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Simplify PME GPU constants
2020-01-08
Roland
Schulz
M
erge
release
-
2019 into r
e
lease-2020
commit
|
commitdiff
|
tree
2020-01-07
Roland Schulz
Workaround for
ICC 1
9
u5 and 20in
i
tial
commit
|
commitdiff
|
tree
2020-01-07
Roland Sch
u
lz
Add s
u
pp
o
r
t for IC
C
NextGen wit
h
MKL
commit
|
commitdiff
|
tree
2019-03-28
Ro
l
and
Schulz
Fix U
B
vector usage
commit
|
commitdiff
|
tree
2019-03-27
Roland Schulz
Fix UB ve
c
tor usage
commit
|
commitdiff
|
tree
2019-03-08
R
o
land
Schul
z
Fix ICC wa
r
n
i
ngs
commit
|
commitdiff
|
tree
2019-03-01
R
oland Schulz
Improve
d
ocum
e
ntatio
n
links
commit
|
commitdiff
|
tree
2019-02-19
Roland Schulz
Ad
d
GMX
_
OCL_SHOW_D
I
AGNOSTICS e
n
v option
commit
|
commitdiff
|
tree
2019-02-19
Rolan
d
Schul
z
Improve libstd++ ha
n
dling
commit
|
commitdiff
|
tree
2019-02-11
R
o
land Schulz
R
e
move EmptyArrayRef
commit
|
commitdiff
|
tree
2019-02-08
Roland Schulz
Fix
s
ign
warning
commit
|
commitdiff
|
tree
2019-02-07
Ro
l
an
d
S
c
hulz
Revert size to be unsigned for ArrayR
e
f
commit
|
commitdiff
|
tree
2019-02-07
Roland Sc
h
ulz
A
dd ssize
a
n
d
r
emo
v
e
s
ta
t
ic_casts
commit
|
commitdiff
|
tree
2019-02-04
R
o
land Schulz
Rena
m
e
all s
o
urce
file
s
fr
o
m
-
to _ for consistency
.
commit
|
commitdiff
|
tree
2019-02-04
Ro
l
and Schul
z
Fix cma
k
e
p
o
licy warning
commit
|
commitdiff
|
tree
2019-02-04
Ro
l
and Schulz
Replace
c
o
m
pat::make_unique with
s
td::make_unique
commit
|
commitdiff
|
tree
2019-02-02
R
o
l
and S
c
hu
l
z
Fix Intel co
m
piler on
Windo
w
s
build
commit
|
commitdiff
|
tree
2019-02-02
Roland Schul
z
Renamed
listed-forces to listed_forces
commit
|
commitdiff
|
tree
2019-02-02
Roland Schulz
Remov
e
r
e
liance on i
n
c
o
nsi
s
tent
cmake feature testi
n
g
commit
|
commitdiff
|
tree
2019-02-02
Roland Schulz
Add recommend
a
tion of
how to c
o
m
pile with MP
I
commit
|
commitdiff
|
tree
2019-01-31
Roland
Schulz
Fix clfft build
commit
|
commitdiff
|
tree
2019-01-30
Ro
l
and Schulz
C
hange all C
t
o
C+
+
outside
o
f TNG
commit
|
commitdiff
|
tree
2019-01-29
Ro
l
and Schulz
Add
c
make C++14 featur
e
ch
e
ck
commit
|
commitdiff
|
tree
2019-01-28
Roland Sch
u
lz
Reso
l
v
e
C
++14 T
O
DOs
commit
|
commitdiff
|
tree
2019-01-26
Roland Sch
u
l
z
Fix clang warning
commit
|
commitdiff
|
tree
2019-01-26
Rola
n
d
Schulz
Fix mi
s
c clang w
a
rnings
commit
|
commitdiff
|
tree
2019-01-25
Roland Sc
h
u
l
z
R
e
quire C
+
+1
4
commit
|
commitdiff
|
tree
2019-01-25
R
o
land
S
ch
u
lz
W
ork-around
f
or ICC bug i
n
simd-tes
t
s
commit
|
commitdiff
|
tree
2019-01-23
Roland Schulz
M
e
rge
release-2019 into master
commit
|
commitdiff
|
tree
2019-01-23
Rol
a
nd S
c
hulz
Me
r
g
e release-2018 into release-2019
commit
|
commitdiff
|
tree
2019-01-23
Roland Schulz
Re
n
ame gmx Variant t
o
Any
commit
|
commitdiff
|
tree
2019-01-23
R
o
l
a
nd Schul
z
Turn Syste
m
AtomIterator into proper i
t
era
t
or
commit
|
commitdiff
|
tree
2019-01-15
Ro
l
and S
c
h
ulz
R
equ
i
re cmake 3
.
9
.
