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Use common device context header for OpenCL
2020-09-15
Ar
t
em Zhmu
r
ov
Use
common device cont
e
xt header for
OpenCL
commit
|
commitdiff
|
tree
2020-09-15
Artem Zhmuro
v
Fix
V
Sit
e
out
o
f
range error message
commit
|
commitdiff
|
tree
2020-09-14
Artem
Zhmurov
U
s
e common
d
e
vice
c
onte
x
t
h
ead
e
r for OpenCL
commit
|
commitdiff
|
tree
2020-09-11
Arte
m
Zhmurov
De
f
in
e
stubs for GPU data struc
t
ures in SYCL to make
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
A
r
t
e
m Zhmurov
Use common device c
o
n
t
ext header for OpenCL
commit
|
commitdiff
|
tree
2020-09-10
A
r
t
em Zhmurov
Use device
i
nformation obj
e
ct inst
e
ad of id w
h
en pe
r
fo
r
ming
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
Art
e
m
Z
hmurov
Unify
m
ore func
t
ions in CUDA and Open
C
L impl
e
men
t
atio
n
s
.
.
.
commit
|
commitdiff
|
tree
2020-09-09
A
rtem Zh
m
u
rov
Restore GMX_FORCE_UPDATE_DEFA
U
L
T
_
G
PU environment varibl
e
.
.
.
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmuro
v
R
emo
v
e in-bo
d
y
comment
f
rom init_forcere
c
(
.
.
.
)
func
t
ion
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmu
r
ov
Fix cl
a
ng-f
o
rmat
commit
|
commitdiff
|
tree
2020-09-07
Arte
m
Z
hmurov
Access the d
e
vice st
a
tu
s
d
ir
e
ctly, remove the
ge
t
t
er
commit
|
commitdiff
|
tree
2020-08-24
Artem Zhmur
o
v
Move GPU devices manag
e
m
ent in
t
o hard
w
are s
u
bfo
l
der
commit
|
commitdiff
|
tree
2020-08-14
Artem Zhmurov
F
ix
D
eviceStrea
m
M
a
nager
tests
commit
|
commitdiff
|
tree
2020-07-29
Artem Zhm
u
rov
Re
v
er
t
c++-17 features that are not supported by CUDA
.
.
.
commit
|
commitdiff
|
tree
2020-07-29
Artem
Z
h
murov
Revert c++-17 featur
e
s that are not supp
o
r
t
ed by CUDA
.
.
.
commit
|
commitdiff
|
tree
2020-07-27
Artem Zhm
u
rov
Fi
x
c
l
a
ng
-
tidy warning
commit
|
commitdiff
|
tree
2020-07-15
A
r
tem
Z
h
m
u
ro
v
Fix
t
he
suspiciou
s
string literal error in
G
PU
s
tatus
.
.
.
commit
|
commitdiff
|
tree
2020-07-07
Artem Zhmurov
Make cl_nbparam into a
struct
commit
|
commitdiff
|
tree
2020-06-26
Ar
t
em Zhmur
o
v
Make holder for simulation con
f
iguration
commit
|
commitdiff
|
tree
2020-06-25
A
r
tem Zh
m
ur
o
v
Make cl_nbparam i
n
to
a
s
t
ruct
commit
|
commitdiff
|
tree
2020-06-24
Artem Zhmu
r
ov
F
ix minor n
i
t-picks
commit
|
commitdiff
|
tree
2020-06-22
Arte
m
Zhmurov
R
emove DeviceSt
r
ea
m
include
from GPU traits
commit
|
commitdiff
|
tree
2020-06-16
A
r
te
m
Zhmurov
Ad
d
m
i
s
s
i
ng
e
nd-of-line in the GPU update
a
ssignmen
t
.
.
.
commit
|
commitdiff
|
tree
2020-06-12
Artem
Z
hmurov
Replace com
p
ile_
c
pp_as_c
u
da(
.
.
.
) with
CUDA runtime
.
.
