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Tell cppcheck that .cpp and .cu files are c++
2017-10-07
Mark A
b
ra
h
am
Tell
c
ppcheck that
.
cpp and
.
c
u fil
e
s are
c++
commit
|
commitdiff
|
tree
2017-10-07
Rol
a
nd Schulz
Refactor load+
S
im
d
Load*Pro
x
y
I
nternal to reduce duplication
commit
|
commitdiff
|
tree
2017-10-06
Berk Hess
A
d
d
SIMD intrinsics version of simp
l
e update
commit
|
commitdiff
|
tree
2017-10-06
Be
r
k Hess
Improve
P
a
ddedRVec
V
ector r
e
sizing
commit
|
commitdiff
|
tree
2017-10-06
Al
e
k
s
ei Iupinov
Add timing ac
c
umulat
i
on capability into GpuRegio
n
Tim
e
r
commit
|
commitdiff
|
tree
2017-10-05
Berk Hess
M
a
ke SIMD ambiguous tes
t
work with float/double only
commit
|
commitdiff
|
tree
2017-10-05
Szilárd
Páll
Fix pair list array a
s
sertion
commit
|
commitdiff
|
tree
2017-10-05
Szilár
d
Páll
Avoid -Wmissing-prototype
s
war
n
ing
s
i
n
clang
C
U
DA builds
commit
|
commitdiff
|
tree
2017-10-05
R
o
l
and
S
c
h
ulz
Fix tha
t
exp(loa
d
(
x
))
is
a
mbi
g
uous
commit
|
commitdiff
|
tree
2017-10-04
Mark Abra
h
am
E
nable
g
roup-s
c
hem
e
S
I
MD
w
ith
G
M
X
_
SIMD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-04
Aleksei Iupinov
Add
GpuRegionTimer class
commit
|
commitdiff
|
tree
2017-10-03
Ma
r
k Abra
h
am
Introduce and use A
l
i
gnedAllocationPolicy
commit
|
commitdiff
|
tree
2017-10-02
B
e
rk Hess
Remove hybrid
g
pu+cpu nonbonded mode
commit
|
commitdiff
|
tree
2017-09-26
A
le
k
sei Iupinov
M
o
ve C
U
DA
texture setup c
o
de fro
m
N
B
CUDA modul
e
to
.
.
.
commit
|
commitdiff
|
tree
2017-09-17
Mark Abra
h
a
m
M
e
rge br
a
n
c
h
release-2016
commit
|
commitdiff
|
tree
2017-09-15
Berk Hess
Remov
e
n
b
-par
a
meters f
r
o
m t_forcer
e
c
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
A
braham
E
x
press int
e
nt o
f
m
a
trix releas
e
build types ex
p
l
i
c
i
tl
y
commit
|
commitdiff
|
tree
2017-09-15
M
a
rk Abraham
Bu
m
pe
d
pat
c
h version for
next release
commit
|
commitdiff
|
tree
2017-09-15
Mark A
b
r
a
ham
Version 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Aleksei I
u
pinov
Fix non-SIMD bu
i
l
d fa
i
ling
commit
|
commitdiff
|
tree
2017-09-14
Szilárd Páll
CUD
A
9/Volta supp
o
r
t
for the pruning
k
ernel
commit
|
commitdiff
|
tree
2017-09-14
Ma
r
k Abraham
F
orm taskassign
m
ent m
o
dul
e
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraha
m
Fi
x
compat mo
d
u
le defi
n
it
i
on
commit
|
commitdiff
|
tree
2017-09-12
Erik Li
n
dahl
Improve accuracy of S
I
M
D
exp for sm
a
ll
a
rgs
commit
|
commitdiff
|
tree
2017-09-12
Mark Abraham
Me
r
g
e branch release-2016
commit
|
commitdiff
|
tree
2017-09-12
Be
r
k
Hess
Do no
t
pass state
t
o
i
n
i
t_replica_
e
xc
h
ange
commit
|
commitdiff
|
tree
2017-09-11
S
z
ilárd P
á
ll
N
V
IDIA Volta perform
a
nce tweaks
commit
|
commitdiff
|
tree
2017-09-11
B
erk Hess
Fix PBC bugs in the swap
code
commit
|
commitdiff
|
tree
2017-09-07
M
ark Abraham
Introdu
c
e
t
y
pe
-
safe GPU emulation variabl
e
s
commit
|
commitdiff
|
tree
2017-09-07
Roland Schulz
A
dd i
s
Inte
g
r
a
l
Con
s
tant typ
e
trai
t
commit
|
commitdiff
|
tree
2017-09-07
M
ark A
b
raham
Enable group-scheme SIMD kernels on
r
ecen
t
AVX extensi
o
ns
commit
|
commitdiff
|
tree
2017-09-06
Roland Schulz
P
M
E-gath
e
r
:
Use templated functor instead
o
f preproc
e
s
sor
commit
|
commitdiff
|
tree
2017-09-05
Christoph
Junghans
Su
p
por
t
e
d
quiet tra
j
ectory-hand
l
ing I/O
commit
|
commitdiff
|
tree
2017-09-05
Ma
r
k Abrah
a
m
Fixes for
Solaris
commit
|
commitdiff
|
tree
2017-09-05
M
a
r
k Abraham
Fix
u
s
e
o
f GPU information for thr
e
a
d
-MP
I
setup
commit
|
commitdiff
|
tree
2017-09-04
Be
r
k Hess
Fix
two nbnx
n
search indexi
n
g bugs
commit
|
commitdiff
|
tree
2017-09-04
Roland Schulz
Fix accur
a
cy for c
v
tDo
u
ble2Flo
a
t/
c
prod
commit
|
commitdiff
|
tree
2017-09-04
Berk Hess
Cons
o
l
i
date
a
rch
i
t
ecture booleans
commit
|
commitdiff
|
tree
2017-09-03
Mark A
b
ra
h
am
Fix co
m
piler flags f
o
r
using
M
KL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Merge branch
r
elease-5-1 into release-
2
016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abrah
a
m
Fix flat-bottome
d
position restraints
w
ith mul
t
iple
.