6
commit
|
commitdiff
|
tree
2018-12-13
Roland Schulz
Rem
o
ve unused Md
r
unCompar
i
s
o
nF
i
xture
commit
|
commitdiff
|
tree
2018-11-16
Roland Schulz
Merge rele
a
se-2019 into
ma
s
te
r
commit
|
commitdiff
|
tree
2018-10-09
Roland Schulz
Fix MS
A
N error
s
commit
|
commitdiff
|
tree
2018-10-08
Rol
a
nd Schulz
OCL: Add co
n
st to f
u
nction a
r
guments
commit
|
commitdiff
|
tree
2018-10-08
Roland Schulz
Add OCL ker
n
el target
commit
|
commitdiff
|
tree
2018-10-08
Roland Sch
u
lz
F
i
x
O
C
L
c
ompiler warning
s
commit
|
commitdiff
|
tree
2018-10-08
R
ol
a
nd S
c
h
u
lz
Remove maj
o
rit
y
o
f OCL command line
c
o
n
st
a
nts
commit
|
commitdiff
|
tree
2018-10-05
Roland
Schulz
Fix multiple bugs detecte
d
on Windows
commit
|
commitdiff
|
tree
2018-10-05
Roland Schul
z
O
CL:
M
ake variables con
s
t
commit
|
commitdiff
|
tree
2018-10-04
R
oland
S
chu
l
z
Us
e
subgroup f
o
r
warp_any and CJ4
p
refetc
h
commit
|
commitdiff
|
tree
2018-10-02
Roland Schulz
Use subgroup shuffle for reduction
commit
|
commitdiff
|
tree
2018-10-02
Roland Sc
h
ulz
N
a
r
r
ow scope of ICC compiler w
o
rk-a
r
ound
commit
|
commitdiff
|
tree
2018-09-27
R
o
land Schulz
Recog
n
ize Intel
GPU as compatible
commit
|
commitdiff
|
tree
2018-09-21
Ro
l
and Sc
h
ulz
Fix cl
a
ng-tidy warnings for c
l
ang 7
commit
|
commitdiff
|
tree
2018-09-18
Ro
l
a
nd S
c
hulz
Fix
bitmask
p
r
i
ntin
g
commit
|
commitdiff
|
tree
2018-09-15
Ro
l
and Schulz
Replace sl
a
ve with a
g
en
t
commit
|
commitdiff
|
tree
2018-09-14
Roland S
c
hulz
Warn for
type mismatch for gmx printf like
functions 3/3
commit
|
commitdiff
|
tree
2018-09-13
Rolan
d
Schul
z
Remove sp
a
rc64_hpc
_
ace
n
onbo
n
ded kernels
commit
|
commitdiff
|
tree
2018-09-13
Roland Sch
u
lz
Remove useless comments
commit
|
commitdiff
|
tree
2018-09-12
Roland Schulz
W
a
r
n for t
y
pe
m
is
m
atch for gmx printf li
k
e functions 2/3
commit
|
commitdiff
|
tree
2018-09-12
Roland S
c
hulz
Add
S
SE
2
+ double config
commit
|
commitdiff
|
tree
2018-09-12
Rol
a
nd Schu
l
z
Remove cplus
c
plus if
d
efs
commit
|
commitdiff
|
tree
2018-09-12
Roland
Schulz
Fix
c
lan
g
-tidy war
n
ings for
OCL
commit
|
commitdiff
|
tree
2018-09-11
R
ol
a
nd Schulz
Fix SSE4
.
1
afte
r
change to
C
++
commit
|
commitdiff
|
tree
2018-09-11
R
o
land Schulz
Compile nonbonded
ker
n
els as C+
+
commit
|
commitdiff
|
tree
2018-09-10
Roland Schulz
Replace
roundi
n
g
u
s
i
ng
i
nt(x
+
0
.
