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Link GPU coordinate producer and consumer tasks
2019-10-15
Szilárd P
á
ll
Lin
k
GPU coordinate producer
a
nd
c
onsumer tasks
commit
|
commitdiff
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tree
2019-10-14
Artem Zhmur
o
v
A
dd
separate
c
o
nstructor to
S
tatePro
p
agat
o
rData
G
pu
.
.
.
commit
|
commitdiff
|
tree
2019-10-13
Szilá
r
d Páll
E
n
able S
t
atePropagatorG
p
uData for force tran
s
f
e
rs
commit
|
commitdiff
|
tree
2019-10-13
S
zilárd Pá
l
l
Move bu
f
fer ops /
PME F reduct
i
on flags into St
e
pWor
k
load
commit
|
commitdiff
|
tree
2019-10-12
Artem Z
h
murov
Ce
n
tra
l
ize
m
anagement of
for
c
es ready on GPU event
commit
|
commitdiff
|
tree
2019-10-12
Artem Zhm
u
rov
Ch
a
n
ge copy
mo
d
e to Async i
n
PME o
n
ly rank
commit
|
commitdiff
|
tree
2019-10-11
Artem
Z
hmurov
Wrong locality w
a
s used when ignoring
the
PME fo
r
c
e
.
.
.
commit
|
commitdiff
|
tree
2019-10-10
Sz
i
lárd P
á
ll
Migra
t
e code to using Si
m
ulationWor
k
l
o
ad
flags
commit
|
commitdiff
|
tree
2019-10-10
Szilá
r
d Páll
Remove inco
r
rect GPU
t
ask
d
ep
e
ndency
commit
|
commitdiff
|
tree
2019-10-10
S
z
ilár
d
Páll
Pass
li
s
t of E
v
e
ntS
y
nchronizers
t
o GPU reduction
commit
|
commitdiff
|
tree
2019-10-10
Paul
B
au
e
r
B
a
sic po
p
u
lation of simulation
workload
commit
|
commitdiff
|
tree
2019-10-10
Ar
t
em
Z
h
m
u
r
ov
Ad
d
management for veloci
t
ies and forces
copy
e
v
ents
.
.
.
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Add
m
anagement for coordi
n
ates copy events into StatePropaga
.
.
.
commit
|
commitdiff
|
tree
2019-10-07
Arte
m
Zhmurov
Pass the GPU strea
m
s
t
o State
P
ropagato
r
DataGpu co
n
structor
commit
|
commitdiff
|
tree
2019-10-07
Mark Abr
a
ham
Ext
e
n
d
GP
U
tra
i
t
s class
commit
|
commitdiff
|
tree
2019-10-07
A
rtem Zhmurov
Clean up
t
he comm
e
nts sections i
n
Update-Constrain
commit
|
commitdiff
|
tree
2019-10-07
Artem Zhmurov
Fix a bug in GPU
h
a
lo exchange
initialization
commit
|
commitdiff
|
tree
2019-10-03
Berk Hess
Use gmx::Range
for iZones in
pair sea
r
ch
commit
|
commitdiff
|
tree
2019-10-02
Ca
r
sten
Kutzner
Update the www link to
the Doxyg
e
n docu
m
entatio
n
in
.
.
.
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Páll
Mov
e
PME GPU pro
g
ram building lat
e
r
commit
|
commitdiff
|
tree
2019-09-27
A
r
tem Zhmurov
Slig
h
t i
m
pro
v
e
m
ents to GP
U
upd
a
te/c
o
nstraints initi
a
lization
commit
|
commitdiff
|
tree
2019-09-27
Szilárd Pá
l
l
Switch GPU u
p
d
ate o
f
f
by default
commit
|
commitdiff
|
tree
2019-09-27
Artem Zhmurov
Int
r
oduce
stream
management to GPU Up
d
ate-Constraints
commit
|
commitdiff
|
tree
2019-09-27
Berk Hess
E
x
tra
c
t gmx::Range
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
St
o
p
checking CUDA v
e
rsion rep
o
rted by nvcc
commit
|
commitdiff
|
tree
2019-09-22
Ar
t
em Z
h
murov
Disable GPU u
p
date/constraints w
h
en nei
t
h
e
r PME nor
.
.
.
commit
|
commitdiff
|
tree
2019-09-11
Mark
A
braham
Make gmx_multisim_
t
a C++ object
commit
|
commitdiff
|
tree
2019-09-10
Mark Abra
h
a
m
Avoid warning i
n
no-mpi build
commit
|
commitdiff
|
tree
2019-09-10
Art
e
m Zhmurov
Ma
k
ing DeviceBuffe
r
availible
i
n
non-GPU builds
commit
|
commitdiff
|
tree
2019-09-10
P
a
ul Bauer
A
dd indic
a
tion
o
n
h
ow to
e
nable ImageMagick conve
r
t
commit
|
commitdiff
|
tree
2019-09-09
S
zilárd Páll
Assert the types o
f
OpenCL kerne
l
s
arguments
commit
|
commitdiff
|
tree
2019-08-25
A
r
tem Zhmurov
Make
use of recent c
h
anges to prepareKernelAr
g
uments
.
.
