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Extend GPU traits class
2019-10-07
Mark Abrah
a
m
Extend GPU traits class
commit
|
commitdiff
|
tree
2019-10-07
Artem Zhmurov
Clean up the comments sections in Update-Constrai
n
commit
|
commitdiff
|
tree
2019-10-07
A
r
tem
Zhmurov
Fix a bu
g
in
G
P
U halo
e
xchan
g
e
initializati
o
n
commit
|
commitdiff
|
tree
2019-10-03
Ber
k
Hess
Us
e
gm
x
::Range for iZones in pair search
commit
|
commitdiff
|
tree
2019-10-02
C
a
rst
e
n K
u
tzner
Update th
e
www link t
o
t
h
e Doxygen documentation in
.
.
.
commit
|
commitdiff
|
tree
2019-09-30
Sz
i
lárd Páll
Move PME GPU program building later
commit
|
commitdiff
|
tree
2019-09-27
Artem Zhmurov
Slight im
p
ro
v
ements to GPU update/
c
onst
r
aints initialization
commit
|
commitdiff
|
tree
2019-09-27
Szilárd Páll
Switch
G
PU u
p
date off by default
commit
|
commitdiff
|
tree
2019-09-27
A
rtem Zhmurov
Introduce st
r
eam management to
GPU Update-Co
n
s
train
t
s
commit
|
commitdiff
|
tree
2019-09-27
B
e
r
k Hess
E
xtract gmx::Range
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Stop checking CUDA version
r
epo
r
ted by nvcc
commit
|
commitdiff
|
tree
2019-09-22
Arte
m
Z
h
muro
v
D
i
sable
GPU
u
pdate/constraints wh
e
n neithe
r
P
M
E
n
o
r
.
.
.
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
Mak
e
gmx_mul
t
isim_
t
a
C
++ obje
c
t
commit
|
commitdiff
|
tree
2019-09-10
Mark
A
b
r
aham
Av
o
id war
n
ing in no-mpi
b
u
ild
commit
|
commitdiff
|
tree
2019-09-10
Artem Zhmurov
Mak
i
ng Dev
i
ceBuf
f
er availibl
e
in non-GPU builds
commit
|
commitdiff
|
tree
2019-09-10
Paul
Bauer
Ad
d
indication on how to enable Im
a
geMagi
c
k convert
commit
|
commitdiff
|
tree
2019-09-09
Szil
á
rd
P
áll
Assert the type
s
of OpenC
L
k
e
rnels arguments
commit
|
commitdiff
|
tree
2019-08-25
Artem Zhmurov
Make use of recent cha
n
g
es to pr
e
pare
K
erne
l
Argumen
t
s
.
.
.
commit
|
commitdiff
|
tree
2019-08-25
Artem Zhmurov
Misceleneous improv
e
me
n
ts to the Leap Frog
test
s
commit
|
commitdiff
|
tree
2019-08-20
Mar
k
Abraham
Apply clang-
t
idy-8 read
a
bility-uppercase-
l
iter
a
l-s
u
f
f
ix
commit
|
commitdiff
|
tree
2019-08-20
Mark
Abraha
m
Use pote
n
tial-shift
as defau
l
t
m
odifier
commit
|
commitdiff
|
tree
2019-08-09
B
erk Hess
Move bo
n
d
e
d function
t
ab
l
e into
b
onded
.
cpp
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
Initialize
g
mx_ekindata_t and t_vcm
properly
commit
|
commitdiff
|
tree
2019-08-06
Artem
Z
hm
u
rov
Fix for
cmake li
s
ts in mdl
i
b
test
s
commit
|
commitdiff
|
tree
2019-07-31
A
r
tem Zhmurov
Change the file structure in con
s
traints
tests
commit
|
commitdiff
|
tree
2019-07-31
Szilárd P
á
ll
Store wcyc
l
e point
e
r
i
n nonbonde
d
_
v
erlet_t
commit
|
commitdiff
|
tree
2019-07-26
Artem Zhmurov
R
emove PImpl scaf
f
ol
d
i
n
g
from CUDA version of SETTL
E
commit
|
commitdiff
|
tree
2019-07-05
K
e
vin Boyd
Change erro
r
m
e
ssage when
at
t
empting to
o
f
f
load t
o
.
