
Ro
l
and Sc
h
ulz
Fix cm
a
ke
policy warn
i
ng
commit
|
commitdiff
|
tree
2019-02-04
Roland Schulz
R
epl
a
ce compat::m
a
ke_unique with std::make
_
unique
commit
|
commitdiff
|
tree
2019-02-02
Roland
Schu
l
z
Fix Inte
l
compiler on Windows bui
l
d
commit
|
commitdiff
|
tree
2019-02-02
R
oland S
c
hulz
R
e
named listed-f
o
rces
t
o
listed_forces
commit
|
commitdiff
|
tree
2019-02-02
Rola
n
d Schul
z
Remove reliance on inc
o
ns
i
s
t
ent
c
mak
e
feature t
e
s
ting
commit
|
commitdiff
|
tree
2019-02-02
Roland Schulz
Ad
d
recomm
e
ndatio
n
of how to co
m
pile with MP
I
commit
|
commitdiff
|
tree
2019-01-31
Roland Schulz
Fix clf
f
t bui
l
d
commit
|
commitdiff
|
tree
2019-01-30
Roland Schulz
Chang
e
all C to C+
+
o
u
tside
o
f TNG
commit
|
commitdiff
|
tree
2019-01-29
Rola
n
d
Schulz
A
d
d
cmake C+
+
14 feature
c
hec
k
commit
|
commitdiff
|
tree
2019-01-28
Roland
Sc
h
ulz
Reso
l
ve C++
1
4 TODO
s
commit
|
commitdiff
|
tree
2019-01-26
R
ol
a
nd Schulz
Fi
x
c
l
a
n
g w
a
rning
commit
|
commitdiff
|
tree
2019-01-26
Ro
l
and S
c
h
u
lz
Fix misc clang warni
n
gs
commit
|
commitdiff
|
tree
2019-01-25
Rolan
d
Sc
h
ulz
Require C++1
4
commit
|
commitdiff
|
tree
2019-01-25
Rol
a
nd Schulz
Wo
r
k-around for ICC bug
i
n s
i
md-
t
ests
commit
|
commitdiff
|
tree
2019-01-23
Ro
l
a
nd Schulz
Merge rele
a
s
e-
2
019
i
nto master
commit
|
commitdiff
|
tree
2019-01-23
Roland Schulz
Merge rele
a
se-2
0
18 into
relea
s
e-2019
commit
|
commitdiff
|
tree
2019-01-23
R
oland
Schulz
Re
n
ame gmx Variant to Any
commit
|
commitdiff
|
tree
2019-01-23
Roland Schulz
Turn SystemAto
m
It
e
r
ator into prope
r
it
e
rator
commit
|
commitdiff
|
tree
2019-01-15
Roland
Schulz
R
e
quire cmake 3
.
9
.
6
commit
|
commitdiff
|
tree
2018-12-13
Roland Sc
h
ulz
R
emove unuse
d
Mdr
u
n
C
o
m
parison
F
ixture
commit
|
commitdiff
|
tree
2018-11-16
Roland Schulz
Mer
g
e release-2019 into master
commit
|
commitdiff
|
tree
2018-10-09
R
o
land
Schulz
Fix MSA
N
errors
commit
|
commitdiff
|
tree
2018-10-08
R
oland Schulz
O
C
L: A
d
d c
o
nst to f
u
nctio
n
arg
u
ments
commit
|
commitdiff
|
tree
2018-10-08
Roland Schulz
Add OCL k
e
rnel targ
e
t
commit
|
commitdiff
|
tree
2018-10-08
Rol
a
nd
S
c
h
ulz
Fi
x
OCL
compil
e
r
w
a
r
n
ings
commit
|
commitdiff
|
tree
2018-10-08
R
oland Sch
u
lz
Remove majority of OCL command line constants
commit
|
commitdiff
|
tree
2018-10-05
Ro
l
and Schulz
Fix
multiple bugs
dete
c
ted on Windows
commit
|
commitdiff
|
tree
2018-10-05
Roland Schulz
OCL: Make variables const
commit
|
commitdiff
|
tree
2018-10-04
R
o
l
a
nd Schulz
Use subgro
u
p for warp_any
a
n
d CJ4 prefetc
h
commit
|
commitdiff
|
tree
2018-10-02
R
o
land
S
c
h
ul
z
Use subgroup shuffle for
r
eduction
commit
|
commitdiff
|
tree
2018-10-02
Rola
n
d
Schulz
Na
r
r
o
w
scope of ICC compiler work-aroun
d
commit
|
commitdiff
|
tree
2018-09-27
Roland
Schul
z
R
e
cognize Inte
l
GPU a
s
com
p
atible
commit
|
commitdiff
|
tree
2018-09-21
Roland Sch
u
lz
Fix clang-tidy warnings for cl
a
ng 7
commit
|
commitdiff
|
tree
2018-09-18
Ro
l
and Schulz
Fix bitmask printing
commit
|
commitdiff
|
tree
2018-09-15