.
commit
|
commitdiff
|
tree
2019-08-25
Artem Zhmurov
Misceleneous impr
o
vements to the Le
a
p
Frog te
s
ts
commit
|
commitdiff
|
tree
2019-08-20
Mark A
b
r
aham
Apply
c
lang-tidy-8 r
e
adability-up
p
ercase-li
t
eral-suffi
x
commit
|
commitdiff
|
tree
2019-08-20
Mark A
b
r
a
ham
U
se
p
ot
e
n
t
ial-s
h
ift as def
a
ult mo
d
i
f
ier
commit
|
commitdiff
|
tree
2019-08-09
Berk Hess
Move
b
onded functi
o
n table into
bonded
.
cp
p
commit
|
commitdiff
|
tree
2019-08-08
Mar
k
Abraham
Initialize gmx_
e
kindata_t and t_vcm properly
commit
|
commitdiff
|
tree
2019-08-06
Artem Z
h
murov
Fix
f
o
r
cmak
e
l
is
t
s in mdlib t
e
sts
commit
|
commitdiff
|
tree
2019-07-31
Artem Zh
m
urov
Change the fil
e
structu
r
e in constraints tests
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Store wcycle pointer i
n
nonbonded_verlet_t
commit
|
commitdiff
|
tree
2019-07-26
A
rtem
Z
hmu
r
ov
Re
m
ove P
I
mpl s
c
affolding
from CUDA v
e
rsion of
S
ETTLE
commit
|
commitdiff
|
tree
2019-07-05
Kevin Boyd
Cha
n
ge error message w
h
en attem
p
ting
t
o
o
ffl
o
ad to
.
.
.
commit
|
commitdiff
|
tree
2019-07-05
Ar
t
em
Zhmurov
Remove PImp
l
sca
f
folding
from CUDA version of LINCS
commit
|
commitdiff
|
tree
2019-07-04
Artem Zhmurov
Use rea
l
locateDeviceBuffer
(
.
.
.
) in CUDA version of
.
.
.
commit
|
commitdiff
|
tree
2019-07-03
Artem Zhmurov
Early
exit for CUDA v
e
r
s
ions of SETTLE and
L
INCS
commit
|
commitdiff
|
tree
2019-07-03
Artem
Zhmurov
M
e
m
ory
m
anag
e
ment fixes
in CUDA version
of LINCS
commit
|
commitdiff
|
tree
2019-06-28
Sz
i
lár
d
Páll
Separat
e
CPU NB kernel a
n
d buffer clearing subcounters
commit
|
commitdiff
|
tree
2019-06-28
Mag
n
us Lun
d
borg
Fus
e
d GPU bonded k
e
rnels
commit
|
commitdiff
|
tree
2019-06-18
Art
e
m Zhmurov
Combine CU
D
A Leap-Frog, LINCS
and SETTLE
.
I
.
commit
|
commitdiff
|
tree
2019-05-24
Artem Zhmurov
C
l
arify which of the main energ
y
terms are
p
rinte
d
.
commit
|
commitdiff
|
tree
2019-05-13
Paul
Baue
r
F
i
x math fo
r
mat
t
ing i
n
refe
r
ence manu
a
l
commit
|
commitdiff
|
tree
2019-05-12
Artem Z
h
m
urov
C
U
DA vers
i
on of Leap-Fr
o
g i
n
tegr
a
tor
with basi
c
test
s
commit
|
commitdiff
|
tree
2019-05-06
Mark Abr
a
ham
Improv
e
how mdrun -noappend n
a
mes o
u
tput f
i
les
commit
|
commitdiff
|
tree
2019-05-02
Artem Zhmuro
v
Use test
w
ith
parameters
for
E
ne
r
g
y
Output
commit
|
commitdiff
|
tree
2019-04-30
A
rtem Zhm
u
rov
CUDA
v
ersi
o
n
o
f
SETTLE al
g
orithm with
b
as
i
c
tests
commit
|
commitdiff
|
tree
2019-04-29
Artem Zhmurov
F
i
x
for the
CUDA vers
i
on of L
I
N
CS
commit
|
commitdiff
|
tree
2019-04-28
Art
e
m
Z
hmu
r
ov
CUDA vers
i
on of LINCS co
n
straints
.
commit
|
commitdiff
|
tree
2019-04-04
C
a
r
ste
n
K
u
tz
n
e
r
Early
e
xit fro
m
md
r
un if group sche
m
e is detecte
d
in
.
.
.
commit
|
commitdiff
|
tree
2019-04-04
Artem Zhmurov
Remo
v
e
isPr
e
ssureCouplingStep(
.
.
.
)
commit
|
commitdiff
|
tree
2019-04-04
Artem Zhm
u
rov
Rem
o
ve
i
sTemperatur
e
Cou
p
lingStep(
.
.
.
)
commit
|
commitdiff
|
tree
2019-03-13
A
r
tem Zhmurov
B
a
sic
routines to h
a
n
dle
p
e
r
io
d
ic boundary
.
commit
|
commitdiff
|
tree
2019-02-19
Artem
Zhmur
o
v
PBC
s
etup for GPU
i
s moved into pbcutils
.
commit
|
commitdiff
|
tree
2019-02-13
Artem Zhmurov
Ignore Vi
s
ual Studio Code metadata
.
commit
|
commitdiff
|
tree