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Import cmake Modules/FindCUDA.cmake
2017-11-10
Mark
Abraham
Import cmak
e
M
odules/F
i
ndC
U
D
A
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Aleksei Iupinov
Rename synchronous GPU transfer functions
t
o match
.
.
.
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Pr
e
pare
d
t
_mdatoms for us
i
ng
vect
o
r
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Intr
o
d
u
ce HostAllo
c
ationP
o
licy
commit
|
commitdiff
|
tree
2017-11-09
Ro
l
and Schu
l
z
ICC should use ZM
M
if c
o
de anyhow uses
ZMM
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abraham
Re
f
o
rm g
m
x_pme
_
pp alloc and use
v
ector
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Introduce gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abraham
Test clang
o
n ARM in nightly
m
a
trix
commit
|
commitdiff
|
tree
2017-11-07
Szil
á
rd
P
ál
l
Add wallcycle
t
im
e
r for t
h
e
PME GPU F
r
eduction
commit
|
commitdiff
|
tree
2017-11-07
S
z
ilá
r
d
P
áll
Spli
t
off
n
b
nxn
GPU
t
i
ming an
d
staging reduc
t
ion
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
I
m
p
r
ove PME in
c
l
u
d
es
commit
|
commitdiff
|
tree
2017-11-07
S
zilá
r
d Pál
l
Deduplicat
e
CUDA and OpenCL tim
e
r s
t
ruct
commit
|
commitdiff
|
tree
2017-11-06
David
v
a
n
de
r
Spoel
Fixed check for
w
ater in gen_vsite
.
cpp
commit
|
commitdiff
|
tree
2017-11-03
Mark
Abraham
M
e
r
ge "Merge b
r
anch
release-2016"
commit
|
commitdiff
|
tree
2017-11-02
David van
der Spoel
New mdp input for el
e
ctric fields
.
commit
|
commitdiff
|
tree
2017-11-02
Al
e
ksei Iupinov
Rep
l
a
ce
m
ath
.
h by cma
t
h includes in
cpp files
commit
|
commitdiff
|
tree
2017-11-02
M
ar
k
A
br
a
h
am
Merge branch rele
a
se-201
6
commit
|
commitdiff
|
tree
2017-11-01
Pau
l
Bauer
Small change
to LaT
e
X manual generation
commit
|
commitdiff
|
tree
2017-11-01
Mark Abrah
a
m
Fix th
r
ead-MPI rank choice for orie
n
ta
t
i
on restrain
t
s
commit
|
commitdiff
|
tree
2017-11-01
A
l
eksei I
u
p
inov
Re
m
ove u
n
used PME GPU dec
l
a
r
a
tio
n
s
commit
|
commitdiff
|
tree
2017-11-01
A
leks
e
i Iupinov
M
o
ve pme_g
p
u_fi
n
i
sh_co
m
putation(
)
documentation
to
.
.
.
commit
|
commitdiff
|
tree
2017-11-01
Paul Bauer
Fixing m
i
ssing references in web docu
m
entat
i
on
commit
|
commitdiff
|
tree
2017-11-01
Aleksei Iupinov
Fix er
r
oneous PME G
P
U "step" namings
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Impr
o
ve
h
andling o
f
GPU IDs
commit
|
commitdiff
|
tree
2017-11-01
Aleksei
I
upino
v
Simp
l
ify PME
G
P
U
s
ynchronization code
commit
|
commitdiff
|
tree
2017-10-31
Alek
s
ei Iupinov
Re
u
se
e
pbcXY logic
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix nstlist in
c
rease warning pr
i
nt
commit
|
commitdiff
|
tree
2017-10-31
S
zilárd Páll
Ch
e
ck CUDA av
a
ilable/compiled
code compatib
i
lity
commit
|
commitdiff
|
tree
2017-10-30
Aleksei Iup
i
nov
Fix
r
eference mo
d
e
b
u
il
d
unused
function wa
r
ni
n
gs
commit
|
commitdiff
|
tree
2017-10-30
B
erk Hess
Remove unus
e
d sign parame
t
er f
r
om d
i
h_angle()
commit
|
commitdiff
|
tree
2017-10-30
Rol
a
nd S
c
hulz
ArrayR
e
f: Replace fromVector with
subArray
commit
|
commitdiff
|
tree
2017-10-30
D
a
vid va
n
de
r
Sp
o
el
Added op
t
ion -wat
e
r ti
p
s
3
p to pdb2gmx
.
