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Remove the CPU hardware context from the general list of test hardware contexts
2020-09-17
A
rtem Z
h
murov
Rem
o
v
e the CPU hardwar
e
cont
e
xt from the
gene
r
a
l
l
i
st
.
.
.
commit
|
commitdiff
|
tree
2020-09-15
Artem Zhmurov
Use common de
v
ice context header for OpenC
L
commit
|
commitdiff
|
tree
2020-09-15
Artem Zhmurov
F
i
x VSite out of
r
ange
e
rror me
s
sa
g
e
commit
|
commitdiff
|
tree
2020-09-14
Arte
m
Z
h
m
urov
U
se comm
o
n devi
c
e c
o
n
t
ext header
f
or
O
penCL
commit
|
commitdiff
|
tree
2020-09-11
Artem Z
h
m
u
rov
D
ef
i
ne s
t
ubs for GPU data struct
u
res in SY
C
L
to
mak
e
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
A
r
tem Zhmurov
Use common
device
context h
e
ader
f
or OpenCL
commit
|
commitdiff
|
tree
2020-09-10
Ar
t
em Zh
m
urov
Use device
information
o
bject instead of id w
h
en
p
e
r
f
orm
i
ng
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
Artem Zhmurov
Unify more
funct
i
ons in CUDA
and OpenCL implementations
.
.
.
commit
|
commitdiff
|
tree
2020-09-09
Artem Zhmurov
Restore GM
X
_
F
OR
C
E_UPDATE_DEF
A
U
LT
_
GPU e
n
viron
m
e
n
t varible
.
.
.
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmu
r
ov
Remove
i
n-bod
y
comment
f
rom
i
nit_forc
e
r
ec(
.
.
.
) function
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmurov
Fix c
l
ang-format
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmurov
Access the
device
s
ta
t
u
s dir
e
ctly,
remove th
e
getter
commit
|
commitdiff
|
tree
2020-08-24
Artem Zhmurov
Move GPU devic
e
s management into hard
w
are su
b
folder
commit
|
commitdiff
|
tree
2020-08-14
A
rt
e
m Zhm
u
rov
Fix
De
v
iceStreamManag
e
r
t
e
sts
commit
|
commitdiff
|
tree
2020-07-29
Artem Zhmur
o
v
Rever
t
c++-
1
7 feat
u
re
s
th
a
t are not supported by CUDA
.
.
.
commit
|
commitdiff
|
tree
2020-07-29
Artem Zhmurov
R
e
vert c++-17 fea
t
ur
e
s
t
h
a
t are n
o
t
supp
o
rt
e
d
b
y CUDA
.
.
.
commit
|
commitdiff
|
tree
2020-07-27
Art
e
m Zhmurov
Fix clang-tidy warning
commit
|
commitdiff
|
tree
2020-07-15
A
r
tem Zhmuro
v
Fix the suspicio
u
s string lit
e
ra
l
error in GPU
s
tatus
.
.
.
commit
|
commitdiff
|
tree
2020-07-07
Artem Zh
m
uro
v
Make c
l
_
nbparam into a s
t
ruct
commit
|
commitdiff
|
tree
2020-06-26
Ar
t
em Zhmu
r
o
v
M
ake holder for simulat
i
on configur
a
t
ion
commit
|
commitdiff
|
tree
2020-06-25
Artem Zhmurov
Make cl_nbpa
r
am into a
s
truct
commit
|
commitdiff
|
tree
2020-06-24
Artem
Z
hmurov
Fi
x
m
inor nit-pi
c
ks
commit
|
commitdiff
|
tree
2020-06-22
Artem Zhmurov
Remove Devi
c
eStream in
c
lude fro
m
GPU trai
t
s
commit
|
commitdiff
|
tree
2020-06-16
Artem Zhmurov
Add m
i
ssing end-of-line in the
GPU upd
a
te a
s
signment
.
.
.
commit
|
commitdiff
|
tree
2020-06-12
Artem Zhmurov
R
e
place compile_cpp
_
as_cud
a
(
.
.
.
) with CUDA run
t
ime
.
.