.
commit
|
commitdiff
|
tree
2020-06-09
Artem Zhmurov
Make
S
D stuff priv
a
te for update
.
c
p
p
commit
|
commitdiff
|
tree
2020-06-09
Artem Zhmurov
Ma
k
e SD stuff priv
a
te f
o
r up
d
ate
.
cpp
commit
|
commitdiff
|
tree
2020-06-08
Art
e
m Zhmu
r
o
v
Move
c
ons
t
raint
s
relate
d
l
ogic to constraints
file
commit
|
commitdiff
|
tree
2020-06-08
Arte
m
Zhmuro
v
Unify VdW and Electrostatic kernel enumerations in
.
.
.
commit
|
commitdiff
|
tree
2020-06-05
Artem Zhmur
o
v
Move calcul
a
tion of kine
t
ic e
n
ergy to md_su
p
p
o
rt
commit
|
commitdiff
|
tree
2020-06-05
Artem Zhmurov
M
a
ke a er
r
or mess
a
ge less confusing
commit
|
commitdiff
|
tree
2020-06-04
A
rt
e
m Zhmurov
Make a error message les
s
co
n
fu
s
ing
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhm
u
rov
Updat
e
the r
e
lease notes
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmurov
C
ool quote
commit
|
commitdiff
|
tree
2020-05-29
A
rtem Zhmurov
Unify initialization of
G
P
U
a
n
d CPU SET
T
LE
commit
|
commitdiff
|
tree
2020-05-26
A
r
t
em
Zhmurov
Rem
o
ve the de
p
endence
on Co
n
st
r
ain
t
s
object on
t
_
m
da
t
o
m
s
commit
|
commitdiff
|
tree
2020-05-25
Artem Zhmurov
Remove dependence o
n
t
_
mdatoms fr
o
m GPU version of
.
.
.
commit
|
commitdiff
|
tree
2020-05-23
A
r
tem Z
h
murov
Rem
o
ve dependenc
e
on
t_m
d
atoms from pul
l
c
od
e
commit
|
commitdiff
|
tree
2020-05-22
Artem Zhm
u
rov
R
emove d
e
pendence
o
f
constraints on t_
m
datoms
commit
|
commitdiff
|
tree
2020-05-22
Artem
Z
hmurov
Remo
v
e depen
d
ence of constraints o
n
t_m
d
atom
s
commit
|
commitdiff
|
tree
2020-05-15
Arte
m
Zhmurov
Unify CUDA
and OpenCL
l
ookup-tab
l
e creation
commit
|
commitdiff
|
tree
2020-05-11
Artem Zhmurov
Remove the du
p
licat
i
ng note
from the re
l
ease
n
o
tes
commit
|
commitdiff
|
tree
2020-05-11
Artem
Z
hmurov
Un
i
fy
CUDA and OpenCL lookup-table creation
commit
|
commitdiff
|
tree
2020-05-05
Artem Zhm
u
rov
Unify
CUDA and
O
penCL look
u
p-table
c
reation
commit
|
commitdiff
|
tree
2020-05-04
Art
e
m
Zhmurov
Un
i
fy CUDA and OpenCL lookup-tabl
e
creation
commit
|
commitdiff
|
tree
2020-04-29
Artem Z
h
muro
v
Fi
x
the
nu
m
ber
of steps che
c
k when checkpoint is
l
o
a
ded
commit
|
commitdiff
|
tree
2020-04-27
A
rtem Zhm
u
rov
F
ix
th
e
removal of
C
O
M
velocity i
n
case of G
P
U
u
pdate
commit
|
commitdiff
|
tree
2020-04-27
A
rte
m
Z
hmuro
v
Move
PBC setup ou
t
of the launchK
e
rnel(
.
.
.
) in GPU
.
.
.
