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Test clang on ARM in nightly matrix
2017-11-07
Ma
r
k Abraham
Tes
t
clang on ARM in ni
g
htl
y
matrix
commit
|
commitdiff
|
tree
2017-11-07
S
z
ilárd Páll
Add wallcycl
e
timer f
o
r
t
he
P
ME GPU F reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Split off nbnxn G
P
U t
i
min
g
and staging reduction
commit
|
commitdiff
|
tree
2017-11-07
Mark A
b
raham
I
mprove P
M
E includes
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Dedupli
c
ate CU
D
A
a
nd OpenCL timer struc
t
commit
|
commitdiff
|
tree
2017-11-06
D
avid van der Spoel
Fixed check for wate
r
in
ge
n
_vsite
.
cpp
commit
|
commitdiff
|
tree
2017-11-03
Mark
Abraham
Merge "Merge branch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
David
van der Spoel
New mdp input for
e
lectric
f
ields
.
commit
|
commitdiff
|
tree
2017-11-02
Aleksei Iupinov
Replace math
.
h by
c
m
at
h
inclu
d
e
s
in cpp
files
commit
|
commitdiff
|
tree
2017-11-02
Ma
r
k
A
b
raham
Merge branch re
l
ease-201
6
commit
|
commitdiff
|
tree
2017-11-01
Paul Ba
u
er
Small chang
e
to LaTeX manual generat
i
o
n
commit
|
commitdiff
|
tree
2017-11-01
Ma
r
k Abraham
Fi
x
thread-MPI rank choice
fo
r
orientation
r
e
s
t
raints
commit
|
commitdiff
|
tree
2017-11-01
Aleks
e
i Iupino
v
Rem
o
ve un
u
sed PME
GPU declarations
commit
|
commitdiff
|
tree
2017-11-01
Alekse
i
Iupin
o
v
Move pme_gpu_finish_comput
a
tion() documentation to
.
.
.
commit
|
commitdiff
|
tree
2017-11-01
P
a
ul Bauer
Fixing
mis
s
i
n
g refere
n
ces in we
b
doc
u
m
entatio
n
commit
|
commitdiff
|
tree
2017-11-01
Aleksei Iupi
n
ov
F
ix erro
n
eous PME GPU "st
e
p
"
nami
n
gs
commit
|
commitdiff
|
tree
2017-11-01
Ma
r
k Abraham
Improve han
d
ling
o
f GPU
I
Ds
commit
|
commitdiff
|
tree
2017-11-01
Aleksei Iupinov
Si
m
plify PME GP
U
s
y
nchroniza
t
ion code
commit
|
commitdiff
|
tree
2017-10-31
Al
e
ksei I
u
pinov
Reuse epbcXY lo
g
ic
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
F
i
x nstlist
i
n
crease warning print
commit
|
commitdiff
|
tree
2017-10-31
S
z
ilárd Páll
Check CUDA
a
v
ailable/compiled code
compatibility
commit
|
commitdiff
|
tree
2017-10-30
Aleksei Iupinov
Fix reference mo
d
e build unu
s
ed functi
o
n
war
n
ings
commit
|
commitdiff
|
tree
2017-10-30
Berk Hess
R
e
move unused sign parameter
from
d
ih_angle()
commit
|
commitdiff
|
tree
2017-10-30
Roland Schulz
ArrayRef:
Repl
a
ce fr
o
m
Ve
c
tor wi
t
h subArr
a
y
commit
|
commitdiff
|
tree
2017-10-30
Dav
i
d
v
a
n
de
r
Spoel
Adde
d
o
p
tion -wa
t
er t
i
ps3p to pdb2gm
x
.
commit
|
commitdiff
|
tree
2017-10-30
Aleksei Iupi
n
ov
Brin
g
P
M
E
GPU/CUDA int
e
rnal s
t
ruc
t
u
r
e
name
s
t
o
C
a
mel
C
ase
commit
|
commitdiff
|
tree
2017-10-27
Mar
k
Abraham
Fix hw
de
t
e
c
tion more
commit
|
commitdiff
|
tree
2017-10-26
Mark
A
braham
Ne
w
quot
e
commit
|
commitdiff
|
tree
2017-10-20
Mark A
b
raham
Clar
i
fy
d
ocs for Fmax in E
M
commit
|
commitdiff
|
tree
2017-10-20
Mar
k
Abraham
Merge b
r
anch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-10-20
Berk Hess
F
i
x wa
r
ning f
o
r co
n
fout
w
ith peri
o
dic molecules
commit
|
commitdiff
|
tree
2017-10-16
Mark Abraham
Merg
e
branch release-2016
commit
|
commitdiff
|
tree
2017-10-15
Be
r
k Hess
Imp
r
ove vsite
p
a
rallel checking
commit
|
commitdiff
|
tree
2017-10-13
Al
e
ksei Iupinov
Relax
P
M
E s
p
lin
e
computati
o
n
tolerance in double precision
.
