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Clang warnings
2018-07-11
Roland
S
chulz
Cla
n
g
w
arnings
commit
|
commitdiff
|
tree
2018-07-11
Mark Abraham
Split TopologyI
n
forma
t
ion i
n
to its own header
commit
|
commitdiff
|
tree
2018-07-08
Mark Abraham
Clarify
t
he imple
m
en
t
ation
o
f selection -ofpdb output
commit
|
commitdiff
|
tree
2018-07-06
Mark
Abraham
F
ix warn
i
ngs in internal xd
r
code
commit
|
commitdiff
|
tree
2018-07-06
Ma
r
k Abraham
Mer
g
e
"
Mer
g
e release
-
2018 int
o
master"
commit
|
commitdiff
|
tree
2018-07-06
Ro
l
and Sch
u
lz
Fix AVX_512_KNL
commit
|
commitdiff
|
tree
2018-07-04
Roland Schulz
Fi
x
ManageLmfit
commit
|
commitdiff
|
tree
2018-07-03
R
o
land Schulz
C
hange ArrayRef::s
i
ze_type to signe
d
commit
|
commitdiff
|
tree
2018-07-03
Berk Hess
C
onv
e
rt
gmx_h
a
sh_t t
o
C
+
+
commit
|
commitdiff
|
tree
2018-07-03
Roland
S
chulz
c
lang-tidy: misc-mis
p
laced-wid
e
ning-ca
s
t
commit
|
commitdiff
|
tree
2018-07-03
Ro
l
and
Schulz
c
lang-tidy: mi
s
c-misplaced-const
commit
|
commitdiff
|
tree
2018-07-03
Be
r
k
Hess
Lo
c
ali
z
e
v
ariables in dd_re
d
istr
i
bute_cg
(
)
commit
|
commitdiff
|
tree
2018-07-02
Berk He
s
s
Convert DD
DLB c
e
ll size
hand
l
ing to C+
+
commit
|
commitdiff
|
tree
2018-07-01
Roland Schulz
Enable clang-tidy Nul
l
Dereference
commit
|
commitdiff
|
tree
2018-07-01
Ro
l
and S
c
hulz
cla
n
g
-
tidy: read
a
b
i
lity-non-const-paramete
r
(2/2)
commit
|
commitdiff
|
tree
2018-07-01
B
e
rk Hess
Removed smalloc
.
h from m
a
ny DD files
commit
|
commitdiff
|
tree
2018-06-30
Ro
l
and Schulz
clang-
t
i
d
y
:
m
i
sc-string-compa
r
e+perf-valu
e
-p
a
ra
m
commit
|
commitdiff
|
tree
2018-06-29
Roland Schulz
clang-t
i
dy:
r
eadabi
l
ity-non-c
o
nst
-
param
e
t
er
(
1
/
2
)
commit
|
commitdiff
|
tree
2018-06-29
B
erk Hess
C
o
nv
e
rt gm
x
_domdec
_
constraints_t to C++
commit
|
commitdiff
|
tree
2018-06-29
Berk Hess
Convert
g
m
x
_
d
o
mdec_spe
c
at_comm_t
t
o
C++
commit
|
commitdiff
|
tree
2018-06-29
Berk Hess
Initia
l
ize DD DLB variable
commit
|
commitdiff
|
tree
2018-06-29
Berk
H
ess
New quote from a refe
r
ee
commit
|
commitdiff
|
tree
2018-06-29
Roland Schulz
clan
g
-t
i
dy:
misc-
s
uspici
o
us-miss
i
ng-comma
commit
|
commitdiff
|
tree
2018-06-29
Ro
l
and Schulz
c
l
a
ng
-
tidy: add mod
e
rnize
n
ull
p
tr & emp
l
a
ce
commit
|
commitdiff
|
tree
2018-06-29
Mar
k
Abraham
N
ew qu
o
te from ISC2018
commit
|
commitdiff
|
tree
2018-06-29
Roland
S
chulz
c
l
ang-tidy: readibilit
y
r
edundant
commit
|
commitdiff
|
tree
2018-06-29
Roland Schulz
c
l
ang-
t
id
y
:
misl
e
ading-indentation+noex
c
e
p
t-move
commit
|
commitdiff
|
tree
2018-06-29