commit
|
commitdiff
|
tree
2020-04-20
Artem Zhmurov
Fix the nu
m
ber of steps c
h
eck wh
e
n
checkpoin
t
is loaded
commit
|
commitdiff
|
tree
2020-04-16
Artem Zh
m
urov
New cool quote
commit
|
commitdiff
|
tree
2020-04-16
Artem
Z
hmurov
Unify CUDA and O
p
enCL lookup
-
table
crea
t
ion
commit
|
commitdiff
|
tree
2020-03-25
A
r
tem Zhmur
o
v
Make use of the DeviceStreamManager
commit
|
commitdiff
|
tree
2020-03-23
Artem
Zh
m
uro
v
Introduce DeviceStreamMana
g
er
commit
|
commitdiff
|
tree
2020-03-20
Art
e
m Zhmu
r
ov
Add Open
C
L
e
rr
o
r reporting to
G
PU region timer
commit
|
commitdiff
|
tree
2020-03-20
Artem Zh
m
urov
Small fixes
to the DeviceStrea
m
commit
|
commitdiff
|
tree
2020-03-19
Artem Zhmu
r
ov
S
t
ore DeviceInforma
t
ion inside
th
e
DeviceContext
class
commit
|
commitdiff
|
tree
2020-03-19
Artem Z
h
murov
Pass DeviceConte
x
t in
s
tead of GP
U
runtime
data when
.
.
.
commit
|
commitdiff
|
tree
2020-03-18
Artem Zh
m
urov
Ma
k
e s
o
me doxyge
n
errors more clear
commit
|
commitdiff
|
tree
2020-03-13
Art
e
m Zhmurov
Combine init
i
ali
z
at
i
on routines for GPUs
assigned
t
o
.
.
.
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmurov
Remov
e
stream
from GPU ker
n
el l
a
unch config
commit
|
commitdiff
|
tree
2020-03-13
A
r
tem Zhmurov
Use DeviceStream
init(
.
.
.
) f
u
nction to create streams
commit
|
commitdiff
|
tree
2020-03-13
Arte
m
Zhmurov
M
a
ke DeviceSt
r
eam
into a clas
s
commit
|
commitdiff
|
tree
2020-03-11
Artem Zhmurov
Fix the pos
t
-su
b
mit
f
ailures
commit
|
commitdiff
|
tree
2020-03-11
A
rtem Zhmurov
Take over management
o
f
Op
e
nCL context from PME and
.
.
.
commit
|
commitdiff
|
tree
2020-03-10
Art
e
m Zhmurov
Use init(
.
.
) function to bu
i
ld
Devi
c
eContext
commit
|
commitdiff
|
tree
2020-03-09
Artem Zhm
u
r
o
v
Make Device
C
ontext i
n
to a
p
roper c
l
ass
commit
|
commitdiff
|
tree
2020-03-05
Artem Zhmur
o
v
Finaliz
e
rena
m
ing of b
E
nerVir to computeEn
e
rg
y
AndVi
r
ia
l
commit
|
commitdiff
|
tree
2020-03-04
Artem Zh
m
ur
o
v
Do not count PM
E
on
l
y rank when initiali
z
ing NBNXM
commit
|
commitdiff
|
tree
2020-03-03
Artem Zhmurov
Move
the Pm
e
PP
C
ommGpu
in
i
tialization f
r
om
forcerec
.
.
.
commit
|
commitdiff
|
tree
2020-03-02
Artem Z
h
muro
v
Update
t
he message on whether up
d
ate a
n
d constrain
t
s
.
.
.
commit
|
commitdiff
|
tree
2020-02-25
Artem
Z
hmu
r
ov
Fix the RVec
t
o float
3
conversion test
commit
|
commitdiff
|
tree
2020-02-22
Artem Zhmurov
Add missing header and disable failing test
commit
|
commitdiff
|
tree
2020-02-21
Artem Z
h
murov
Refac
t
o
r and enable RVe
c
to float conversion test
commit
|
commitdiff
|
tree
2020-02-20
A
rtem Zhm
u
rov
Do no
t
call
P
M
E
G
PU
b
uilder in C
P
U code p
a
t
h
s
commit
|
commitdiff
|
tree
2020-02-20
Ar
t
em Zhmurov
U
se GROMA
C
S w
r
a
p
pers for
E
XPECT_
T
H
R
O
W
/
NO_THROW
i
n P
M
E
.
.
.
commit
|
commitdiff
|
tree
2020-02-20
Artem
Zhmurov
Use CUDA float3 vector type instead
o
f fv
e
c in GPU
.
.
.
commit
|
commitdiff
|
tree
2020-02-11
A
r
tem Z
h
murov
Clean up trivial function and duplicat
i
ng m
a
cros
e
s
.
.