.
.
commit
|
commitdiff
|
tree
2017-10-13
M
a
rk Abraham
Upd
a
te tests
f
or C++11 co
m
p
iler and stan
d
ard librar
y
commit
|
commitdiff
|
tree
2017-10-13
Ro
l
and
Schulz
Spe
c
ialize A
r
rayRef for
S
imd
R
e
a
l
commit
|
commitdiff
|
tree
2017-10-11
M
ark Abraham
I
n
trodu
c
ed h
e
ader
for communicatio
n
to/fr
o
m PME ran
k
s
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupi
n
ov
Fix clang wa
r
nings
f
or PME
CUDA kernels
commit
|
commitdiff
|
tree
2017-10-11
Alek
s
ei Iupinov
Rel
a
x PME s
o
lv
i
ng
test compl
e
x grid tolerance
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Cleaned
u
p ewaldcoeff
f
or
PME-
o
n
ly r
a
nks
commit
|
commitdiff
|
tree
2017-10-11
Al
e
ksei Iupinov
PME
s
o
l
ving - CUDA kernel + unit tests
commit
|
commitdiff
|
tree
2017-10-11
Paul
B
a
u
e
r
Ch
a
nge to m
o
dules for build of web documentation
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
I
upinov
PME force
gathering - CUDA kernel
+
unit
tests
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
P
M
E spli
n
e+spr
e
ad CUDA kernel a
n
d unit tes
t
s
commit
|
commitdiff
|
tree
2017-10-11
Mar
k
Abrah
a
m
Use clan
g
-5 in
Jen
k
i
ns
commit
|
commitdiff
|
tree
2017-10-11
Berk Hess
Disable ARM
N
eon nati
v
e rsqrt i
t
er
a
tion
commit
|
commitdiff
|
tree
2017-10-09
Aleks
e
i Iupinov
PME
GPU/
C
UDA data
f
rame
w
ork
.
commit
|
commitdiff
|
tree
2017-10-07
Mark Abra
h
a
m
Tell cp
p
check that
.
cpp
a
nd
.
cu files are c++
commit
|
commitdiff
|
tree
2017-10-07
Roland Sch
u
l
z
Ref
a
ctor l
o
ad+SimdLoad
*
P
r
o
x
yIntern
a
l
to re
d
uce
d
upl
i
cati
o
n
commit
|
commitdiff
|
tree
2017-10-06
Be
r
k H
e
ss
Add S
I
M
D i
n
trinsics versio
n
of simple
u
pdate
commit
|
commitdiff
|
tree
2017-10-06
Berk Hess
Improve PaddedRVecVector resiz
i
ng
commit
|
commitdiff
|
tree
2017-10-06
Aleksei Iupinov
A
dd ti
m
ing accumula
t
io
n
c
a
pability into GpuRe
g
i
o
n
T
im
e
r
commit
|
commitdiff
|
tree
2017-10-05
Berk Hess
Ma
k
e SIMD ambiguous
te
s
t work with float/double
only
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Fix pa
i
r list array
asse
r
tion
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Pál
l
Avoid
-
W
missing-prototypes
w
arnings in clang CUDA builds
commit
|
commitdiff
|
tree
2017-10-05
Rol
a
nd Schulz
Fix that exp(load(x))
i
s ambiguou
s
commit
|
commitdiff
|
tree
2017-10-04
M
ark
Abra
h
am
Enable group-
s
cheme SIMD
w
ith GM
X
_SIMD
=
AVX2_128
commit
|
commitdiff
|
tree
2017-10-04
Aleksei Iup
i
n
ov
Add GpuReg
i
onTimer class
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraha
m
Introduce and
u
se AlignedA
l
locationPo
l
icy
commit
|
commitdiff
|
tree
2017-10-02
Be
r
k Hess
Re
m
o
ve hybrid g
p
u
+
c
pu nonbonde
d
m
o
d
e
commit
|
commitdiff
|
tree
2017-09-26
A
l
e
k
sei Iupi
n
ov
M
o
ve CU
D
A
t
e
xture
set
u
p
code from NB C
U
DA module
t
o
.
.
