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Remove gmx custom fixed int (e.g. gmx_int64_t) types
2018-08-08
Roland Schulz
R
e
m
ove gmx custom fixed int (e
.
g
.
g
mx_int64_t) types
commit
|
commitdiff
|
tree
2018-07-14
Rolan
d
S
c
h
ulz
MSVC: enab
l
e c
o
de analysis
commit
|
commitdiff
|
tree
2018-07-12
R
o
la
n
d Schulz
Fix cl
a
ng-tidy cmake messages
commit
|
commitdiff
|
tree
2018-07-12
Roland Schulz
T
e
mporary disable a
r
mhpc
-
18
.
2
commit
|
commitdiff
|
tree
2018-07-12
R
o
la
n
d Schulz
Req
u
ire ICC 17
.
0
.
1
commit
|
commitdiff
|
tree
2018-07-12
Mark A
b
rah
a
m
Bump minimum MSVC ver
s
ion to 2017
commit
|
commitdiff
|
tree
2018-07-10
Mark Abr
a
ham
Add inf
r
a
s
tructure for tools clea
n
up
commit
|
commitdiff
|
tree
2018-07-10
R
o
land
S
chulz
Cl
a
ng wa
r
nings: unr
e
acha
b
le
commit
|
commitdiff
|
tree
2018-07-06
Mark Abraham
Use fewer gc
c
-4
.
8 c
o
n
f
i
gurations
commit
|
commitdiff
|
tree
2018-07-05
Roland Sch
u
l
z
Fix compiler
w
arning
s
in
OCL
commit
|
commitdiff
|
tree
2018-07-04
Roland Schulz
Merge release-2018 in
t
o master
commit
|
commitdiff
|
tree
2018-07-04
Roland Sc
h
ulz
Enabl
e
more warnings for Clang 6
commit
|
commitdiff
|
tree
2018-07-03
Roland Sch
u
lz
Fix p
o
st-sub
m
it issues
commit
|
commitdiff
|
tree
2018-07-03
Mark Abraham
F
ix cl
a
ng CUDA build
commit
|
commitdiff
|
tree
2018-07-03
R
o
land Schulz
clan
g
-
tidy: more
mi
s
c+rea
d
abi
l
i
ty
commit
|
commitdiff
|
tree
2018-06-28
R
o
land
Schul
z
clang-t
i
dy: perfo
r
ma
n
ce-type-
p
r
o
motion
-
in-math-fn
commit
|
commitdiff
|
tree
2018-06-28
Rol
a
nd Schul
z
Clang-tidy: enable
f
urther tes
t
s
commit
|
commitdiff
|
tree
2018-06-23
Roland Sch
u
l
z
clang-tidy
:
Enable m
o
s
t
bug
p
rone checks
commit
|
commitdiff
|
tree
2018-06-23
R
o
land S
c
hulz
Al
l
o
w t
o
enable cl
a
ng-ti
d
y with GMX_CLANG_TIDY
commit
|
commitdiff
|
tree
2018-05-21
R
o
l
and Sch
u
lz
Fix ill
e
gal instruction error
o
n KNL
commit
|
commitdiff
|
tree
2018-05-15
R
oland Schul
z
All
o
w
O
C
L
CL_SIZE to be set t
o
4 for
I
ntel
commit
|
commitdiff
|
tree
2018-02-08
Mark Abraham
Use more portable pyth
o
n shebangs
commit
|
commitdiff
|
tree
2018-01-22
Roland
Schulz
AVX
5
12: co
p
ysign
commit
|
commitdiff
|
tree
2018-01-19
Roland
Schulz
AVX512
G
CC
5
.
