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Update rules for release-2021.
2020-11-24
A
rtem Zhmurov
Im
p
rove han
d
ling o
f
CUD
A
A
PI errors
commit
|
commitdiff
|
tree
2020-11-23
Artem Zhmurov
Ma
k
e correspon
d
ing
device acti
v
e before each TestDevice
.
.
.
commit
|
commitdiff
|
tree
2020-11-23
Artem
Zhmurov
S
eparate VV first an
d
second
s
teps from MD loop
commit
|
commitdiff
|
tree
2020-11-23
Ar
t
e
m Zhmurov
Remo
v
e
coolquote that sounds offensi
v
e without conte
x
t
commit
|
commitdiff
|
tree
2020-11-17
A
rtem Zhmurov
Use lambda
s
to
get
the list of PB
C
names from the map
.
.
.
commit
|
commitdiff
|
tree
2020-11-09
Artem Zhmurov
Remove
s
o
urce fi
l
e that i
s
n
o longer in
u
se
commit
|
commitdiff
|
tree
2020-11-06
Artem Z
h
m
u
rov
Fix doxygen comments f
o
r
mattig in update
.
h
commit
|
commitdiff
|
tree
2020-11-03
A
rtem Zhmurov
Make th
e
message why G
P
U bondeds ar
e
n
ot availab
l
e
.
.
.
commit
|
commitdiff
|
tree
2020-10-27
Artem Zhmurov
Remove u
n
used velocity
s
caling enu
m
value
commit
|
commitdiff
|
tree
2020-10-26
A
rtem
Zhmuro
v
Clea
r
constrain
t
s RMSD v
a
l
u
es upo
n
domains rese
t
commit
|
commitdiff
|
tree
2020-10-22
Artem Zhmur
o
v
Use and p
r
ope
r
ly init
i
alize PR
N
G
when hardware random
.
.
.
commit
|
commitdiff
|
tree
2020-10-22
Ar
t
em Zhmuro
v
Intro
d
u
c
e
inte
r
medi
a
te
va
r
iable
so that c
o
mpiler will
.
.
.
commit
|
commitdiff
|
tree
2020-10-22
Ar
t
em Zhm
u
rov
Fi
x
format
t
ing of t
h
e authors list
commit
|
commitdiff
|
tree
2020-10-12
Artem Zhmu
r
ov
Fix
t
he seeding of PR
N
G when it is used instead of RG
commit
|
commitdiff
|
tree
2020-10-09
Artem Zhmurov
Cool quote
p
icking can freeze whe
n
hardware ra
n
do
m
.
.
.
commit
|
commitdiff
|
tree
2020-10-08
Art
e
m Zhmurov
A
dd Andrey A
l
ekseenko to the list of
authors
commit
|
commitdiff
|
tree
2020-10-06
Artem Zhmurov
Remove unused canComputeOnGpu(
.
.
.
) functio
n
from devic
e
.
.
.
commit
|
commitdiff
|
tree
2020-10-06
Artem Zhmurov
Simplify GPU usage decision function signa
t
ures
commit
|
commitdiff
|
tree
2020-10-06
Artem Z
h
murov
Use new GPU
infrastructure in MDLib tests
commit
|
commitdiff
|
tree
2020-10-01
Artem
Z
hmurov
Add
missing inc
l
ude into the tests comparison helper
commit
|
commitdiff
|
tree
2020-09-30
Artem
Zhmurov
Restore d
e
str
u
ctor for
G
puTest and gmx_hw_info_t
commit
|
commitdiff
|
tree
2020-09-29
Art
e
m Zhmurov
Don't use fah_fsync
commit
|
commitdiff
|
tree
2020-09-29
A
rtem Zhmurov
R
emove
t
wo-s
t
a
ge
i
nitializat
i
on
i
n DeviceStream
commit
|
commitdiff
|
tree
2020-09-28
Arte
m
Zhmurov
a
dd detection of CP
X
5300 w/ 2FM
A
s
commit
|
commitdiff
|
tree
2020-09-21
Artem Zh
m
urov
Do not run Pin
n
edMemoryChecker
T
e
st wh
e
n there are
no
.
