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Use common device context header for OpenCL
2020-09-10
Artem Zhmurov
Use c
o
m
m
o
n
device cont
e
xt heade
r
for Ope
n
CL
commit
|
commitdiff
|
tree
2020-09-10
A
rtem Zhmuro
v
Use devic
e
information o
b
ject
i
nstead of i
d
when performi
n
g
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
Artem Z
h
murov
Unify more functions in CU
D
A and Open
C
L impl
e
m
e
n
tations
.
.
.
commit
|
commitdiff
|
tree
2020-09-09
Artem
Zhmurov
Restore GMX_FORC
E
_UPDATE_
D
EFAULT_G
P
U
environment varible
.
.
.
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmurov
Remove in-body comment from
init_fo
r
cere
c
(
.
.
.
)
fu
n
ction
commit
|
commitdiff
|
tree
2020-09-07
Ar
t
em Zhm
u
rov
Fix clang-fo
r
mat
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmurov
Access the device st
a
t
u
s
directly, r
e
move
the
g
etter
commit
|
commitdiff
|
tree
2020-08-24
Artem Zhmur
o
v
Mov
e
GPU
d
evice
s
management into hardw
a
re
s
ubfolder
commit
|
commitdiff
|
tree
2020-08-14
Artem Zhmurov
Fix Dev
i
ceStreamManager tests
commit
|
commitdiff
|
tree
2020-07-29
Ar
t
em
Zhmurov
Revert c++-
1
7 features t
h
a
t
a
r
e
n
ot supported by CUDA
.
.
.
commit
|
commitdiff
|
tree
2020-07-29
Ar
t
em Zhmurov
Revert c
+
+-17 features
that are not su
p
por
t
ed b
y
C
U
DA
.
.
.
commit
|
commitdiff
|
tree
2020-07-27
Artem Zhmurov
F
ix clang-tidy warnin
g
commit
|
commitdiff
|
tree
2020-07-15
Arte
m
Z
h
m
ur
o
v
F
i
x
the susp
i
cious
string
l
iteral error in
GPU status
.
.
.
commit
|
commitdiff
|
tree
2020-07-07
Artem Zh
m
urov
Make c
l
_
n
bparam
into
a
s
tru
c
t
commit
|
commitdiff
|
tree
2020-06-26
Artem Z
h
m
u
r
o
v
Ma
k
e holder for simulation configurati
o
n
commit
|
commitdiff
|
tree
2020-06-25
Arte
m
Zhmurov
Mak
e
cl_nb
p
aram into a struct
commit
|
commitdiff
|
tree
2020-06-24
A
rtem Zhmurov
Fix minor nit-picks
commit
|
commitdiff
|
tree
2020-06-22
Artem Zhmurov
Remov
e
DeviceStream incl
u
de
fr
o
m
G
P
U tra
i
ts
commit
|
commitdiff
|
tree
2020-06-16
Artem Zhmurov
A
dd missin
g
end-
o
f
-
line
i
n the G
P
U upda
t
e
assig
n
ment
.
.
.
commit
|
commitdiff
|
tree
2020-06-12
A
r
tem Zhm
u
rov
R
eplace compile
_
cpp_
a
s
_cu
d
a(
.
.
.
) with CUDA runtime
.
.
.
commit
|
commitdiff
|
tree
2020-06-09
A
r
t
e
m Zhm
u
rov
M
ake SD stuff private for u
p
date
.
c
pp
commit
|
commitdiff
|
tree
2020-06-09
Ar
t
e
m Zhmurov
M
a
ke SD stuff private for u
p
d
ate
.
cpp
commit
|
commitdiff
|
tree
2020-06-08
A
rtem Zhmu
r
ov
Move
c
o
nstraint
s
re
l
ate
d
log
i
c
to cons
t
raints file
commit
|
commitdiff
|
tree
2020-06-08
A
r
tem Zhmur
o
v
Unify
V
dW and Ele
c
trostati
c
kern
e
l
enumerations i
n
.
.