commit
|
commitdiff
|
tree
2017-10-30
Aleks
e
i Iupinov
Bring PME GPU/CUDA
i
nternal
structure n
a
mes to
Cam
e
lC
a
se
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
Fix
hw detection more
commit
|
commitdiff
|
tree
2017-10-26
Ma
r
k Abraham
New quote
commit
|
commitdiff
|
tree
2017-10-20
Mar
k
Abraham
Clarify docs for
F
m
ax in
E
M
commit
|
commitdiff
|
tree
2017-10-20
Mar
k
Abra
h
am
Merge bran
c
h release-2016
commit
|
commitdiff
|
tree
2017-10-20
B
erk
H
ess
Fix warning for confo
u
t with periodic m
o
lecule
s
commit
|
commitdiff
|
tree
2017-10-16
Mark Abraham
M
e
rge branch release
-
2016
commit
|
commitdiff
|
tree
2017-10-15
Berk Hess
Improve vsite para
l
lel checking
commit
|
commitdiff
|
tree
2017-10-13
Aleks
e
i
Iupinov
Relax PME spline computation tolerance i
n
do
u
ble precision
.
.
.
commit
|
commitdiff
|
tree
2017-10-13
Ma
r
k Abraham
U
p
dat
e
tests
for
C
++11
c
ompiler and standard libr
a
ry
commit
|
commitdiff
|
tree
2017-10-13
Roland Sch
u
lz
Spec
i
alize ArrayR
e
f
for Si
m
dReal
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Introd
u
ce
d
he
a
der for
c
o
mmunication to/fr
o
m P
M
E
ranks
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
Fix clang warnings for PME CUDA kern
e
l
s
commit
|
commitdiff
|
tree
2017-10-11
A
le
k
se
i
Iupin
o
v
Relax P
M
E solving test c
o
mplex
g
r
i
d
t
olerance
commit
|
commitdiff
|
tree
2017-10-11
Ma
r
k Abraham
Cleaned up
e
wald
c
oe
f
f for PME-only r
a
nks
commit
|
commitdiff
|
tree
2017-10-11
Alek
s
ei I
u
p
inov
PME
s
o
l
ving -
C
U
D
A kernel + unit tests
commit
|
commitdiff
|
tree
2017-10-11
Paul Bau
e
r
Change to m
o
dules for build of we
b
d
o
cumentation
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
PME force gather
i
ng
- CUDA
kernel + unit tests
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
I
upinov
PME spline+s
p
read
CUDA kernel a
n
d unit tests
commit
|
commitdiff
|
tree
2017-10-11
Ma
r
k A
b
ra
h
am
Us
e
cl
a
ng
-
5
in
J
enkins
commit
|
commitdiff
|
tree
2017-10-11
B
er
k
Hess
D
isab
l
e
ARM N
e
o
n
native rsqrt
i
teration
commit
|
commitdiff
|
tree
2017-10-09
Aleksei
Iupinov
P
ME GPU/
C
UDA data framework
.
commit
|
commitdiff
|
tree
2017-10-07
Mar
k
A
b
raham
Tell
cppcheck
t
hat
.
cpp and
.
cu files are c
+
+
commit
|
commitdiff
|
tree
2017-10-07
Roland Sch
u
lz
Refacto
r
l
o
ad
+
SimdLoad*ProxyInte
r
nal
t
o re
d
uce duplication
commit
|
commitdiff
|
tree
2017-10-06
Berk
H
ess
Ad
d
SI
M
D intri
n
sics
version of simple update
commit
|
commitdiff
|
tree
2017-10-06
Berk Hess
Improve PaddedRV
e
cVector
r
esiz
i
ng
commit
|
commitdiff
|
tree
2017-10-06
A
leksei
Iupinov
Add
t
iming
accumulation
capability into Gp
u
RegionTi
m
er
commit
|
commitdiff
|
tree
2017-10-05
Berk He
s
s
Make SIMD ambiguo
u
s te
s
t wo
r
k with
floa
t
/double
only
commit
|
commitdiff
|
tree
2017-10-05
Szi
l
árd Pá
l
l
Fi
x
pair list array assertion
commit
|
commitdiff
|
tree
2017-10-05
Szilá
r
d Páll
Avoid
-Wmissi
n
g-pr
o
totype
s
warnings in c
l
ang C
U
DA
bui
l
d
s
commit
|
commitdiff
|
tree
2017-10-05
Roland
S
chulz
F
i
x that
e
xp(load(x))
i
s ambiguous
commit
|
commitdiff
|
tree
2017-10-04
Mark Abraham
Enable
g
roup-scheme SIMD with GMX_SIMD=AVX2
_
128
commit
|
commitdiff
|
tree
2017-10-04
Ale
k
sei Iupinov
Add
GpuRegionTim
e
r class
commit
|
commitdiff
|
tree
2017-10-03
Mar
k
A
braha
m
Intr
o
duce and us
e
A
lignedAl
l
ocationPolicy
commit
|
commitdiff
|
tree
2017-10-02
Be
r
k
Hess
Remove hyb
r
id
gpu+cpu nonbond
e
d mode
commit
|
commitdiff
|
tree
2017-09-26
Aleksei Iupinov
Mov
e
CUDA
texture se
t
up code fro
m
NB C
U
DA module
to
.