5) with ro
u
ndToInt
commit
|
commitdiff
|
tree
2018-09-10
Roland Schulz
Add roundToInt
commit
|
commitdiff
|
tree
2018-09-07
Rola
n
d Schulz
clang-tidy
:
overr
i
de
commit
|
commitdiff
|
tree
2018-09-07
R
o
l
a
nd Schulz
Si
m
pli
f
y Allocator
commit
|
commitdiff
|
tree
2018-09-06
Rola
n
d Schulz
HostAllocator
:
Remove unnec
e
s
s
a
r
y template
commit
|
commitdiff
|
tree
2018-09-06
R
o
l
and Schulz
Remove pin/
u
npin from HostAllocator
commit
|
commitdiff
|
tree
2018-09-06
R
oland Sch
u
lz
Change CanBePinned to
PinnedIfSupported
commit
|
commitdiff
|
tree
2018-09-05
Rolan
d
S
chulz
R
e
m
o
v
e meta informa
t
ion from host allocator policy
commit
|
commitdiff
|
tree
2018-09-03
R
o
land
Schulz
Re
d
uce duplicati
o
n in gpu_utils
commit
|
commitdiff
|
tree
2018-09-02
Ro
l
and Sch
u
l
z
T
u
r
n
DlbState into sco
p
ed
enum
commit
|
commitdiff
|
tree
2018-08-29
Roland
Schulz
Document cl
a
ng-tidy
l
i
b
stdc++
i
ncompatibi
l
ity
commit
|
commitdiff
|
tree
2018-08-29
Roland
S
ch
u
l
z
U
s
e
more const in hard
w
aret
o
pology
commit
|
commitdiff
|
tree
2018-08-29
Rolan
d
Schulz
Fix clan
g
-t
i
dy build wi
t
h libstdc++ >= 7
commit
|
commitdiff
|
tree
2018-08-28
Rol
a
nd Schulz
Add har
d
l
i
mit for line leng
t
h
commit
|
commitdiff
|
tree
2018-08-27
Ro
l
and S
c
hulz
E
nable more clang-tidy che
c
ks
f
or new code
commit
|
commitdiff
|
tree
2018-08-20
Roland Schulz
Remove
macro
s
in u
t
ili
t
y
/tes
t
s/arrayref
commit
|
commitdiff
|
tree
2018-08-19
R
o
land S
c
h
ulz
Fix simd-tes
t
commit
|
commitdiff
|
tree
2018-08-18
R
oland
S
c
h
ulz
readabi
l
ity-i
m
plicit-
b
ool-conv
e
rsion 2/2
commit
|
commitdiff
|
tree
2018-08-18
Rolan
d
Sch
u
l
z
readability
-
impli
c
it-
b
ool
-
conversion 1/2
commit
|
commitdiff
|
tree
2018-08-18
Rol
a
nd Schulz
clang-tidy mo
d
ernize
commit
|
commitdiff
|
tree
2018-08-18
Roland Sc
h
u
lz
c
l
ang-tidy: go
o
gle tests appl
i
ca
b
le
commit
|
commitdiff
|
tree
2018-08-18
Roland Sch
u
lz
Enable clang
tidy/wa
r
nings
f
or tests
commit
|
commitdiff
|
tree
2018-08-14
Ro
l
and S
c
hul
z
Fix int/bool bugs
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Rem
o
ve
B
a
sicVector
.
as_
v
ec
commit
|
commitdiff
|
tree
2018-08-13
Rola
n
d Schulz
Remove code d
u
p
lication in trajana/modul
e
s/traje
c
t
o
r
y
commit
|
commitdiff
|
tree
2018-08-13
R
oland
Schul
z
R
e
move c
p
pcheck
commit
|
commitdiff
|
tree
2018-08-13
Ro
l
and Sc
h
ulz
Fix MSD
commit
|
commitdiff
|
tree
2018-08-12
Roland
Schulz
3/3 of old-style casting
commit
|
commitdiff
|
tree
2018-08-12
R
o
land Sc
h
ulz
Add
_
r
e
a
l
u
ser defined
literal
commit
|
commitdiff
|
tree
2018-08-11
Roland Schulz
E
n
a
b
le clang-
t
i
dy
fo
r
headers
commit
|
commitdiff
|
tree
2018-08-10
R
o
land Sch
u
lz
Avoid
u
s
ing global variabl
e
s in p
r
ogr
a
ms
commit
|
commitdiff
|
tree
2018-08-08
Roland Schulz
2/3 of old-styl
e
cas
t
ing
commit
|
commitdiff
|
tree
2018-08-08
R
ola
n
d Schulz
F
i
x part of
o
ld-s
t
yle
casting
commit
|
commitdiff
|
tree
2018-08-08
Roland Schulz
Remove gmx custom fi
x
ed int
(
e
.
g
.
gm
x
_int64_
t
) types
commit
|
commitdiff
|
tree
2018-08-07
Roland Sch
u
l
z
Fix cl
a
ng-tidy
MPI wa
r
nings
commit
|
commitdiff
|
tree
2018-08-06
Roland Schulz
Ch
a
nge
g
mx_bool from int to boo
l
commit
|
commitdiff
|
tree
2018-08-06
Rol
a
nd Sch
u
l
z
Disable
FPE for GCC
7
.
* with
optimi
z
ations
commit
|
commitdiff
|
tree
2018-08-04
Roland Schulz
c
l
ang-tid
y
: m
o
dernize
make
-
unique/
s
har
e
d
commit
|
commitdiff
|
tree
2018-07-30
Roland Sch
u
l
z
Di
s
ab
l
e FPEs at end of r
u
nne
r
commit
|
commitdiff
|
tree
2018-07-16
Roland Schul
z
Fi
x
Windows+Intel
commit
|
commitdiff
|
tree
2018-07-16
R
oland Schulz
Warn for t
y
pe mis
m
at
c
h for gmx
p
r
intf like functions 1/3
commit
|
commitdiff
|
tree
2018-07-16
Roland Schulz
Enabl
e
de
b
ug FP exceptions wit
h
out TPI, not with
T
P
I
commit
|
commitdiff
|
tree
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