Roland Schulz
clang-tid
y
: Enable bu
g
prone-integer-division
commit
|
commitdiff
|
tree
2018-06-29
Roland Schulz
A
dd clang-ti
d
y to p
r
e-submit
commit
|
commitdiff
|
tree
2018-06-28
Berk Hes
s
Clean
u
p dd_move_cellx()
commit
|
commitdiff
|
tree
2018-06-28
Berk He
s
s
Convert gmx_domdec
_
so
r
t
_t to C++
commit
|
commitdiff
|
tree
2018-06-28
Berk Hess
Change
BlockRa
n
ges t
o
class RangePartitioning
commit
|
commitdiff
|
tree
2018-06-28
Roland
S
chu
l
z
clang-tidy: 4 r
e
ad
a
b
ility chec
k
s
commit
|
commitdiff
|
tree
2018-06-27
Berk Hess
Fix bug wi
t
h 2D/3D triclinic
D
D
commit
|
commitdiff
|
tree
2018-06-27
Berk Hess
Add consis
t
enc
y
ch
e
ck to DDAtomRan
g
es
commit
|
commitdiff
|
tree
2018-06-27
Berk Hess
Pa
r
tial
co
n
v
e
rsion
o
f gmx_d
o
m
d
e
c_
c
om
m
_t
to
C++
commit
|
commitdiff
|
tree
2018-06-27
Berk Hess
Template and
over
l
oad dd_sendrecv function
s
commit
|
commitdiff
|
tree
2018-06-24
Roland Sch
u
lz
Allow GMX_OCL_DEBUG for any vendo
r
commit
|
commitdiff
|
tree
2018-06-14
Mark Ab
r
aham
Upda
t
ed t
o
p
r
e
pare
for 2018
.
3 release
commit
|
commitdiff
|
tree
2018-06-14
Mark Abraha
m
Ver
s
ion 2018
.
2
commit
|
commitdiff
|
tree
2018-06-14
Aleks
e
i Iu
p
inov
Ens
u
re PME with OpenCL
d
oes
n
o
t attem
p
t
to pin
commit
|
commitdiff
|
tree
2018-06-14
B
e
rk H
e
s
s
Intro
d
u
c
ed DDAtomRanges class
commit
|
commitdiff
|
tree
2018-06-13
Mark Abr
a
ha
m
Ca
l
l Constraints::setConstraints wit
h
other
s
etup
code
commit
|
commitdiff
|
tree
2018-06-13
Berk Hess
R
e
m
ove LIN
C
S
p
r
ints to
log file
commit
|
commitdiff
|
tree
2018-06-13
M
a
rk Abraham
Fix pre
m
ature reportin
g
o
f
action whe
n
GPUs are not
.
.
.
commit
|
commitdiff
|
tree
2018-06-13
Mark Abraham
U
s
e initial
i
zer
lists
f
or Lincs and Task
commit
|
commitdiff
|
tree
2018-06-13
Mark A
b
raha
m
Use more c
o
ntainers an
d
views for co
n
s
t
raints code
commit
|
commitdiff
|
tree
2018-06-13
Berk Hess
Partial
c
onv
e
rsion of gmx_do
m
dec_t to C++
commit
|
commitdiff
|
tree
2018-06-13
Mark Abraham
Upda
t
e
top-lev
e
l R
E
ADME
commit
|
commitdiff
|
tree
2018-06-13
Mark Abraham
F
i
x
e
d documentatio
n
typo
commit
|
commitdiff
|
tree
2018-06-13
M
a
rk Ab
r
aham
Bum
p
lmfit
sup
p
ort to vers
i
on 7
commit
|
commitdiff
|
tree
2018-06-12
Be
r
k Hess
Ad
d
A
WH
co
n
t
inuat
i
on co
n
sis
t
en
c
y checkin
g
commit
|
commitdiff
|
tree
2018-06-12
Mark Abraham
More f
i
xes to suit g
c
c 8 for
d
oub
l
e
build
commit
|
commitdiff
|
tree
2018-06-12
Szilárd P
á
ll
Also issue OMP_NUM_
T
HREADS re
a
ding
note to the log
commit
|
commitdiff
|
tree
2018-06-12
V
iveca Lindahl
Changed histogram check inte
r
val
for mul
t
idimensional
.