.
commit
|
commitdiff
|
tree
2020-06-09
Artem Zhmurov
M
a
ke SD
s
tuff privat
e
for update
.
cpp
commit
|
commitdiff
|
tree
2020-06-09
Ar
t
em Zhmurov
Make S
D
stuff private for update
.
cpp
commit
|
commitdiff
|
tree
2020-06-08
A
r
tem Z
h
murov
Move constraints relat
e
d logic to constr
a
ints file
commit
|
commitdiff
|
tree
2020-06-08
Artem Zhmurov
Unif
y
VdW and Electrostatic k
e
r
n
el enumeration
s
i
n
.
.
.
commit
|
commitdiff
|
tree
2020-06-05
Artem Zhmurov
M
o
ve calculation of kin
e
tic energy to md_supp
o
rt
commit
|
commitdiff
|
tree
2020-06-05
Ar
t
em Z
h
murov
Make a error message le
s
s confusing
commit
|
commitdiff
|
tree
2020-06-04
A
r
tem Zhmurov
M
a
ke
a er
r
or m
e
ssage
less confusi
n
g
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmurov
Update the relea
s
e notes
commit
|
commitdiff
|
tree
2020-06-04
Artem
Zhmurov
C
ool quo
t
e
commit
|
commitdiff
|
tree
2020-05-29
Artem
Zhmurov
Unif
y
initialization of GPU and
C
PU SETTLE
commit
|
commitdiff
|
tree
2020-05-26
Artem Zhmu
r
ov
Rem
o
ve the dependence on C
o
nstrai
n
t
s
o
bjec
t
on t_mdatoms
commit
|
commitdiff
|
tree
2020-05-25
Artem Zhmuro
v
Remove dependence on t_mdatoms from G
P
U version of
.
.
.
commit
|
commitdiff
|
tree
2020-05-23
Artem Z
h
murov
Remov
e
dependence on t_mdatoms fr
o
m pull code
commit
|
commitdiff
|
tree
2020-05-22
A
r
t
em Zhmurov
Remove dependence of constraints on
t
_mda
t
o
ms
commit
|
commitdiff
|
tree
2020-05-22
A
r
tem Zhmur
o
v
Re
m
ove
dependence o
f
co
n
straints
o
n
t_mda
t
o
ms
commit
|
commitdiff
|
tree
2020-05-15
Artem Zhmurov
Unif
y
CUDA
and OpenCL lookup-tabl
e
c
reat
i
on
commit
|
commitdiff
|
tree
2020-05-11
Artem Zhmurov
Remove the d
u
plicating not
e
from th
e
release notes
commit
|
commitdiff
|
tree
2020-05-11
Artem Zhmurov
Unify
C
UD
A
a
n
d Open
C
L lookup-tabl
e
creation
commit
|
commitdiff
|
tree
2020-05-05
Arte
m
Zhm
u
rov
U
n
ify CU
D
A and
Open
C
L lookup-table cre
a
tio
n
commit
|
commitdiff
|
tree
2020-05-04
Artem Zhmurov
Unify C
U
D
A and
Ope
n
CL lookup-table c
r
eatio
n
commit
|
commitdiff
|
tree
2020-04-29
Artem Zh
m
urov
Fix the number of step
s
check when check
p
oint is
l
oade
d
commit
|
commitdiff
|
tree
2020-04-27
Artem Zh
m
urov
F
i
x the
r
emoval of
C
OM velocity in case of GP
U
u
pdate
commit
|
commitdiff
|
tree
2020-04-27
Art
e
m Zh
m
urov
Move PB
C
se
t
u
p
out of the lau
n
chKer
n
el(
.
.
.
) in GP
U
.
.