.
commit
|
commitdiff
|
tree
2017-09-17
Mark Abrah
a
m
Me
r
ge branch
r
el
e
ase-2016
commit
|
commitdiff
|
tree
2017-09-15
Berk Hess
R
emo
v
e
nb-para
m
eters from t_forcerec
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraha
m
Express intent
of matrix release b
u
ild types explicitly
commit
|
commitdiff
|
tree
2017-09-15
M
a
rk Abraham
Bumped
patch version for next rel
e
ase
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Version
2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Ale
k
sei
Iup
i
nov
F
i
x no
n
-SIMD
build failing
commit
|
commitdiff
|
tree
2017-09-14
Szilárd Páll
CUDA 9/V
o
l
ta sup
p
or
t
for th
e
pruning ker
n
e
l
commit
|
commitdiff
|
tree
2017-09-14
Mark Ab
r
a
h
am
Form taskassignment mo
d
u
l
e
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
F
ix
comp
a
t module definition
commit
|
commitdiff
|
tree
2017-09-12
Erik
Lin
d
ahl
Improve accurac
y
of SIMD exp for small args
commit
|
commitdiff
|
tree
2017-09-12
Mark Abraham
Merge
br
a
nch relea
s
e-201
6
commit
|
commitdiff
|
tree
2017-09-12
B
erk Hess
D
o not pass sta
t
e to i
n
i
t_
r
eplica_exc
h
ange
commit
|
commitdiff
|
tree
2017-09-11
Szilá
r
d
P
áll
NVIDIA Volta performance tw
e
aks
commit
|
commitdiff
|
tree
2017-09-11
Berk Hess
Fix P
B
C
bu
g
s in the s
w
ap c
o
de
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
I
n
troduce type-safe GPU emulatio
n
variables
commit
|
commitdiff
|
tree
2017-09-07
Roland Schulz
Add isIntegralConstant type trait
commit
|
commitdiff
|
tree
2017-09-07
Ma
r
k
A
braham
Enab
l
e group-schem
e
SIMD
k
e
rnels on
r
e
cent
A
VX
extensi
o
ns
commit
|
commitdiff
|
tree
2017-09-06
Roland Schulz
PME-gather: Use templated
f
u
nc
t
o
r
instead o
f
prepro
c
essor
commit
|
commitdiff
|
tree
2017-09-05
Ch
r
is
t
oph
J
unghans
Supported quie
t
traje
c
tory-handl
i
ng I/O
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fixe
s
for So
l
a
ris
commit
|
commitdiff
|
tree
2017-09-05
Mar
k
Abr
a
h
am
Fix
use of GPU informa
t
ion for thread-MP
I
s
e
tup
commit
|
commitdiff
|
tree
2017-09-04
B
erk Hess
Fix two
n
b
nxn se
a
rch
i
ndexing
bug
s
commit
|
commitdiff
|
tree
2017-09-04
R
o
l
a
nd
S
chulz
F
i
x accur
a
cy fo
r
cvtD
o
uble2Float/cprod
commit
|
commitdiff
|
tree
2017-09-04
Berk
H
ess
Consol
i
d
a
t
e architec
t
ure booleans
commit
|
commitdiff
|
tree
2017-09-03
Mark A
b
raham
F
i
x compiler flags for usi
n
g
MKL
commit
|
commitdiff
|
tree
2017-09-03
M
ark Abraham
Merg
e
br
a
nch rel
e
a
s
e-5-1 into
releas
e
-201
6
commit
|
commitdiff
|
tree
2017-08-25
Mark
Abraham
Fix flat-bottom
e
d position
restrai
n
ts wit
h
multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
r
a
ham
Run GPU
detection even for mdrun -nb
c
pu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abrah
a
m
Fixed
thread-MPI with non-default -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Abr
a
ham
Fix
missing declar
a
tio
n
of GMX_UNUSED_V
A
LUE
commit
|
commitdiff
|
tree
2017-08-22
Aleksei Iupinov
Separate
P
ME spread and
ga
t
her wallcy
c
le counter
s
commit
|
commitdiff
|
tree
2017-08-22
Ber
k
H
ess
Enable dynamic pa
i
r list pruning
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
raham
Merg
e
branch relea
s
e
-2
0
16
commit
|
commitdiff
|
tree
2017-08-21
Teemu Murtola
Simple u
n
ion-find
structure
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraha
m
Moved increase_n
s
tli
s
t(
)
to nbnxn
_
tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
ark Abraham
Fix c
o
mpilation issue
s
with
A
RM SI
M
D
commit
|
commitdiff
|
tree
2017-08-21
Szilárd Páll
Add
OpenCL pruning
k
ernels and launch/t
i
ming logic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
I
m
prove
a
wkward handling
of GMX_CUDA_TARGET* help
commit
|
commitdiff
|
tree
2017-08-18
Ve
d
ran Miletić
Improve th
e
"files
n
ot present
"
e
r
r
or message
commit
|
commitdiff
|
tree
next