.
.
commit
|
commitdiff
|
tree
2019-07-05
Artem Zh
m
urov
Remov
e
PI
m
pl scaffold
i
ng
from
CUDA version of LINCS
commit
|
commitdiff
|
tree
2019-07-04
Artem Zhmurov
Use reallocate
D
eviceBuffer(
.
.
.
) in CUDA v
e
r
s
io
n
of
.
.
.
commit
|
commitdiff
|
tree
2019-07-03
A
r
tem Zhmurov
Early exit for CUDA version
s
of
S
E
T
TLE and
LINCS
commit
|
commitdiff
|
tree
2019-07-03
Artem Zhmu
r
ov
M
emory management fixes i
n
C
UDA version of LIN
C
S
commit
|
commitdiff
|
tree
2019-06-28
Szilárd
Páll
S
e
p
a
r
a
te CPU N
B
ker
n
e
l
a
nd b
u
ffer clearin
g
subcounters
commit
|
commitdiff
|
tree
2019-06-28
Magnus
Lundbor
g
Fused GPU bo
n
de
d
kernels
commit
|
commitdiff
|
tree
2019-06-18
Artem Zhmurov
Combi
n
e CUD
A
Leap
-
Fr
o
g, LINCS an
d
SETTLE
.
I
.
commit
|
commitdiff
|
tree
2019-05-24
Ar
t
em Z
h
m
u
rov
Clarify whic
h
o
f
the m
a
in energy term
s
a
r
e printed
.
commit
|
commitdiff
|
tree
2019-05-13
P
au
l
Bauer
Fix
math f
o
rma
t
ting in reference manual
commit
|
commitdiff
|
tree
2019-05-12
Artem Zh
m
uro
v
C
U
DA version of Leap-Frog integrat
o
r with ba
s
ic
t
ests
commit
|
commitdiff
|
tree
2019-05-06
Mark Abraham
I
m
prove how
m
drun -noappend names outp
u
t files
commit
|
commitdiff
|
tree
2019-05-02
Artem Zhmurov
Use test
with p
a
rameters for En
e
r
g
yOutpu
t
commit
|
commitdiff
|
tree
2019-04-30
Artem Zhmurov
CUDA
v
ersion of SETTLE algorit
h
m wi
t
h basic t
e
sts
commit
|
commitdiff
|
tree
2019-04-29
Artem Zhmurov
Fix for the
C
UDA version of LINCS
commit
|
commitdiff
|
tree
2019-04-28
A
rtem Zhmu
r
ov
CUDA ve
r
sion of
L
INCS const
r
aints
.
commit
|
commitdiff
|
tree
2019-04-04
Car
s
ten
K
u
tz
n
er
E
a
rly ex
i
t from md
r
un if g
r
oup scheme is detect
e
d in
.
.
.
commit
|
commitdiff
|
tree
2019-04-04
Artem
Zhmurov
Remove isPressureCou
p
lingStep
(
.
.
.
)
commit
|
commitdiff
|
tree
2019-04-04
Ar
t
em Zhmurov
Remove isTemperatureCouplingStep(
.
.
.
)
commit
|
commitdiff
|
tree
2019-03-13
Artem Zhmuro
v
Basic r
o
u
tines t
o
handle per
i
odic boundary
.
commit
|
commitdiff
|
tree
2019-02-19
Artem Zhm
u
rov
PBC setup for GPU i
s
m
o
ved into pbcutils
.
commit
|
commitdiff
|
tree
2019-02-13
Artem
Z
h
muro
v
Ignore Visu
a
l
Stu
d
io Code metada
t
a
.
commit
|
commitdiff
|
tree