.
commit
|
commitdiff
|
tree
2020-04-20
Artem Zhmur
o
v
Fix
the number of steps
c
heck when
c
heckpoint is loaded
commit
|
commitdiff
|
tree
2020-04-16
Artem Zhmurov
Ne
w
c
o
o
l quote
commit
|
commitdiff
|
tree
2020-04-16
Art
e
m Zhmurov
Unify CUDA
and
O
penCL lookup
-
ta
b
l
e c
r
eati
o
n
commit
|
commitdiff
|
tree
2020-03-25
Artem Zhmu
r
ov
Make use of t
h
e DeviceStreamManager
commit
|
commitdiff
|
tree
2020-03-23
Artem
Zhmurov
In
t
r
o
duce De
v
iceStre
a
mManager
commit
|
commitdiff
|
tree
2020-03-20
Artem
Z
hmurov
Add OpenC
L
er
r
or repor
t
i
n
g to GP
U
region timer
commit
|
commitdiff
|
tree
2020-03-20
Artem Zhm
u
rov
Small fixes to
t
h
e
Dev
i
ceStream
commit
|
commitdiff
|
tree
2020-03-19
Art
e
m
Zhmuro
v
Stor
e
DeviceI
n
form
a
ti
o
n inside the DeviceCo
n
text class
commit
|
commitdiff
|
tree
2020-03-19
Artem Zhmurov
P
ass DeviceCon
t
ext instead of GPU runtime da
t
a
wh
e
n
.
.
.
commit
|
commitdiff
|
tree
2020-03-18
Ar
t
em Zhmu
r
o
v
Make s
o
me doxygen err
o
r
s
more clear
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmurov
C
ombine initialization
r
outines
for GPUs a
s
s
i
gned to
.
.
.
commit
|
commitdiff
|
tree
2020-03-13
Ar
t
em Zhmurov
Re
m
ove stream from GPU kern
e
l launch con
f
ig
commit
|
commitdiff
|
tree
2020-03-13
Artem Z
h
murov
Use
D
evic
e
Stream
ini
t
(
.
.
.
)
f
u
nc
t
ion to crea
t
e s
t
ream
s
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmurov
Make DeviceS
t
ream i
n
to
a
class
commit
|
commitdiff
|
tree
2020-03-11
Artem Zhmur
o
v
Fix
t
he post-su
b
mit failures
commit
|
commitdiff
|
tree
2020-03-11
Artem Zh
m
urov
Take over manageme
n
t of OpenCL context from PME and
.
.
.
commit
|
commitdiff
|
tree
2020-03-10
Art
e
m Zhmurov
U
s
e
i
nit(
.
.
)
fun
c
tio
n
to build De
v
iceContex
t
commit
|
commitdiff
|
tree
2020-03-09
Artem Zhmurov
Make Devic
e
Context into a
proper cl
a
ss
commit
|
commitdiff
|
tree
2020-03-05
Arte
m
Zh
m
ur
o
v
Fin
a
l
i
ze renamin
g
of bEner
V
ir
t
o computeEnergyAndVirial
commit
|
commitdiff
|
tree
2020-03-04
A
r
tem Zhmu
r
ov
Do not count PM
E
only
rank whe
n
ini
t
ializin
g
N
BNXM
commit
|
commitdiff
|
tree
2020-03-03
Artem Zhmurov
Move the PmePPCom
m
Gpu ini
t
iali
z
ation from
f
orc
e
rec
.
.
.
commit
|
commitdiff
|
tree
2020-03-02
Artem Zhmurov
Update t
h
e message on whether update
and constraints
.
.
.
commit
|
commitdiff
|
tree
2020-02-25
A
r
tem
Zhmurov
F
i
x t
h
e RVec to float3 conversion te
s
t
commit
|
commitdiff
|
tree
2020-02-22
Artem Zhmurov
A
d
d missing header and disabl
e
fail
i
n
g tes
t
commit
|
commitdiff
|
tree
2020-02-21
Artem Zhmu
r
ov
R
e
factor and en
a
ble R
V
ec to float conve
r
sion test
commit
|
commitdiff
|
tree
2020-02-20
A
r
t
em Z
h
murov
Do
n
ot call PME GPU builder in CPU
c
ode paths
commit
|
commitdiff
|
tree
2020-02-20
Artem Zhmurov
Use GRO
M
ACS
wrappe
r
s for
E
XPEC
T
_
T
HROW/
N
O_THROW in PME
.
.
.
commit
|
commitdiff
|
tree
2020-02-20
A
rtem Zhmuro
v
Use CUDA float3 vector type in
s
tead of fvec in GP
U
.
.