.
commit
|
commitdiff
|
tree
2020-06-05
Artem Zhmu
r
ov
Mov
e
ca
l
cul
a
t
ion of kinetic energy to md
_
support
commit
|
commitdiff
|
tree
2020-06-05
Artem Zhmu
r
ov
M
ake
a
error messa
g
e less conf
u
s
in
g
commit
|
commitdiff
|
tree
2020-06-04
Ar
t
e
m Zhmu
r
ov
Make a error message
l
e
ss
confusing
commit
|
commitdiff
|
tree
2020-06-04
A
r
tem Zhmurov
Upd
a
te
t
he release notes
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmu
r
ov
Cool quote
commit
|
commitdiff
|
tree
2020-05-29
Artem Zhmurov
U
nify
i
nitialization of GPU and CPU S
E
TTLE
commit
|
commitdiff
|
tree
2020-05-26
Artem Zhmurov
Remove the dependence on Constraints object on
t
_mdatoms
commit
|
commitdiff
|
tree
2020-05-25
Ar
t
em Zhmurov
Remove
dependen
c
e on t_mdatoms from GPU version of
.
.
.
commit
|
commitdiff
|
tree
2020-05-23
A
r
t
em
Z
hmurov
Remov
e
dependenc
e
on t_mdatoms
f
rom pul
l
code
commit
|
commitdiff
|
tree
2020-05-22
Artem
Zhmur
o
v
R
e
mo
v
e dependence of constraints on t_md
a
toms
commit
|
commitdiff
|
tree
2020-05-22
A
rtem Zh
m
ur
o
v
Remove depe
n
dence of constraints on
t
_
mdat
o
ms
commit
|
commitdiff
|
tree
2020-05-15
A
r
tem Zhmur
o
v
U
n
i
f
y
CUDA
and OpenC
L
look
u
p
-
table
crea
t
ion
commit
|
commitdiff
|
tree
2020-05-11
A
rtem Zhmurov
Rem
o
v
e the duplicating no
t
e from the releas
e
notes
commit
|
commitdiff
|
tree
2020-05-11
Art
e
m Zhmurov
Unify CUDA and
O
penCL l
o
okup-table creation
commit
|
commitdiff
|
tree
2020-05-05
A
r
tem Zhmurov
Un
i
f
y
CUDA and OpenC
L
lookup-t
a
ble creation
commit
|
commitdiff
|
tree
2020-05-04
A
rtem Zhmurov
Unify CUDA and Ope
n
CL
looku
p
-table creation
commit
|
commitdiff
|
tree
2020-04-29
Artem Zhmurov
Fix the numbe
r
of ste
p
s check when c
h
eckp
o
int is
loa
d
e
d
commit
|
commitdiff
|
tree
2020-04-27
Artem Z
h
murov
Fix th
e
remov
a
l of COM
v
el
o
city in case of GP
U
u
p
da
t
e
commit
|
commitdiff
|
tree
2020-04-27
A
rte
m
Zhm
u
ro
v
Move PBC setu
p
out
o
f
t
he launc
h
Kernel(
.
.
.
) in
GPU
.
.
.
commit
|
commitdiff
|
tree
2020-04-20
Ar
t
em
Z
hm
u
rov
F
i
x th
e
number of step
s
c
h
eck when
checkpoint is lo
a
ded
commit
|
commitdiff
|
tree
2020-04-16
Artem Zhmurov
New cool quote
commit
|
commitdiff
|
tree
2020-04-16
A
rtem Zhmurov
Un
i
fy
C
UDA and O
p
en
C
L look
u
p
-
ta
b
le c
r
eation
commit
|
commitdiff
|
tree
2020-03-25
Artem
Zhmurov
Make
u
se of
t
he De
v
i
c
eStrea
m
Manage
r
commit
|
commitdiff
|
tree
2020-03-23
A
r
tem Zhmuro
v
Introduce
D
evic
e
StreamManager
commit
|
commitdiff
|
tree
2020-03-20
Artem Z
h
m
u
rov
Add OpenCL
er
r
or reporting to GPU regio
n
timer
commit
|
commitdiff
|
tree
2020-03-20
A
r
tem Zhmu
r
ov
S
m
a
ll fixes to the Device
S
t
ream
commit
|
commitdiff
|
tree
2020-03-19
Arte
m
Zhmurov
Store
D
eviceInformation in
s
ide the
DeviceContext class
commit
|
commitdiff
|
tree
2020-03-19
Ar
t
em Z
h
mur
o
v
Pass DeviceContext instead of GPU
r
unt
i
m
e
data when
.