.
.
commit
|
commitdiff
|
tree
2017-08-22
Mark
A
braham
Run GPU
d
et
e
ction eve
n
for mdrun
-nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
raham
Fixed thr
e
ad-MPI
with
non-default
-npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Abr
a
ham
Fix missing declaration
o
f GMX_UNUSED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
A
l
eksei Iupinov
Separate
P
ME
s
pread and g
a
ther wallcycle counters
commit
|
commitdiff
|
tree
2017-08-22
Berk
Hess
Enab
l
e
d
ynamic pa
i
r list pruning
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
raha
m
Merge br
a
nch releas
e
-2016
commit
|
commitdiff
|
tree
2017-08-21
T
e
e
mu M
u
rto
l
a
S
i
mple union-find s
t
ructure
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Moved in
c
r
e
ase_nstlist() to nb
n
xn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark
A
b
raham
Fix compilatio
n
issues with ARM
S
IMD
commit
|
commitdiff
|
tree
2017-08-21
Szi
l
árd
P
áll
Add OpenCL pruning kernels and launch/t
i
ming
l
o
g
i
c
commit
|
commitdiff
|
tree
2017-08-18
S
z
ilárd Páll
I
m
prove awkwar
d
h
a
nd
l
ing of GMX_C
U
D
A_TAR
G
ET* help
commit
|
commitdiff
|
tree
2017-08-18
Vedran Miletić
Improve the "files not pre
s
en
t
"
error message
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Pál
l
Add CUD
A
p
runing kernel
s
an
d
launch/t
i
ming logi
c
commit
|
commitdiff
|
tree
2017-08-18
B
e
r
k Hess
Ad
d
CPU reference and
S
IMD pruning
k
er
n
els
commit
|
commitdiff
|
tree
2017-08-17
Mar
k
Abr
a
h
a
m
R
e
plac
e
consistency checking with assert
i
o
n
commit
|
commitdiff
|
tree
2017-08-16
Berk
H
ess
A
d
d
d
ynamic
pair-list pruning framework
commit
|
commitdiff
|
tree
2017-08-16
Berk Hes
s
C
l
e
a
n
up nbnxn cl
u
ster pair a
d
di
t
ion code
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Par
s
e user
-
su
p
plied GPU task ass
i
gnm
e
nt only when needed
commit
|
commitdiff
|
tree
2017-08-15
Davi
d
v
a
n der Spoel
Worked around missing
OpenMP implemen
t
at
i
on in orir
e
s
.
commit
|
commitdiff
|
tree
2017-08-15
Mark
A
braham
M
e
rge branc
h
r
e
lease-
5
-
1
into release-2016
commit
|
commitdiff
|
tree
2017-08-15
Jiri Kraus
CUDA 9
/
V
o
l
t
a support for the nonbonded
module
commit
|
commitdiff
|
tree
2017-08-15
Ma
r
k
A
b
r
aham
Fix value of Ew
a
ld shift
commit
|
commitdiff
|
tree
2017-08-07
M
ark Abraham
F
ix include dep
e
ndency for gete
n
v
commit
|
commitdiff
|
tree
2017-08-06
M
a
r
k Abraham
Sim
p
lify resource-di
v
ision efficienc
y
check
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k Abraham
De
c
ou
p
l
e
task assignm
e
nt from task
e
xecution
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Removed unused host-side allocation code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abra
h
am
S
t
op u
s
ing hwinf
o
_g for repor
t
ing code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Removed u
n
used include
s
t
a
t
e
ments
commit
|
commitdiff
|
tree
2017-08-03
Berk Hes
s
Add check
for nr of orien
t
ation restraints
commit
|
commitdiff
|
tree
2017-08-03
Berk
H
ess
Fix bugs with
o
r
ie
n
tation restrain
t
s
commit
|
commitdiff
|
tree
2017-08-03
Carsten Kut
z
n
e
r
A
d
d
e
d missi
n
g
.
m
d
p fi
l
e docu
m
e
ntation for th
e
enforce
d
.
