repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Set active device when the device stream manager is initialized
2020-09-20
Artem Zhmuro
v
Set active devic
e
when the dev
i
ce
s
tre
a
m manag
e
r is
.
.
.
commit
|
commitdiff
|
tree
2020-09-20
A
rtem
Zhmuro
v
A
l
low
using old enviro
n
m
en
t
variables
,
but print deprec
a
tio
n
.
.
.
commit
|
commitdiff
|
tree
2020-09-17
Artem
Zhmurov
Remo
v
e
the CPU hardware context from the general list
.
.
.
commit
|
commitdiff
|
tree
2020-09-15
Artem
Z
hmurov
Us
e
c
ommon
device
c
o
ntext hea
d
er for Op
e
nCL
commit
|
commitdiff
|
tree
2020-09-15
Artem Zhmurov
Fix VS
i
te out of range error message
commit
|
commitdiff
|
tree
2020-09-14
A
rtem
Z
hmuro
v
Use common device
c
o
n
t
ext
h
eader for Ope
n
CL
commit
|
commitdiff
|
tree
2020-09-11
Artem Zhmu
r
ov
D
efine s
t
ubs f
o
r GPU data
str
u
c
t
u
res in SYCL to make
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
Artem Zhmurov
Use com
m
on d
e
vice context
h
eader
for OpenCL
commit
|
commitdiff
|
tree
2020-09-10
Artem Zhmurov
Use
d
evice in
f
o
r
m
a
tion object ins
t
ead of
i
d whe
n
performing
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
Artem Zhmur
o
v
Unify mo
r
e functio
n
s in CUDA a
n
d
OpenCL implem
e
ntation
s
.
.
.
commit
|
commitdiff
|
tree
2020-09-09
Artem
Zhmu
r
ov
Re
s
t
ore GMX_FOR
C
E_UPDA
T
E
_DE
F
AULT_G
P
U envir
o
nment varibl
e
.
.
.
commit
|
commitdiff
|
tree
2020-09-07
Artem Z
h
murov
Remove
i
n-body com
m
ent fr
o
m init_force
r
e
c(
.
.
.
) fu
n
ction
commit
|
commitdiff
|
tree
2020-09-07
A
rtem Zhmurov
Fix clang-format
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmurov
Access the
d
evice status
d
irectly, remov
e
t
h
e getter
commit
|
commitdiff
|
tree
2020-08-24
Artem
Z
hmurov
Move GPU de
v
ices management in
t
o
h
ardware subfolder
commit
|
commitdiff
|
tree
2020-08-14
A
rtem Zhmur
o
v
Fix DeviceStreamManager te
s
ts
commit
|
commitdiff
|
tree
2020-07-29
Artem Zhm
u
rov
Revert
c
++-17 features that are not suppo
r
ted by CU
D
A
.
.
.
commit
|
commitdiff
|
tree
2020-07-29
Artem
Zhmurov
Revert c++-17 features that
a
r
e n
o
t supported by
CUDA
.
.
.
commit
|
commitdiff
|
tree
2020-07-27
Arte
m
Zhmu
r
ov
Fix clang-ti
d
y w
a
rning
commit
|
commitdiff
|
tree
2020-07-15
Artem Zhmurov
Fix the suspicious string literal er
r
or in G
P
U
s
t
a
tus
.
.
.
commit
|
commitdiff
|
tree
2020-07-07
Artem Zhmurov
Make cl_nbp
a
ram into a st
r
u
c
t
commit
|
commitdiff
|
tree
2020-06-26
A
r
tem Zhmu
r
o
v
Ma
k
e h
o
lder for simulation confi
g
uration
commit
|
commitdiff
|
tree
2020-06-25
Artem Zhmurov
M
a
ke cl_nbpar
a
m
i
nto a struct
commit
|
commitdiff
|
tree
2020-06-24
Artem Zhmurov
Fix minor n
i
t-p
i
cks
commit
|
commitdiff
|
tree
2020-06-22
Artem Zhmu
r
ov
Re
m
ove
Dev
i
c
eStream include from
G
PU
t
ra
i
ts
commit
|
commitdiff
|
tree
2020-06-16
A
r
tem Z
h
m
u
r
o
v
Add missing e
n
d-of
-
line in the GPU update assignment
.