.
.
commit
|
commitdiff
|
tree
2020-03-18
A
rtem Zhmurov
Make
some
doxygen errors more
c
l
ear
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmurov
Co
m
bine initializa
t
ion routines fo
r
GPUs assigne
d
t
o
.
.
.
commit
|
commitdiff
|
tree
2020-03-13
Art
e
m Zhmurov
Remov
e
st
r
eam
f
rom
GPU kernel
la
u
nch config
commit
|
commitdiff
|
tree
2020-03-13
A
rtem Zhmurov
Use
DeviceStrea
m
init(
.
.
.
) functi
o
n to create st
r
e
a
ms
commit
|
commitdiff
|
tree
2020-03-13
Artem Z
h
murov
Make D
e
vice
S
tr
e
am into a class
commit
|
commitdiff
|
tree
2020-03-11
Artem
Zhmurov
Fix the po
s
t-su
b
mit f
a
ilures
commit
|
commitdiff
|
tree
2020-03-11
Artem Zhmurov
Tak
e
ove
r
m
anag
e
ment of OpenCL context f
r
o
m
P
M
E an
d
.
.
.
commit
|
commitdiff
|
tree
2020-03-10
Artem Zh
m
urov
Use init(
.
.
) func
t
ion
to buil
d
Devic
e
Context
commit
|
commitdiff
|
tree
2020-03-09
Artem Zhmurov
Make Dev
i
ceContext i
n
to a proper cla
s
s
commit
|
commitdiff
|
tree
2020-03-05
Artem Z
h
murov
Fi
n
aliz
e
ren
a
ming of bEner
V
ir to comput
e
Energy
A
ndVirial
commit
|
commitdiff
|
tree
2020-03-04
A
rtem Zhmurov
Do not
c
ount PME
only rank when initial
i
zing N
B
NX
M
commit
|
commitdiff
|
tree
2020-03-03
Artem Zh
m
u
rov
Mov
e
the PmeP
P
Comm
G
pu initial
i
zation f
r
om f
o
r
c
ere
c
.
.
.
commit
|
commitdiff
|
tree
2020-03-02
Artem Zhmu
r
ov
Update th
e
message on whether update an
d
constraints
.
.
.
commit
|
commitdiff
|
tree
2020-02-25
Ar
t
em Z
h
murov
Fix the RVec to float
3
c
o
nversi
o
n test
commit
|
commitdiff
|
tree
2020-02-22
A
r
tem Zhmurov
Add
m
issi
n
g h
e
a
d
er and disable
f
ailing test
commit
|
commitdiff
|
tree
2020-02-21
Artem Zhmurov
Refactor
a
n
d
enable RVec
t
o fl
o
at co
n
ver
s
i
o
n test
commit
|
commitdiff
|
tree
2020-02-20
A
r
tem Zhmurov
Do not call PME
G
P
U
b
uilder in CPU code paths
commit
|
commitdiff
|
tree
2020-02-20
Arte
m
Zhmuro
v
Use GROMAC
S
wrap
p
e
r
s
for EXPECT
_
THROW/NO_THROW
in PME
.
.
.
commit
|
commitdiff
|
tree
2020-02-20
Artem Zhmuro
v
Use CUDA float3
v
ec
t
or type ins
t
ea
d
of fvec in GPU
.
.
.
commit
|
commitdiff
|
tree
2020-02-11
A
r
t
e
m Zhm
u
rov
Clean up trivia
l
function and duplicating macrose
s
.
.
.
commit
|
commitdiff
|
tree
2020-02-11
Artem Zhmu
r
ov
Fix the nightly fail
u
re
commit
|
commitdiff
|
tree
2020-02-08
Ar
t
em Zhmurov
Temporary disab
l
e
R
Vec->f
l
oat3 conversi
o
n t
e
st to
f
ix
.
.
.
commit
|
commitdiff
|
tree
2020-02-06
Artem Zhmuro
v
U
s
e RVec
i
nstead of floa
t
for x,
v
and f device buffer
s
commit
|
commitdiff
|
tree
2020-02-06
A
rtem Z
h
murov
Move
D
evic
e
In
f
o i
n
to GPU traits
commit
|
commitdiff
|
tree
2020-02-05
Artem
Zhmurov
Make
O
p
e
nCL Dev
i
ceVendor i
n
to enum cla
s
s
a
nd move to
.