.
.
commit
|
commitdiff
|
tree
2017-08-02
Berk Hess
C
l
ean
u
p
m
atri
x
inversion
commit
|
commitdiff
|
tree
2017-08-02
Berk Hess
F
ix orientati
o
n r
e
strain
t
refere
n
ce
commit
|
commitdiff
|
tree
2017-08-02
David van der Spoel
Worked
a
round missing OpenMP implem
e
ntation in ori
r
es
.
commit
|
commitdiff
|
tree
2017-08-01
Mark Abraham
Introduced M
d
runner high-
l
e
v
el cla
s
s
commit
|
commitdiff
|
tree
2017-07-28
David van
d
er Spoe
l
Added unit-tes
t
f
o
r
orie
n
tat
i
on r
e
straints output
.
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
Enh
a
nce c
m
a
k
e and rel
e
ng handli
n
g of GMX
_
USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-27
S
zilárd Páll
Info
r
m
users about the end
of run DLB state
commit
|
commitdiff
|
tree
2017-07-19
D
a
vid van
d
er
S
p
o
el
Removed unnecessary static decl
a
rations
for comm
a
n
d
.
.
.
commit
|
commitdiff
|
tree
2017-07-14
Ma
r
k Abraham
Implemen
t
ed gro
m
pp
-
p
o
f
or options-style m
d
p
h
a
nd
l
ing
commit
|
commitdiff
|
tree
2017-07-14
M
ark Abrah
a
m
C
l
e
a
n
u
p cmak
e
build ho
s
t detect
i
o
n
commit
|
commitdiff
|
tree
2017-07-13
Mark A
b
raham
Clean up gmx_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Clea
n
ed up mdrunner_st
a
rt_thre
a
ds
commit
|
commitdiff
|
tree
2017-07-11
Roland Sch
u
lz
PME-gathe
r
: make varia
b
les local
and const
commit
|
commitdiff
|
tree
2017-07-11
Te
e
mu
M
urtola
Suppor
t
sc
o
ped key-value t
r
ee
transform rules
commit
|
commitdiff
|
tree
2017-07-07
Mar
k
Abrah
a
m
Refactor error ha
n
d
ling in init
_
g
pu
commit
|
commitdiff
|
tree
2017-07-04
Mark A
b
raham
Clean
u
p
pic
k
_nbnxn
_
resources
commit
|
commitdiff
|
tree
2017-07-01
M
ark Abraham
Cleaned up GPU emulation logic
commit
|
commitdiff
|
tree
2017-06-30
Teemu Murt
o
la
F
i
x b
o
ole
a
n
s
erialization
commit
|
commitdiff
|
tree
2017-06-30
Teemu
M
ur
t
ola
Extend k
e
y
-
value tree comp
a
r
ison and te
s
ts
commit
|
commitdiff
|
tree
2017-06-28
Ma
r
k A
b
raham
C
leaned up hi
g
h-level boolean var
i
able nami
n
g
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Fix
specificatio
n
f
o
r gc
c
-6
commit
|
commitdiff
|
tree
2017-06-28
M
a
r
k Abra
h
am
M
erge bran
c
h
r
elease-2016
commit
|
commitdiff
|
tree
2017-06-27
T
e
em
u
Mu
r
tola
Do n
o
t use conf-man
.
py for non-manpage doc
builds
commit
|
commitdiff
|
tree
2017-06-27
M
a
rk Abraham
Minor improvem
e
nts to test configs
commit
|
commitdiff
|
tree
2017-06-26
Erik Lindahl
Fix AR
M
N
E
O
N sim
d
debug
bu
i
lds
commit
|
commitdiff
|
tree
2017-06-26
S
zilárd Páll
Add AR
M
_NEON_ASIM
D
post-submit test
commit
|
commitdiff
|
tree
2017-06-26
Jiri Kr
a
us
U
p
dated a
p
plication
clock handling on Pa
s
cal+ GPUs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abrah
a
m
Consol
i
dated logic for cho
o
s
in
g
num
b
er of
threa
d
-M
P
I
.
.
.
commit
|
commitdiff
|
tree
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