.
.
commit
|
commitdiff
|
tree
2020-09-21
Artem
Z
hmurov
Move the
message to the deprEcation-pol
i
cy file
commit
|
commitdiff
|
tree
2020-09-20
Art
e
m Zhmurov
Set
a
ctiv
e
device wh
e
n the devic
e
s
t
ream m
a
nager is
.
.
.
commit
|
commitdiff
|
tree
2020-09-20
Art
e
m Zhm
u
rov
A
ll
o
w using old environment variables, b
u
t print deprecation
.
.
.
commit
|
commitdiff
|
tree
2020-09-17
Ar
t
em Zhmu
r
o
v
Remove
the CP
U
hardware context from the g
e
neral l
i
st
.
.
.
commit
|
commitdiff
|
tree
2020-09-15
Artem Zhm
u
r
o
v
Use common devic
e
context header
for O
p
enCL
commit
|
commitdiff
|
tree
2020-09-15
Artem Zh
m
uro
v
F
ix VSite out of range
e
rr
o
r me
s
sa
g
e
commit
|
commitdiff
|
tree
2020-09-14
Artem
Z
hmurov
Use common d
e
vice conte
x
t
header for OpenCL
commit
|
commitdiff
|
tree
2020-09-11
Artem Zhmur
o
v
Define s
t
ubs
fo
r
GPU
data structures
in SYCL to make
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
A
rtem
Z
hmu
r
o
v
Use com
m
o
n devic
e
co
n
text header for OpenCL
commit
|
commitdiff
|
tree
2020-09-10
Artem
Zhmurov
Us
e
device
i
nf
o
rmation
ob
j
ect instead o
f
id when performing
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
Ar
t
em
Z
hmurov
U
n
i
fy more f
u
nctions in CUD
A
a
nd OpenCL implementatio
n
s
.
.
.
commit
|
commitdiff
|
tree
2020-09-09
Artem Zhm
u
r
o
v
Restor
e
G
M
X_FORCE_UPD
A
T
E_DEFAULT_GPU environme
n
t varibl
e
.
.
.
commit
|
commitdiff
|
tree
2020-09-07
Arte
m
Zhmurov
Rem
o
ve
i
n-body comment from init_forcer
e
c
(
.
.
.
) fu
n
c
tion
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmurov
Fix clang-format
commit
|
commitdiff
|
tree
2020-09-07
Artem
Z
hmurov
A
cc
e
ss the de
v
ice status directly, r
e
move the getter
commit
|
commitdiff
|
tree
2020-08-24
Art
e
m
Z
h
murov
Move
GPU de
v
ices manageme
n
t
in
t
o hardware subfo
l
der
commit
|
commitdiff
|
tree
2020-08-14
Arte
m
Z
h
murov
Fix DeviceSt
r
eam
M
anager te
s
ts
commit
|
commitdiff
|
tree
2020-07-29
Artem Zhm
u
rov
Revert c++-17 featu
r
es that are not supported
by CUDA
.
.
.
commit
|
commitdiff
|
tree
2020-07-29
Art
e
m Z
h
mur
o
v
Revert c++-17 fe
a
tures t
h
at are not support
e
d
by CUDA
.
.
.
commit
|
commitdiff
|
tree
2020-07-27
Artem Zhmurov
Fix
clang-ti
d
y warning
commit
|
commitdiff
|
tree
2020-07-15
Artem Zhmurov
Fix
t
he suspici
o
u
s stri
n
g
lit
e
r
al e
r
ror
in
G
PU status
.
.
.
commit
|
commitdiff
|
tree
2020-07-07
Artem Zhmurov
Mak
e
cl_nbparam into a
s
truct
commit
|
commitdiff
|
tree
2020-06-26
Artem Zhmurov
Make ho
l
der for simulation
c
onfiguratio
n
commit
|
commitdiff
|
tree
2020-06-25
A
r
t
em Zhmur
o
v
Mak
e
cl_nb
p
a
ra
m
int
o
a
s
truct
commit
|
commitdiff
|
tree
2020-06-24
Artem Zhmu
r
ov
Fix
m
inor nit-p
i
cks
commit
|
commitdiff
|
tree
2020-06-22
Artem Zhmurov
Remove
DeviceStream include fr
o
m GPU tr
a
its
commit
|
commitdiff
|
tree
2020-06-16
A
rt
e
m Zhmurov
Add m
i
ss
i
ng e
n
d-of-l
i
ne in the GPU upd
a
te assignment
.