.
.
commit
|
commitdiff
|
tree
2020-06-12
Artem Zhmur
o
v
Replac
e
compi
l
e_cpp_a
s
_cuda(
.
.
.
) with
CUDA run
t
i
m
e
.
.
.
commit
|
commitdiff
|
tree
2020-06-09
A
r
t
em Zhmurov
M
ake SD stuff
private for update
.
c
pp
commit
|
commitdiff
|
tree
2020-06-09
A
rte
m
Zhmu
r
o
v
Make S
D
s
tuff private
f
o
r
u
pda
t
e
.
c
p
p
commit
|
commitdiff
|
tree
2020-06-08
Artem Zhmurov
Move constraints related
logic
to constraints fil
e
commit
|
commitdiff
|
tree
2020-06-08
Arte
m
Zhmu
r
o
v
Unify V
d
W and E
l
ectrostatic kernel enumerations
i
n
.
.
.
commit
|
commitdiff
|
tree
2020-06-05
A
rtem Zhmurov
M
ove
ca
l
c
u
lation of kinetic
e
nergy to md_support
commit
|
commitdiff
|
tree
2020-06-05
Arte
m
Zhmurov
M
ak
e
a error m
e
ssage less confusing
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmurov
Make a e
r
ror message
less confusing
commit
|
commitdiff
|
tree
2020-06-04
Arte
m
Zhmurov
Upd
a
te the
r
e
lease note
s
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmurov
Cool quote
commit
|
commitdiff
|
tree
2020-05-29
Arte
m
Zhmur
o
v
Unify initializat
i
on o
f
GPU and CPU SETTLE
commit
|
commitdiff
|
tree
2020-05-26
Artem
Z
hmu
r
ov
Remove the d
e
pendence on
Constr
a
ints object on t_mdatoms
commit
|
commitdiff
|
tree
2020-05-25
Artem Zhmurov
Remove
d
epende
n
ce on t_mdatoms from
G
PU vers
i
on of
.
.
.
commit
|
commitdiff
|
tree
2020-05-23
Artem Zhmu
r
ov
Remove dependence on t_mdat
o
ms from pull cod
e
commit
|
commitdiff
|
tree
2020-05-22
Artem Zhmurov
R
emo
v
e depend
e
n
ce of cons
t
r
ai
n
ts on t_mdatoms
commit
|
commitdiff
|
tree
2020-05-22
Art
e
m Zhmurov
Rem
o
ve depe
n
de
n
ce
o
f constrain
t
s
o
n
t
_mdatoms
commit
|
commitdiff
|
tree
2020-05-15
Artem Zhmurov
U
n
ify CU
D
A and OpenCL lookup-table creation
commit
|
commitdiff
|
tree
2020-05-11
Artem
Z
hmurov
Remove
the duplicatin
g
note from the releas
e
notes
commit
|
commitdiff
|
tree
2020-05-11
A
r
t
e
m
Zhm
u
rov
Unify CUDA and
O
p
e
nCL lookup-
t
a
bl
e
creation
commit
|
commitdiff
|
tree
2020-05-05
A
rtem Zhmurov
Un
i
fy
CUDA
and OpenCL look
u
p-table creation
commit
|
commitdiff
|
tree
2020-05-04
Artem Zhmurov
Unify CUD
A
and
Ope
n
CL lookup
-
ta
b
le creatio
n
commit
|
commitdiff
|
tree
2020-04-29
Artem Zhmurov
Fi
x
t
h
e number o
f
steps ch
e
ck w
h
en c
h
eckpoint is loaded
commit
|
commitdiff
|
tree
2020-04-27
Arte
m
Zhmurov
F
i
x the r
e
moval of COM
v
el
o
ci
t
y
i
n
c
a
se of GPU updat
e
commit
|
commitdiff
|
tree
2020-04-27
Ar
t
em Zh
m
urov
M
ove
P
BC setup out
o
f the
l
a
u
nchKernel(
.
.
.
)
in GPU
.
.