.
commit
|
commitdiff
|
tree
2020-02-11
Arte
m
Zhmurov
Fix the nigh
t
ly
fai
l
ure
commit
|
commitdiff
|
tree
2020-02-08
A
r
tem Zhm
u
r
o
v
Temporary di
s
able RVec->float3 convers
i
on test
t
o fi
x
.
.
.
commit
|
commitdiff
|
tree
2020-02-06
Artem Zhmurov
U
s
e
RVec
in
s
tead o
f
float for x, v
and f
device buffers
commit
|
commitdiff
|
tree
2020-02-06
Ar
t
em Zhmur
o
v
Move
D
eviceInf
o
i
n
to GPU tra
i
ts
commit
|
commitdiff
|
tree
2020-02-05
Artem Zhmuro
v
M
ake
OpenCL De
v
iceVendor
i
nto en
u
m class and mo
v
e t
o
.
.
.
commit
|
commitdiff
|
tree
2020-02-05
Art
e
m Zhmurov
Move non
-
b
onded initialization ou
t
of the
forcerec
commit
|
commitdiff
|
tree
2020-02-05
A
rtem Zhmurov
Fix t
y
p
o in and
remove a
couple
o
f dupl
i
cates from
.
.
.
commit
|
commitdiff
|
tree
2020-02-03
Artem Z
h
m
uro
v
Enable GPU update for supported
c
ase
s
o
f
F
EP
commit
|
commitdiff
|
tree
2020-02-01
Artem Zhmurov
Couple
c
ool quotes
commit
|
commitdiff
|
tree
2020-02-01
Artem Zhmurov
Mer
g
e "M
e
rge branch
or
i
g
in/rel
e
a
se-202
0
into master"
commit
|
commitdiff
|
tree
2020-01-30
Arte
m
Zhmur
o
v
Cle
a
ning booleans i
n
NBNXM in OpenCL build
commit
|
commitdiff
|
tree
2020-01-29
Artem Zhmu
r
ov
Reorgan
i
z
e
G
PU stu
f
f
i
n
i
tiali
z
a
t
ion in
PME
-
only
ranks
commit
|
commitdiff
|
tree
2020-01-29
Artem Zhm
u
r
ov
Split and move the checkDevi
c
eBuffer(
.
.
.
) fu
n
ction
.
.
.
commit
|
commitdiff
|
tree
2020-01-29
Artem Zhmurov
Remov
e
the rest
of the device co
o
rdinates mana
g
ement
.
.
.
commit
|
commitdiff
|
tree
2020-01-29
A
rtem
Z
hmurov
Rename UpdateConstr
a
intsCuda t
o
U
p
dateCon
s
traintsGpu
commit
|
commitdiff
|
tree
2020-01-23
Artem Z
h
murov
Fix a
c
ouple of com
m
a
s
in cool quotes
commit
|
commitdiff
|
tree
2020-01-20
Artem
Zhmuro
v
R
ename S
e
ttleCu
d
a to
S
ettleGpu
commit
|
commitdiff
|
tree
2020-01-20
Artem Zhmurov
Rena
m
e LincsCuda int
o
LincsGpu
commit
|
commitdiff
|
tree
2020-01-20
Artem Zhmuro
v
R
e
name
LeapFrogCuda
to
LeapFrogGpu
commit
|
commitdiff
|
tree
2020-01-13
Arte
m
Zhmu
r
ov
Rep
o
rt
if
u
pd
a
te
is runn
i
ng on the G
P
U or on the CPU
commit
|
commitdiff
|
tree
2020-01-09
Art
e
m
Zhmurov
Change si
g
nat
u
r
e of
t
he setPbc(
.
.
.
) met
h
o
d
in upd
a
te
.
.
.
commit
|
commitdiff
|
tree
2020-01-09
A
r
tem Zhmu
r
ov
Make PBC ty
p
e enumer
a
tion into
P
bcType enum cl
a
s
s
commit
|
commitdiff
|
tree
2019-12-31
Ar
t
em Z
h
murov
Info
r
m user w
h
y forcing GPU update is not possi
b
le
commit
|
commitdiff
|
tree
2019-12-31
Arte
m
Zhmur
o
v
Add description of GMX_FORCE_UPDATE_DEFAULT_GPU dev
.
.
.
commit
|
commitdiff
|
tree
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