3
w
o
rk-aroun
d
commit
|
commitdiff
|
tree
2018-01-18
Ro
l
and Sc
h
ulz
R
e
move incor
r
ec
t
re
l
e
ase
-
note
e
nt
r
y
commit
|
commitdiff
|
tree
2018-01-18
Rolan
d
Schulz
Avoid dynamic
STL containers in global
init
commit
|
commitdiff
|
tree
2018-01-05
Roland Schulz
Remove unused defi
n
es
commit
|
commitdiff
|
tree
2017-12-26
Roland Schulz
Fix quote
commit
|
commitdiff
|
tree
2017-12-17
R
o
land Schulz
Merge branch release-2018
commit
|
commitdiff
|
tree
2017-12-17
Roland Sc
h
u
lz
Fix ty
p
o introduc
e
d in b
1
b
1163a245
commit
|
commitdiff
|
tree
2017-12-13
Rola
n
d Schulz
Rem
o
ve int support fo
r
SimdA
r
rayRef
commit
|
commitdiff
|
tree
2017-12-12
Roland Schulz
Add work-arou
n
d fo
r
I
CC 1
8
.
0/
.
1
commit
|
commitdiff
|
tree
2017-12-12
Erik Lindahl
R
e
quire TPR file
f
or gmx
c
l
u
s
t
e
r
commit
|
commitdiff
|
tree
2017-12-12
R
oland S
c
hulz
Fix shift usag
e
for KNC
commit
|
commitdiff
|
tree
2017-12-08
M
ark
A
bra
h
am
Refin
e
u
lp t
o
l
e
rances
f
or some
m
ore ewald tests
commit
|
commitdiff
|
tree
2017-12-08
Berk He
s
s
Corr
e
ct Shake
test to
l
erances
commit
|
commitdiff
|
tree
2017-12-06
Roland Schulz
F
i
x ICC warnin
g
s
commit
|
commitdiff
|
tree
2017-12-06
Roland S
c
hu
l
z
Add
e
d
d
oxygen note to clarify rounding m
o
de o
f
SIMD
commit
|
commitdiff
|
tree
2017-11-27
Roland S
c
h
ulz
Fix
b
ugs introduced in c4cd996
commit
|
commitdiff
|
tree
2017-11-10
Ro
l
a
nd Sch
u
l
z
PM
E
-
gath
e
r: 4xN
SI
M
D
commit
|
commitdiff
|
tree
2017-10-11
R
o
land
Schulz
Require
t
e
mplate param
e
ter
f
o
r load functio
n
commit
|
commitdiff
|
tree
2017-10-11
Roland Schulz
Use tag for simdLoad
commit
|
commitdiff
|
tree
2017-10-05
R
o
l
and Schu
l
z
Make ConstArrayRef a
l
i
as to ArrayRef<c
o
nst T>
commit
|
commitdiff
|
tree
2017-09-02
M
.
Eric Irrgang
Remove
m
acro that
conf
u
ses some debuggers
commit
|
commitdiff
|
tree
2017-09-02
Berk
H
ess
Put al
l
domde
c
o
p
tions in a stru
c
t
commit
|
commitdiff
|
tree
2017-08-29
Aleksei
Iupinov
Remove
leftover functi
o
n
de
c
laration
commit
|
commitdiff
|
tree
2017-08-29
R
o
land Schu
l
z
E
nable missing declarations warni
n
g
commit
|
commitdiff
|
tree
2017-08-28
Roland Schulz
Enab
l
e unuse
d
function warning
commit
|
commitdiff
|
tree
2017-08-28
Erik Lindahl
Im
p
ro
v
ed SIM
D
test data to use all bits
commit
|
commitdiff
|
tree
2017-06-28
Roland Schulz
Mer
g
e "Mer
g
e branch release-2016"
commit
|
commitdiff
|
tree
2017-06-28
Roland Schulz
Fix ICC workar
o
und f
o
r C++11 fe
a
ture check
commit
|
commitdiff
|
tree
2017-06-27
Roland
S
chulz
Merge
bran
c
h release-2016
commit
|
commitdiff
|
tree
2017-05-11
Roland Schulz
Remove stat
i
c-i
n
t
e
l from default fl
a
gs
commit
|
commitdiff
|
tree
2017-05-01
David van der
S
poe
l
X
pm test for gmx clustsiz
e
commit
|
commitdiff
|
tree
2017-04-17
Erik Lindahl
Fixed AVX-512F compiler
f
l
ags
commit
|
commitdiff
|
tree
2017-04-10
V
ed
r
a
n
M
iletić
Really
e
nabl
e
avx512 in fftw
only
for se
l
ect com
p
ilers
commit
|
commitdiff
|
tree
2017-02-25
Mi
c
h
a
e
l Shirts
Fi
x
for an i
n
correct check
t
h
a
t
nstlog
!