.
.
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
Merge branch rel
e
a
se-2016
commit
|
commitdiff
|
tree
2017-09-15
Berk Hess
Remove nb-parame
t
ers from
t
_f
o
rce
r
ec
commit
|
commitdiff
|
tree
2017-09-15
Ma
r
k Abrah
a
m
Express inten
t
of ma
t
rix re
l
ease build types explicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraha
m
Bumped patch
v
ers
i
on
f
o
r
next release
commit
|
commitdiff
|
tree
2017-09-15
M
a
rk Abraham
Version 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Aleksei Iupi
n
ov
Fix non-SIMD build
failing
commit
|
commitdiff
|
tree
2017-09-14
Szi
l
árd P
á
l
l
CUDA 9/Volt
a
support for the pr
u
n
i
n
g kernel
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form taskassignment mo
d
ule
commit
|
commitdiff
|
tree
2017-09-14
Mar
k
Abraham
Fix comp
a
t module d
e
fini
t
ion
commit
|
commitdiff
|
tree
2017-09-12
Erik Lin
d
ahl
I
mprove ac
c
uracy of SI
M
D e
x
p f
o
r
small
args
commit
|
commitdiff
|
tree
2017-09-12
Mark Abraham
Merge branch
release-201
6
commit
|
commitdiff
|
tree
2017-09-12
Berk Hess
Do
n
ot
pass state to i
n
it_replica_ex
c
hange
commit
|
commitdiff
|
tree
2017-09-11
Szil
á
rd Páll
NVIDIA Volta performance tweaks
commit
|
commitdiff
|
tree
2017-09-11
Berk Hess
Fix PBC bugs in th
e
swap
code
commit
|
commitdiff
|
tree
2017-09-07
Mark Abra
h
am
I
n
t
roduce type-safe GPU emulation v
a
riab
l
es
commit
|
commitdiff
|
tree
2017-09-07
Rol
a
n
d
Schulz
Add
isI
n
tegra
l
Constant
type trait
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
Enable group
-
scheme SIMD kernels on recent
AVX
extensions
commit
|
commitdiff
|
tree
2017-09-06
Roland Schul
z
PME-gather: U
s
e templated functo
r
i
nstead
o
f preprocessor
commit
|
commitdiff
|
tree
2017-09-05
C
h
r
i
stoph Junghans
Supported quiet
t
rajecto
r
y-
h
a
n
dling
I/O
commit
|
commitdiff
|
tree
2017-09-05
M
a
r
k
A
b
rah
a
m
Fixes for Sol
a
ris
commit
|
commitdiff
|
tree
2017-09-05
Mark Ab
r
aha
m
Fix use o
f
GPU i
n
formation fo
r
thread-MPI setup
commit
|
commitdiff
|
tree
2017-09-04
Berk Hess
Fix two nbnxn search i
n
dexi
n
g
b
u
g
s
commit
|
commitdiff
|
tree
2017-09-04
Roland S
c
hulz
Fix acc
u
racy for cvtDoub
l
e2Flo
a
t/cp
r
od
commit
|
commitdiff
|
tree
2017-09-04
Berk Hess
Co
n
so
l
idate architecture booleans
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
F
i
x
com
p
iler
f
lags for
using MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abr
a
ham
Merge bra
n
ch release-5-1 into re
l
ease-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abraham
F
ix flat-bottomed
p
o
s
i
tion re
s
tr
a
ints with multip
l
e
.
.
.
commit
|
commitdiff
|
tree
2017-08-22
M
ark Abraham
Run GPU detection e
v
e
n for mdrun
-nb cpu
commit
|
commitdiff
|
tree
2017-08-22
M
a
rk
Abraham
Fix
e
d
t
h
r
ead-MP
I
with non-default
-
npme
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
r
a
ham
Fix mis
s
ing
dec
l
aration
o
f
GMX_UNUSED_VA
L
UE
commit
|
commitdiff
|
tree
2017-08-22
A
l
e
ksei Iupinov
Separate P
M
E
s
p
r
e
ad
a
n
d
ga
t
her wallcycl
e
counters
commit
|
commitdiff
|
tree
2017-08-22
Berk Hes
s
Enable
d
y
namic pair lis
t
pruning
commit
|
commitdiff
|
tree
next