.
.
commit
|
commitdiff
|
tree
2020-02-05
Artem
Zhmurov
Move non-bonde
d
initializa
t
ion o
u
t o
f
t
he forcerec
commit
|
commitdiff
|
tree
2020-02-05
A
rt
e
m Zhmurov
Fix typo in
and remov
e
a
c
ouple of dupl
i
cates
f
ro
m
.
.
.
commit
|
commitdiff
|
tree
2020-02-03
Artem
Z
hm
u
r
o
v
Enable GPU
upda
t
e for supp
o
rt
e
d
cases
of FEP
commit
|
commitdiff
|
tree
2020-02-01
A
r
t
e
m
Zhmurov
Couple cool quotes
commit
|
commitdiff
|
tree
2020-02-01
Art
e
m Zhmur
o
v
Merge "Merge bra
n
ch
o
rigin/re
l
ease-20
2
0 into master
"
commit
|
commitdiff
|
tree
2020-01-30
Artem Zhmurov
Cleaning bo
o
leans in N
B
NXM
in OpenC
L
build
commit
|
commitdiff
|
tree
2020-01-29
A
r
tem
Z
h
m
urov
Reorganize G
P
U stuff
i
nitializat
i
on in PME-o
n
ly ranks
commit
|
commitdiff
|
tree
2020-01-29
Artem Zh
m
urov
Split
a
nd mov
e
the c
h
eckDeviceBu
f
fer(
.
.
.
)
function
.
.
.
commit
|
commitdiff
|
tree
2020-01-29
Artem Zhmurov
Remove the
rest of the dev
i
ce coordina
t
es management
.
.
.
commit
|
commitdiff
|
tree
2020-01-29
Artem Zhmurov
Ren
a
me U
p
dateConstraintsCuda to Upda
t
eConstraintsGpu
commit
|
commitdiff
|
tree
2020-01-23
Artem Zhmurov
Fi
x
a couple of comma
s
in
cool quo
t
es
commit
|
commitdiff
|
tree
2020-01-20
A
r
tem Zhmurov
Rename Se
t
tleCu
d
a to Sett
l
eGp
u
commit
|
commitdiff
|
tree
2020-01-20
Artem Zh
m
urov
Rename L
i
ncsCuda into LincsGpu
commit
|
commitdiff
|
tree
2020-01-20
Artem Zh
m
urov
Ren
a
me Le
a
pFro
g
Cuda to
LeapFrogGpu
commit
|
commitdiff
|
tree
2020-01-13
Artem Zhm
u
rov
Re
p
ort if update is
runnin
g
on the
G
PU or
o
n the CPU
commit
|
commitdiff
|
tree
2020-01-09
Artem Zhmurov
Change
s
ignature of the set
P
b
c
(
.
.
.
) meth
o
d in upda
t
e
.
.
.
commit
|
commitdiff
|
tree
2020-01-09
Artem Zhmurov
Make PBC ty
p
e enume
r
at
i
on
i
nto PbcType enum cla
s
s
commit
|
commitdiff
|
tree
2019-12-31
Ar
t
em Zhmur
o
v
Inform
user
w
hy forcing GPU update
is no
t
possible
commit
|
commitdiff
|
tree
2019-12-31
Artem Zhmur
o
v
Add description o
f
GMX_FOR
C
E_UPDATE_DEFAULT_GPU dev
.
.
.
commit
|
commitdiff
|
tree
2019-12-31
Artem
Z
hmurov
F
i
x
gpuupdate matrix
commit
|
commitdiff
|
tree
2019-12-28
Artem Zhmurov
Change
t
he behavior of the GPU update U
I
commit
|
commitdiff
|
tree
2019-12-27
Artem Zhmurov
Add a note to the log fil
e
w
hen -up
d
at
e
gpu
was set
.
.
.
commit
|
commitdiff
|
tree
2019-12-27
Artem Zhmurov
Cl
e
an bad auto-format in dec
i
d
egpu
u
s
age doxyge
n
comments
commit
|
commitdiff
|
tree
next