.
.
commit
|
commitdiff
|
tree
2020-06-12
Artem Zhmurov
Replace com
p
ile_c
p
p_as_cuda(
.
.
.
) with CUDA r
u
ntime
.
.
.
commit
|
commitdiff
|
tree
2020-06-09
Artem
Z
h
murov
M
a
k
e SD stuff
p
rivate for
u
pdate
.
cpp
commit
|
commitdiff
|
tree
2020-06-09
Artem
Z
hmur
o
v
Make SD stuff
p
rivate
f
o
r
u
pdat
e
.
cpp
commit
|
commitdiff
|
tree
2020-06-08
Artem Zhmurov
Mo
v
e cons
t
rai
n
ts re
l
ated logic to constraints file
commit
|
commitdiff
|
tree
2020-06-08
A
rtem Zhmu
r
ov
Unif
y
VdW and Electr
o
static ke
r
nel enumerati
o
ns in
.
.
.
commit
|
commitdiff
|
tree
2020-06-05
Artem Zhmur
o
v
Move calc
u
lation of k
i
netic
e
ne
r
gy to md_support
commit
|
commitdiff
|
tree
2020-06-05
A
rtem
Z
h
murov
Ma
k
e a er
r
or message less c
o
nfus
i
ng
commit
|
commitdiff
|
tree
2020-06-04
Art
e
m Zh
m
urov
Make
a
error
m
es
s
a
ge les
s
confusing
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmurov
Update the release notes
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmurov
C
ool quote
commit
|
commitdiff
|
tree
2020-05-29
Artem Zhmurov
Un
i
fy initialization of
GP
U
and CPU SETTLE
commit
|
commitdiff
|
tree
2020-05-26
Artem Zhmuro
v
Remove the
d
ependence on Constraints object on t_mdatoms
commit
|
commitdiff
|
tree
2020-05-25
A
rtem Z
h
murov
Remove dependen
c
e o
n
t_mdato
m
s
f
rom GPU version of
.
.
.
commit
|
commitdiff
|
tree
2020-05-23
A
r
te
m
Zh
m
urov
Remove
depe
n
denc
e
on
t
_
m
datoms
f
rom pull
co
d
e
commit
|
commitdiff
|
tree
2020-05-22
Artem Zhmurov
Remove dependence of c
o
nstraint
s
on t_mdatoms
commit
|
commitdiff
|
tree
2020-05-22
Artem Zhmurov
Remove
d
ependen
c
e
o
f constraints on t_md
a
toms
commit
|
commitdiff
|
tree
2020-05-15
Arte
m
Zhmurov
U
n
i
fy
CUDA and
Op
e
n
C
L lookup-t
a
ble creation
commit
|
commitdiff
|
tree
2020-05-11
Artem Z
h
murov
Remove
the dup
l
icating
note f
r
om the release no
t
e
s
commit
|
commitdiff
|
tree
2020-05-11
A
r
tem Zhmurov
Unify CUDA an
d
OpenCL lo
o
kup-table creation
commit
|
commitdiff
|
tree
2020-05-05
Artem Zhmuro
v
U
nify CUDA and OpenCL l
o
okup-table cr
e
a
t
ion
commit
|
commitdiff
|
tree
2020-05-04
Artem
Z
hmurov
Unify CUD
A
and
OpenCL l
o
okup-table creation
commit
|
commitdiff
|
tree
2020-04-29
Artem Zhmu
r
o
v
Fix th
e
num
b
e
r
o
f
s
t
ep
s
c
heck w
h
en checkpo
i
nt
is lo
a
d
e
d
commit
|
commitdiff
|
tree
2020-04-27
Artem Z
h
muro
v
Fix the removal of
CO
M
veloci
t
y
in case
of GPU update
commit
|
commitdiff
|
tree
2020-04-27
A
rtem Z
h
murov
Move PBC setup o
u
t o
f
the
l
aun
c
hK
e
rnel(
.