.
.
commit
|
commitdiff
|
tree
2018-06-12
Ber
k
Hess
Ad
d
fatal error fo
r
inconsistent graph
commit
|
commitdiff
|
tree
2018-06-12
Berk Hes
s
Avoi
d
COM removal
m
ovin
g
froze
n
atoms
commit
|
commitdiff
|
tree
2018-06-12
Berk Hess
Remov
e
constr
a
i
n
t v
correct
i
on f
o
r frozen a
t
oms
commit
|
commitdiff
|
tree
2018-06-07
Aleksei Iup
i
nov
Compile most of PME GPU host code with Ope
n
CL
commit
|
commitdiff
|
tree
2018-06-06
B
erk Hess
Clea
n
up make_at2
c
on
commit
|
commitdiff
|
tree
2018-06-06
Mark
A
b
raham
Move IMD initializati
o
n and fuse DD setup
commit
|
commitdiff
|
tree
2018-06-06
B
e
rk
He
s
s
Fix MPI in
c
onsis
t
ency in EM af
t
er
c
o
n
s
t
r
aint fail
u
re
commit
|
commitdiff
|
tree
2018-06-05
Mark Abraham
Make proper B
o
xDeformatio
n
class
commit
|
commitdiff
|
tree
2018-06-05
Berk Hess
Make nbnx
n
_grid_t counts and
s
i
z
e
s arrays
commit
|
commitdiff
|
tree
2018-06-05
M
a
rk Abraham
Make
Constr
a
ints a proper class
commit
|
commitdiff
|
tree
2018-06-04
Mark Abra
h
am
U
p
date Awh initialization a
n
d l
i
f
etime manageme
n
t
commit
|
commitdiff
|
tree
2018-06-04
Szilárd Páll
Fix timing of clFFT kernels
commit
|
commitdiff
|
tree
2018-06-04
Magnus Lundborg
Wr
i
te lambdas and box to T
N
G
at correct
interv
a
ls
commit
|
commitdiff
|
tree
2018-06-01
Ke
v
in Boyd
Cosme
t
ic fixes
t
o mdp docum
e
ntati
o
n
commit
|
commitdiff
|
tree
2018-05-31
Aleksei Iupi
n
ov
Merge pme
.
c
u into
p
me-
g
pu-internal
.
cp
p
commit
|
commitdiff
|
tree
2018-05-31
Alekse
i
Iupinov
Move
pm
e
-tim
i
ngs
.
cu to pm
e
-gpu-timing
s
.
cp
p
commit
|
commitdiff
|
tree
2018-05-31
Aleksei Iupinov
Prefer linkin
g
t
o syst
e
m c
l
FFT rather than bundled one
commit
|
commitdiff
|
tree
2018-05-31
Aleks
e
i Iupinov
Move the P
m
e
G
p
u
Specific s
t
ructu
r
e into pme-gpu-types
.
.
.
commit
|
commitdiff
|
tree
2018-05-31
Aleksei Iu
p
inov
Added the bun
d
led clFFT
into Ope
n
C
L
b
u
ilds
commit
|
commitdiff
|
tree
2018-05-31
Aleksei Iup
i
nov
G
a
t
her the PME GPU cons
t
ants/macros i
n
a sing
l
e he
a
der
commit
|
commitdiff
|
tree
2018-05-28
Aleksei Iupinov
Suppo
r
t persistent device con
t
ex
t
-
d
e
r
ived d
a
t
a
i
n
PME
.