.
commit
|
commitdiff
|
tree
2020-04-20
Artem Zhmur
o
v
F
ix
th
e
nu
m
ber
o
f
s
teps check
when checkpo
i
nt is l
o
aded
commit
|
commitdiff
|
tree
2020-04-16
Arte
m
Zhmu
r
ov
N
e
w cool quot
e
commit
|
commitdiff
|
tree
2020-04-16
Artem
Zh
m
urov
Unify CUDA and OpenC
L
l
o
okup-table creation
commit
|
commitdiff
|
tree
2020-03-25
Arte
m
Zhm
u
rov
Make use
of the DeviceStre
a
mManage
r
commit
|
commitdiff
|
tree
2020-03-23
Artem Zhmu
r
ov
Introduce DeviceStream
M
anage
r
commit
|
commitdiff
|
tree
2020-03-20
A
r
te
m
Z
hmurov
Add
OpenCL e
r
r
o
r
reporting to GPU
regi
o
n timer
commit
|
commitdiff
|
tree
2020-03-20
Artem Zhmu
r
ov
Small fixes to
t
he Devi
c
e
S
t
r
e
a
m
commit
|
commitdiff
|
tree
2020-03-19
Artem Zhmurov
Sto
r
e DeviceInformation
i
nside
t
he
D
eviceContext class
commit
|
commitdiff
|
tree
2020-03-19
Artem
Zhmurov
Pass Devi
c
eConte
x
t instead of GPU runtime
d
ata whe
n
.
.
.
commit
|
commitdiff
|
tree
2020-03-18
Artem Zhmurov
Make some doxygen
e
rro
r
s more clear
commit
|
commitdiff
|
tree
2020-03-13
Art
e
m Zhmurov
Combine in
i
tializ
a
tion
routines for GPUs assigne
d
to
.
.
.
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmurov
Remove stream from
G
P
U ke
r
ne
l
launch config
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmu
r
o
v
Use DeviceStream init(
.
.
.
) function to c
r
eate
streams
commit
|
commitdiff
|
tree
2020-03-13
Ar
t
em Zhmurov
Mak
e
DeviceStream into a class
commit
|
commitdiff
|
tree
2020-03-11
A
rt
e
m Zhmurov
F
ix the
post-su
b
mit failu
r
es
commit
|
commitdiff
|
tree
2020-03-11
A
r
tem
Z
h
m
urov
Take over ma
n
agement of OpenCL
context fro
m
PME and
.
.
.
commit
|
commitdiff
|
tree
2020-03-10
A
r
t
e
m Zh
m
urov
Use ini
t
(
.
.
)
f
unction to bu
i
ld DeviceCon
t
ext
commit
|
commitdiff
|
tree
2020-03-09
Artem Zhmurov
M
a
ke Devic
e
Context into
a
proper class
commit
|
commitdiff
|
tree
2020-03-05
Artem
Z
hmurov
F
i
nalize renaming of
b
EnerVir to computeEnergyAndViri
a
l
commit
|
commitdiff
|
tree
2020-03-04
Artem Zhmur
o
v
Do
not cou
n
t P
M
E
only rank when ini
t
i
a
lizing
NBNXM
commit
|
commitdiff
|
tree
2020-03-03
Artem
Z
hmurov
Move the PmePPCommG
p
u in
i
tial
i
zation f
r
om forcerec
.
.
.
commit
|
commitdiff
|
tree
2020-03-02
Artem Zhmu
r
ov
U
p
date the messag
e
on wheth
e
r
update and cons
t
ra
i
nts
.
.
.
commit
|
commitdiff
|
tree
2020-02-25
Artem Zhmurov
Fix the RVec t
o
flo
a
t3 conv
e
r
s
ion test
commit
|
commitdiff
|
tree
2020-02-22
Artem Zhmurov
Add missing header and disable
faili
n
g
t
e
st
commit
|
commitdiff
|
tree
2020-02-21
Artem Z
h
murov
Refactor and
e
n
able RVec to float c
o
nversi
o
n
test
commit
|
commitdiff
|
tree
2020-02-20
Artem Zhm
u
rov
Do no
t
call P
M
E GPU bui
l
der
in CPU code
paths
commit
|
commitdiff
|
tree
2020-02-20
A
r
tem Zhmurov
Use GRO
M
ACS wrappers f
o
r EXPECT_THROW/NO_THROW
in PME
.