=
0
commit
|
commitdiff
|
tree
2017-02-23
Roland Schu
l
z
Fi
x
com
p
i
l
e
of GMX
_
SIMD=None with
I
CC
commit
|
commitdiff
|
tree
2017-01-13
R
o
land
Schulz
Ena
b
le uncrust
i
fy
f
o
r template
commit
|
commitdiff
|
tree
2017-01-10
R
o
l
and Schulz
Fix
A
VX512
issues in debug mo
d
e
commit
|
commitdiff
|
tree
2017-01-05
Roland
S
chu
l
z
Supres
s
I
CC 16 on
W
indows f
a
lse postives
commit
|
commitdiff
|
tree
2017-01-05
R
oland Schulz
Fix
cop
y
right
y
ear of previous commit
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk Abraham
Improve build system
for plugin
s
u
p
port
commit
|
commitdiff
|
tree
2016-12-15
M
.
Eric Irrgang
F
ix sy
n
tax in cmake status message
commit
|
commitdiff
|
tree
2016-12-15
Rola
n
d
Sc
h
ulz
Add create
_
u
nique_with_de
l
e
t
e
r
commit
|
commitdiff
|
tree
2016-12-15
Roland Schulz
Replace scoped_cptr wi
t
h
un
i
que_
c
p
t
r
commit
|
commitdiff
|
tree
2016-12-15
Vedran Miletić
Improve i
n
clude sorter erro
r
reporting
commit
|
commitdiff
|
tree
2016-12-15
Mark
A
braham
Removed support for mul
t
iple
e
ntries in mdp files
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Han
d
le wa
r
n
i
np correctly
i
n xpm2ps a
n
d memb
e
d
commit
|
commitdiff
|
tree
2016-11-23
Mark Abraham
S
top inclu
d
i
ng tng_io_fwd
.
h
commit
|
commitdiff
|
tree
2016-10-21
R
o
land Schul
z
S
u
p
p
r
es
s
cppcheck warning
commit
|
commitdiff
|
tree
2016-10-17
Teemu Murtola
Su
p
port
o
ption assignment from different precision
commit
|
commitdiff
|
tree
2016-10-17
T
e
emu Murtola
A
dd supp
o
rt for reading values f
r
om refdata
commit
|
commitdiff
|
tree
2016-08-24
Rolan
d
Schu
l
z
Remove un
n
ecessary ICC warning
suppr
e
ssion
commit
|
commitdiff
|
tree
2016-07-23
Roland Schulz
Merge rele
a
se-2016 into
m
aster
commit
|
commitdiff
|
tree
2016-07-18
R
oland Sc
h
ul
z
F
i
x non-parallel build
commit
|
commitdiff
|
tree
2016-05-27
Erik L
i
ndahl
Detect the usage of hwtop XML cach
i
ng
commit
|
commitdiff
|
tree
2016-04-28
Ro
l
and Schulz
Merge "Merge
branch r
e
lease-5-1"
commit
|
commitdiff
|
tree
2016-04-18
T
e
emu Mu
r
tola
M
ake thre
a
d affinity failures always end up in log
commit
|
commitdiff
|
tree
2016-04-18
Mark Abraham
Reduce
co
m
pilat
i
on coupling of SIMD mo
d
ule
commit
|
commitdiff
|
tree
2016-04-15
R
oland Schul
z
Fix AVX
5
12 suggestion
commit
|
commitdiff
|
tree
2016-04-04
Erik Lindahl
Fix hwl
o
c na
r
rowing wa
r
ning on 32-bit arch
i
tectures
commit
|
commitdiff
|
tree
2016-03-26
Berk Hess
Add real/S
I
MD
t
em
p
late for LJ-
1
4 pair
s
commit
|
commitdiff
|
tree
2016-03-10
Roland S
c
hulz
I
m
prove AVX512
commit
|
commitdiff
|
tree
2016-03-03
Berk Hes
s
Use
S
IMD
t
ranspose scatt
e
r in bondeds
commit
|
commitdiff
|
tree