Roland Schulz
Replace slave wit
h
a
gent
commit
|
commitdiff
|
tree
2018-09-14
Rolan
d
Sc
h
ulz
Warn
for type mismatch for gmx printf
l
i
ke functions 3/3
commit
|
commitdiff
|
tree
2018-09-13
Roland
S
chulz
Rem
o
ve s
p
arc64_
h
pc_ace nonbo
n
ded ke
r
nels
commit
|
commitdiff
|
tree
2018-09-13
Roland
Schulz
Remove useless comme
n
ts
commit
|
commitdiff
|
tree
2018-09-12
Roland Schulz
Warn fo
r
t
y
pe mis
m
atch for gm
x
p
r
intf like functions
2
/
3
commit
|
commitdiff
|
tree
2018-09-12
Ro
l
a
nd Schulz
Add
SSE2 + do
u
ble config
commit
|
commitdiff
|
tree
2018-09-12
Ro
l
an
d
Sc
h
ulz
Remove cpluscplus ifdefs
commit
|
commitdiff
|
tree
2018-09-12
Roland Schul
z
Fix cl
a
ng-ti
d
y war
n
i
n
gs for OCL
commit
|
commitdiff
|
tree
2018-09-11
R
o
l
and Schulz
Fix
S
SE4
.
1 aft
e
r change
to
C
++
commit
|
commitdiff
|
tree
2018-09-11
Roland Schulz
Compile nonbonded ker
n
e
ls as C++
commit
|
commitdiff
|
tree
2018-09-10
Rolan
d
Schulz
Replac
e
rounding using int(
x
+0
.
5) w
i
th roundToInt
commit
|
commitdiff
|
tree
2018-09-10
Roland
Sch
u
lz
Add roundTo
I
n
t
commit
|
commitdiff
|
tree
2018-09-07
Roland Schulz
clang-tidy
:
over
r
ide
commit
|
commitdiff
|
tree
2018-09-07
Roland
S
chulz
Simplif
y
A
llocator
commit
|
commitdiff
|
tree
2018-09-06
Roland Schulz
H
ostAllocator: Remove unne
c
essary t
e
m
p
la
t
e
commit
|
commitdiff
|
tree
2018-09-06
Roland Sc
h
ul
z
Re
m
ov
e
pin/unpin
f
r
om Ho
s
t
A
llo
c
ato
r
commit
|
commitdiff
|
tree
2018-09-06
R
o
l
a
nd
Schulz
Change CanBePi
n
ned to PinnedIfSupported
commit
|
commitdiff
|
tree
2018-09-05
Roland Sc
h
ulz
Remove meta information from host a
l
locator policy
commit
|
commitdiff
|
tree
2018-09-03
R
olan
d
Schulz
Reduce duplication in gpu_u
t
ils
commit
|
commitdiff
|
tree
2018-09-02
R
o
land S
c
hulz
Turn
DlbState into
scop
e
d
e
n
u
m
commit
|
commitdiff
|
tree
2018-08-29
Roland Schulz
Documen
t
clang-ti
d
y libstdc++ incom
p
ati
b
ili
t
y
commit
|
commitdiff
|
tree
2018-08-29
Roland Schulz
Use
m
ore const in ha
r
dwa
r
eto
p
ology
commit
|
commitdiff
|
tree
2018-08-29
Roland
Schulz
Fix c
l
ang-tid
y
build with libstdc++ >= 7
commit
|
commitdiff
|
tree
2018-08-28
Rol
a
nd
Schulz
Add hard limit
f
o
r line
le
n
gth
commit
|
commitdiff
|
tree
2018-08-27
Ro
l
a
nd Schu
l
z
E
nable more
cl
a
ng
-
tidy
c
hecks f
o
r new cod
e
commit
|
commitdiff
|
tree
2018-08-20
Rola
n
d Schulz
Remove macros in
u
t
i
li
t
y/tes
t
s/ar
r
a
y
ref
commit
|
commitdiff
|
tree
2018-08-19
Roland Sc
h
u
l
z
Fix
s
imd-test
commit
|
commitdiff
|
tree
2018-08-18
R
o
land Schulz
r
e
adability-implicit-bool-conversion 2/2
commit
|
commitdiff
|
tree
2018-08-18
R
oland Schulz
readability-implicit-boo
l
-conversion 1
/
2
commit
|
commitdiff
|
tree
2018-08-18
Roland Schulz
clang-tidy modernize
commit
|
commitdiff
|
tree
2018-08-18
R
o
land Schulz
c
lang-tidy: google tests applica
b
l
e
commit
|
commitdiff
|
tree
2018-08-18
Roland Schul
z
Enable clang
t
idy/w
a
rning
s
for tests
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
F
i
x int/
b
ool bugs
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Remove BasicVector
.