.
.
commit
|
commitdiff
|
tree
2018-05-25
Mark Abraham
Clean
up forc
e
.
h and its use
commit
|
commitdiff
|
tree
2018-05-24
Mark
Abraha
m
Remove bDomDec from t_fo
r
cerec
commit
|
commitdiff
|
tree
2018-05-24
Berk Hess
Fix gr
o
mpp b
u
g
w
i
th b
l
ocks of same molecules
commit
|
commitdiff
|
tree
2018-05-24
Mark Ab
r
aham
R
e
form
E
wald-mo
d
ule cmake handling
commit
|
commitdiff
|
tree
2018-05-23
Roland
S
chulz
Rename GMX_OCL_
C
LUST
E
R_SIZ
E
t
o
GMX_OCL_NB_CLUSTER_SIZE
commit
|
commitdiff
|
tree
2018-05-23
Berk Hes
s
Split of
f
collect
.
cpp from domdec
.
cp
p
commit
|
commitdiff
|
tree
2018-05-23
Ber
k
Hes
s
Conv
e
r
t
n
bnx
n
_search to C++
commit
|
commitdiff
|
tree
2018-05-22
Berk Hess
Change nbnxn grid r
e
al
l
ocation
commit
|
commitdiff
|
tree
2018-05-22
Berk H
e
ss
U
s
e st
d
::v
e
c
t
or
i
n nbnxn_search_t
commit
|
commitdiff
|
tree
2018-05-22
Be
r
k
Hess
Use s
t
d::vector
i
n nbnxn_grid_t
commit
|
commitdiff
|
tree
2018-05-22
Kevin B
o
yd
Cosmetic documenta
t
i
on changes
commit
|
commitdiff
|
tree
2018-05-22
A
l
eksei Iupin
o
v
Remove unused results of c
u
daS
t
r
eamQuer
y
()
commit
|
commitdiff
|
tree
2018-05-22
K
ev
i
n Boyd
Minor fixes to mdrun
p
e
r
forman
c
e d
o
cumentation
commit
|
commitdiff
|
tree
2018-05-18
Aleks
e
i Iup
i
nov
p
repareG
p
uKernelArg
u
ments
(
)
and
launch
G
p
u
Kernel(
)
a
r
e
.
.
.
commit
|
commitdiff
|
tree
2018-05-17
Ber
k
Hess
Split off d
o
m
dec distri
b
utio
n
and cellsizes
commit
|
commitdiff
|
tree
2018-05-17
B
erk Hess
Spli
t
atom red
i
stributi
o
n
off fro
m
domdec
.
cp
p
commit
|
commitdiff
|
tree
2018-05-17
Berk
Hess
R
e
m
ove commrec
from
s
et_ddbox()
commit
|
commitdiff
|
tree
2018-05-15
Ro
l
and Schu
l
z
Us
e
s
ame OpenCL ker
n
e
l
for d
i
f
f
e
rent Vendor
s
commit
|
commitdiff
|
tree
2018-05-10
Carst
e
n Ku
t
zner
I
ntroduce
helper class
e
s
for
force pr
o
vi
d
er input an
d
.
.
.
commit
|
commitdiff
|
tree
2018-05-04
P
a
ul Bauer
Fi
x
md -cpi -noappend
commit
|
commitdiff
|
tree
2018-05-04
Mark
Abraham
Me
r
ge "Merge branch release-2018"
commit
|
commitdiff
|
tree
2018-05-04
M
a
rk Abraha
m
Mor
e
const correctness
commit
|
commitdiff
|
tree
2018-05-03
Mark Abraham
Merge br
a
nch release-2
0
18
commit
|
commitdiff
|
tree
2018-05-02
Ro
l
and
S
chulz
E
nable uncru
s
tify fo
r
OpenCL
commit
|
commitdiff
|
tree
next