.
.
commit
|
commitdiff
|
tree
2020-02-20
Artem Zhmurov
U
s
e CUDA float3 vector type in
s
tea
d
of fve
c
in GPU
.
.
.
commit
|
commitdiff
|
tree
2020-02-11
Art
e
m Zhmuro
v
Clean
u
p trivial f
u
nctio
n
and duplicating
m
ac
r
oses
.
.
.
commit
|
commitdiff
|
tree
2020-02-11
A
rtem Zhmurov
Fix th
e
nightly failure
commit
|
commitdiff
|
tree
2020-02-08
Art
e
m Zhmurov
Temporary di
s
ab
l
e RVec->flo
a
t3 co
n
v
e
rsion test to fix
.
.
.
commit
|
commitdiff
|
tree
2020-02-06
Artem Zhmur
o
v
Use
R
Vec instead of
f
l
oat
f
or x, v and f d
e
vi
c
e buffers
commit
|
commitdiff
|
tree
2020-02-06
Art
e
m
Z
h
mur
o
v
Move Devic
e
In
f
o into GPU
traits
commit
|
commitdiff
|
tree
2020-02-05
A
rte
m
Zhmu
r
ov
M
a
ke O
p
en
C
L
D
eviceVendor
i
n
t
o en
u
m cla
s
s and move to
.
.
.
commit
|
commitdiff
|
tree
2020-02-05
Artem
Zhmuro
v
Move non-bo
n
ded initialization
o
ut of the fo
r
cerec
commit
|
commitdiff
|
tree
2020-02-05
Artem Zhm
u
rov
Fix
t
y
po
i
n and remove a couple of duplicates from
.
.
.
commit
|
commitdiff
|
tree
2020-02-03
Arte
m
Zhmurov
E
n
able G
P
U
updat
e
f
or supported cases of FEP
commit
|
commitdiff
|
tree
2020-02-01
Artem Zhmuro
v
Coup
l
e cool
q
uotes
commit
|
commitdiff
|
tree
2020-02-01
Artem Zhmurov
Merge "Merge branch origin/
r
e
l
e
a
se-2020 into master"
commit
|
commitdiff
|
tree
2020-01-30
Artem Zhmurov
Cle
a
ning bo
o
leans in NBNXM in
O
p
e
nCL
b
uild
commit
|
commitdiff
|
tree
2020-01-29
Art
e
m Zhmurov
R
e
o
rganize
GPU
s
tuff ini
t
ial
i
zation in PME-only
ranks
commit
|
commitdiff
|
tree
2020-01-29
A
r
tem
Z
hmurov
Split and mo
v
e th
e
check
D
e
v
iceB
u
ffer(
.
.
.
)
fu
n
ction
.
.
.
commit
|
commitdiff
|
tree
2020-01-29
Artem Zhmurov
Remove the
r
est of th
e
device coo
r
dinates management
.
.
.
commit
|
commitdiff
|
tree
2020-01-29
Artem Zhmur
o
v
R
e
na
m
e
Upda
t
eConstraintsCud
a
to UpdateConstraintsGp
u
commit
|
commitdiff
|
tree
2020-01-23
Artem Zhmuro
v
Fix a couple of commas i
n
cool quotes
commit
|
commitdiff
|
tree
2020-01-20
Art
e
m
Zhmurov
Rename SettleCuda to SettleGpu
commit
|
commitdiff
|
tree
2020-01-20
A
r
tem Zhmurov
Rename LincsCuda in
t
o LincsGpu
commit
|
commitdiff
|
tree
2020-01-20
Ar
t
em Zhmurov
Rename LeapFrogCuda to Lea
p
F
rogGpu
commit
|
commitdiff
|
tree
2020-01-13
A
rtem Z
h
muro
v
Report if update is ru
n
ning
on
t
he GPU or on the CP
U
commit
|
commitdiff
|
tree
2020-01-09
Artem
Zhmurov
Change signature of th
e
se
t
Pbc(
.
.
.
) m
e
t
h
o
d in updat
e
.
.
.
commit
|
commitdiff
|
tree
next