as_vec
commit
|
commitdiff
|
tree
2018-08-13
Ro
l
and Schulz
Remove
code d
u
plicatio
n
in trajan
a
/
mod
u
les
/
tr
a
jectory
commit
|
commitdiff
|
tree
2018-08-13
Rol
a
n
d
S
chul
z
Remove
c
ppcheck
commit
|
commitdiff
|
tree
2018-08-13
Roland
S
c
h
u
lz
Fix MSD
commit
|
commitdiff
|
tree
2018-08-12
Rol
a
n
d Schulz
3/3 of old-st
y
le casting
commit
|
commitdiff
|
tree
2018-08-12
Roland Schulz
A
dd _rea
l
user defined
l
iteral
commit
|
commitdiff
|
tree
2018-08-11
Roland Schulz
Enable clang-tid
y
for hea
d
ers
commit
|
commitdiff
|
tree
2018-08-10
Roland Sch
u
lz
Avoi
d
using global var
i
ables in programs
commit
|
commitdiff
|
tree
2018-08-08
R
o
land
S
chulz
2/3
of old-styl
e
casting
commit
|
commitdiff
|
tree
2018-08-08
Roland Schul
z
Fix part of ol
d
-sty
l
e casting
commit
|
commitdiff
|
tree
2018-08-08
Rola
n
d Schulz
Remove gmx
cust
o
m fixed int (e
.
g
.
gmx_int64_t) types
commit
|
commitdiff
|
tree
2018-08-07
Roland Schul
z
F
ix
cla
n
g-tidy MPI warnings
commit
|
commitdiff
|
tree
2018-08-06
Roland Schulz
Change gmx_bool from i
n
t
to
b
ool
commit
|
commitdiff
|
tree
2018-08-06
Roland Schulz
Disable
F
PE for
G
CC 7
.
*
w
i
th
o
pti
m
iz
a
t
i
ons
commit
|
commitdiff
|
tree
2018-08-04
R
oland Schulz
clan
g
-tidy: moderni
z
e make
-
uniq
u
e/share
d
commit
|
commitdiff
|
tree
2018-07-30
Rol
a
nd Sc
h
ul
z
Disable FPEs at
e
n
d o
f
runner
commit
|
commitdiff
|
tree
2018-07-16
Rolan
d
Sch
u
lz
F
i
x
W
indows+Intel
commit
|
commitdiff
|
tree
2018-07-16
Ro
l
a
nd Schulz
Warn for type misma
t
ch for gmx pr
i
ntf like
functions 1/3
commit
|
commitdiff
|
tree
2018-07-16
R
oland Schul
z
Enable debug F
P
ex
c
eptions without TPI, not with
TPI
commit
|
commitdiff
|
tree
2018-07-14
Rol
a
nd
S
chulz
MSVC: enable code analysis
commit
|
commitdiff
|
tree
2018-07-12
Roland Schulz
Fix c
l
a
n
g
-
t
i
dy cm
a
ke messages
commit
|
commitdiff
|
tree
2018-07-12
Roland Schulz
Fix attribute usage
commit
|
commitdiff
|
tree
2018-07-12
R
o
land Schul
z
Tem
p
o
r
ar
y
disable arm
h
p
c-18
.
2
commit
|
commitdiff
|
tree
2018-07-12
R
o
l
a
nd S
c
h
u
lz
Requ
i
re
I
CC 17
.
0
.
1
commit
|
commitdiff
|
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