.
.
)
i
n GPU
.
.
.
commit
|
commitdiff
|
tree
2020-04-20
Artem Zh
m
urov
F
ix
the
n
umber o
f
steps c
h
ec
k
when
c
heckpoint is loaded
commit
|
commitdiff
|
tree
2020-04-16
A
r
tem Zhmurov
New
c
ool quote
commit
|
commitdiff
|
tree
2020-04-16
A
rtem Zhmurov
Unify CUDA and
Open
C
L lookup-table cre
a
tion
commit
|
commitdiff
|
tree
2020-03-25
Artem
Z
hmurov
Make use of the DeviceStr
e
amManager
commit
|
commitdiff
|
tree
2020-03-23
Ar
t
em
Zhmurov
Introduce D
e
v
i
ceStreamManager
commit
|
commitdiff
|
tree
2020-03-20
Artem Zhmurov
A
d
d Open
C
L error rep
o
rting to
G
PU re
g
ion
ti
m
er
commit
|
commitdiff
|
tree
2020-03-20
Artem Zh
m
uro
v
S
mall fixes
t
o th
e
DeviceStream
commit
|
commitdiff
|
tree
2020-03-19
Artem Zhmurov
Sto
r
e
DeviceInformation ins
i
de
the
Dev
i
ceContext cl
a
s
s
commit
|
commitdiff
|
tree
2020-03-19
Artem
Zhmu
r
ov
Pass D
e
viceContext instead
o
f GPU runtime da
t
a
when
.
.
.
commit
|
commitdiff
|
tree
2020-03-18
Artem Zhmurov
Make some d
o
xy
g
en errors more clear
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmurov
Combi
n
e initialization routi
n
e
s
f
o
r G
P
Us assigned t
o
.
.
.
commit
|
commitdiff
|
tree
2020-03-13
Artem
Z
hmurov
R
emove s
t
re
a
m f
r
o
m
G
P
U k
e
rn
e
l launc
h
config
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmurov
Us
e
DeviceStr
e
am init(
.
.
.
)
function to create streams
commit
|
commitdiff
|
tree
2020-03-13
A
r
tem Zhm
u
r
o
v
Make Device
S
t
ream
i
n
t
o a class
commit
|
commitdiff
|
tree
2020-03-11
Artem Zhmurov
Fix
the po
s
t-submit failure
s
commit
|
commitdiff
|
tree
2020-03-11
Artem
Zhmurov
Take
o
ver ma
n
age
m
ent
o
f
OpenCL conte
x
t
f
rom PME an
d
.
.
.
commit
|
commitdiff
|
tree
2020-03-10
Artem Zhmur
o
v
Use in
i
t
(
.
.
) f
u
nct
i
on
t
o build
DeviceC
o
n
text
commit
|
commitdiff
|
tree
2020-03-09
Art
e
m Zhmurov
Make De
v
ic
e
Context into
a
p
roper
c
lass
commit
|
commitdiff
|
tree
2020-03-05
Artem Zhmurov
Finalize renaming of bEner
V
i
r t
o
comp
u
t
e
EnergyA
n
dVi
r
ial
commit
|
commitdiff
|
tree
2020-03-04
Art
e
m Z
h
murov
Do not co
u
n
t
PME only rank when initializing NBNXM
commit
|
commitdiff
|
tree
2020-03-03
A
rtem Zhmurov
Mo
v
e the PmePP
C
ommGpu in
i
tializa
t
io
n
f
r
om forcerec
.
.
.
commit
|
commitdiff
|
tree
2020-03-02
Artem Zhmurov
U
p
date th
e
message on whether u
p
d
a
te and co
n
straint
s
.
.
.
commit
|
commitdiff
|
tree
2020-02-25
Artem Zhmurov
Fix the RVec
to
flo
a
t3 conversion t
e
st
commit
|
commitdiff
|
tree
2020-02-22
Artem Zhm
u
rov
Add
m
issing header and disable failing tes
t
commit
|
commitdiff
|
tree
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