.
commit
|
commitdiff
|
tree
2020-02-11
Artem Zhmurov
C
lean up
t
r
ivial fu
n
c
t
ion a
n
d
d
u
plicating macroses
.
.
.
commit
|
commitdiff
|
tree
2020-02-11
Artem Zhmurov
Fix the nightly failure
commit
|
commitdiff
|
tree
2020-02-08
Artem Zhmurov
T
e
m
p
orary disable RVec->float3
c
onvers
i
on test to fix
.
.
.
commit
|
commitdiff
|
tree
2020-02-06
Artem Zh
m
urov
Us
e
R
Vec instead of float for
x
, v an
d
f device buffers
commit
|
commitdiff
|
tree
2020-02-06
Ar
t
em Zh
m
u
rov
Move Devic
e
Info
i
n
t
o GPU t
r
aits
commit
|
commitdiff
|
tree
2020-02-05
A
rtem Zhmurov
Make O
p
enCL DeviceVendor
into enum class and move to
.
.
.
commit
|
commitdiff
|
tree
2020-02-05
Art
e
m Zhmurov
M
ove non-bonded initialization o
u
t
of
t
he force
r
ec
commit
|
commitdiff
|
tree
2020-02-05
Art
e
m Zhmur
o
v
Fix
ty
p
o in and remo
v
e
a coup
l
e of dupli
c
ates f
r
o
m
.
.
.
commit
|
commitdiff
|
tree
2020-02-03
Artem
Z
hmurov
Enabl
e
GPU
u
pdate for su
p
ported
c
a
ses of FEP
commit
|
commitdiff
|
tree
2020-02-01
Artem
Zhmurov
Couple cool quot
e
s
commit
|
commitdiff
|
tree
2020-02-01
Artem Z
h
murov
Mer
g
e
"Merge
b
r
anc
h
o
rigin/
r
elease-2020 into master"
commit
|
commitdiff
|
tree
2020-01-30
Ar
t
em Z
h
m
u
r
ov
Cleani
n
g b
o
olea
n
s in
N
B
NXM in OpenC
L
bu
i
ld
commit
|
commitdiff
|
tree
2020-01-29
A
r
tem Zhmurov
Reorganize GPU stuf
f
initiali
z
a
t
ion in PME-o
n
ly
ranks
commit
|
commitdiff
|
tree
2020-01-29
Ar
t
em
Z
hmurov
Split and move
t
h
e
checkDe
v
ic
e
Buf
f
er(
.
.
.
) function
.
.
.
commit
|
commitdiff
|
tree
2020-01-29
Artem Zhm
u
rov
R
e
move the rest of the device coordinate
s
management
.
.
.
commit
|
commitdiff
|
tree
2020-01-29
Art
e
m
Z
hmurov
Rename Up
d
ateC
o
n
straintsCuda to Upd
a
teConstraint
s
G
pu
commit
|
commitdiff
|
tree
2020-01-23
Art
e
m Zhmurov
Fix a couple of commas in cool quotes
commit
|
commitdiff
|
tree
2020-01-20
Artem Zhm
u
rov
R
ename Settle
C
uda to SettleGpu
commit
|
commitdiff
|
tree
2020-01-20
A
rtem Zhmurov
R
e
name Li
n
csCuda in
t
o LincsGpu
commit
|
commitdiff
|
tree
2020-01-20
Artem Zhmurov
Rename LeapFrogCud
a
to LeapFrogGpu
commit
|
commitdiff
|
tree
2020-01-13
Ar
t
em Zh
m
uro
v
R
e
p
or
t
if upd
a
te is running
on the
G
P
U
or on the
C
PU
commit
|
commitdiff
|
tree
2020-01-09
Artem
Zhmurov
C
h
ange
signature
of
the setPbc(
.
.
.
)
m
ethod in update
.
.
.
commit
|
commitdiff
|
tree
2020-01-09
Artem Zhmurov
M
a
k
e
PB
C
typ
e
enumeration i
n
to PbcType enu
m
c
l
a
ss
commit
|
commitdiff
|
tree
2019-12-31
Artem
Z
hmur
o
v
Info
r
m u
s
er
why forcing GPU update is
n
ot possible
commit
|
commitdiff
|
tree
next