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
Do not force separate PME rank to recompute reciprocal box every step
2017-11-27
Aleksei Iupinov
D
o
n
o
t
f
orce separate PME rank to re
c
ompute reciprocal
.
.
.
commit
|
commitdiff
|
tree
2017-11-27
Aleksei Iu
p
inov
Disable f
a
ili
n
g se
p
arate PME rank tests
commit
|
commitdiff
|
tree
2017-11-27
A
l
eksei Iupinov
A
dd t
e
sts
f
or PME tuning and f
i
x
m
i
xe
d
PME mode with
.
.
.
commit
|
commitdiff
|
tree
2017-11-24
Aleksei Iupinov
D
e
stroy PME GPU context
commit
|
commitdiff
|
tree
2017-11-24
Alek
s
ei
I
upinov
Enab
l
e
se
p
a
rate PME GPU rank
commit
|
commitdiff
|
tree
2017-11-24
A
l
eksei
I
upinov
Do
not
c
a
ll mixed CPU+GPU
PME
m
ode "Hybrid"
commit
|
commitdiff
|
tree
2017-11-24
A
leksei Iup
i
no
v
Activate mixed mode of PME
on GPU
commit
|
commitdiff
|
tree
2017-11-24
Ale
k
sei Iupinov
Remove outdated (already i
m
p
l
e
m
ented) pinning
T
ODO
commit
|
commitdiff
|
tree
2017-11-24
Aleksei
Iupinov
Mention
gmx_instal
l
_headers() in the develop
e
r man
u
al
commit
|
commitdiff
|
tree
2017-11-24
Aleksei Iupinov
Make FFT real-spac
e
g
rid use CUDA p
i
nning for mi
x
ed
.
.
.
commit
|
commitdiff
|
tree
2017-11-24
Alek
s
ei Iupinov
Pin coo
r
dinate
s
,
f
orces and charges for PME on GPU
commit
|
commitdiff
|
tree
2017-11-21
Aleksei
I
u
p
inov
Fix CUDA release build warning
commit
|
commitdiff
|
tree
2017-11-21
Ale
k
sei Iup
i
nov
F
i
x pinned m
e
m
o
r
y status checker
t
e
sts
commit
|
commitdiff
|
tree
2017-11-18
Al
e
ksei Iupinov
A
s
ynchronous
C
UDA tra
n
sfers are asserted
t
o al
w
ay
s
.
.
.
commit
|
commitdiff
|
tree
2017-11-17
A
l
eksei Iupinov
Make gpu_
u
tils
-
test buil
d
with GMX
_
CLA
N
G_
C
U
DA
commit
|
commitdiff
|
tree
2017-11-15
Aleksei Iupinov
Rename and expose "generi
c
"
GPU
m
emor
y
transfer functions
commit
|
commitdiff
|
tree
2017-11-09
Alekse
i
Iu
p
inov
Rename synchrono
u
s GPU tran
s
f
er f
u
nc
t
i
o
ns to match
.
.
.
commit
|
commitdiff
|
tree
2017-11-02
Aleksei Iupinov
Repl
a
ce m
a
th
.
h by cmat
h
in
c
ludes
i
n cpp files
commit
|
commitdiff
|
tree
2017-11-01
A
l
eksei Iupin
o
v
Remov
e
u
nused PME GPU
d
ecl
a
rations
commit
|
commitdiff
|
tree
2017-11-01
A
l
e
ksei Iu
p
inov
Move pme_gpu_finish_co
m
putati
o
n() documentati
o
n to
.
.
.
commit
|
commitdiff
|
tree
2017-11-01
Al
e
ksei Iup
i
nov
Fix erroneous PME GPU "step" namin
g
s
commit
|
commitdiff
|
tree
2017-11-01
A
l
e
ks
e
i I
u
p
ino
v
Si
m
pl
i
fy PME GPU sy
n
chroni
z
ati
o
n co
d
e
commit
|
commitdiff
|
tree
2017-10-31
Aleksei Iupinov
Reuse epbcXY logi
c
commit
|
commitdiff
|
tree
2017-10-30
Aleksei Iupinov
Fix refe
r
ence mod
e
b
u
i
ld unused function warnings
commit
|
commitdiff
|
tree
2017-10-30
Aleksei
Iupinov
Bring PM
E
GPU/
C
UDA internal str
u
c
tu
r
e n
a
m
es to Came
l
C
a
se
commit
|
commitdiff
|
tree
2017-10-30
Aleksei Iupi
n
ov
Us
e
new/
d
elete for gmx_
p
me_t
commit
|
commitdiff
|
tree
2017-10-30
Aleksei
I
upinov
Simpli
f
y P
M
E da
t
a handling in r
u
nner
commit
|
commitdiff
|
tree
2017-10-29
Al
e
ksei Iupino
v
Make PME tu
n
ing
l
ogic more readable
commit
|
commitdiff
|
tree
2017-10-27
Aleksei
I
upinov
Remove
u
nused
P
ME grid dump de
b
ug f
u
nctions
commit
|
commitdiff
|
tree
2017-10-27
Al
e
k
sei Iupinov
Replace a f
e
w ass
e
r
t
s with G
M
X_ASSER
T
's
commit
|
commitdiff
|
tree
2017-10-27
Aleksei Iupinov
Remo
v
e defunct PME initialization
e
rro
r
code return
commit
|
commitdiff
|
tree
2017-10-24
Ale
k
sei Iupino
v
R
e
move duplicate/out
d
at
e
d function dec
l
aration
commit
|
commitdiff
|
tree
2017-10-24
Alekse
i
Iupino
v
Mo
v
e commrec duty checking into simple g
e
tters
commit
|
commitdiff
|
tree
2017-10-23
A
l
ekse
i
Iu
p
i
n
o
v
Co
r
rect the page al
l
oc
a
tor description
commit
|
commitdiff
|
tree
2017-10-22
Aleksei Iupinov
Change PME GPU gather red
u
ction a
r
gument f
r
om b
o
olean
.
.
.
commit
|
commitdiff
|
tree
2017-10-21
Al
e
k
s
e
i
Iupi
n
ov
Add calls to the
PME GPU stag
e
s
commit
|
commitdiff
|
tree
2017-10-13
Ale
k
sei Iupinov
Relax PME spline computat
i
on tolerance i
n
double pre
c
isi
o
n
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
A
lek
s
ei I
u
pinov
Remove use
l
e
ss extern CUDA text
u
re
reference declar
a
tions
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
Aleksei I
u
pinov
R
e
vert "Drop N
B
_ from GMX_
C
UDA_
N
B_SI
N
GLE_C
O
MP
I
L
A
TION_UNIT
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Ale
k
se
i
Iupin
o
v
Fix clang
war
n
i
n
gs
for PM
E
CUDA
k
ernels
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
Iupinov
R
e
lax PME solving tes
t
complex grid tole
r
a
n
c
e
commit
|
commitdiff
|
tree
2017-10-11
Alekse
i
Iupinov
CUDA 9
/
Volta supp
o
rt for
PME
commit
|
commitdiff
|
tree
2017-10-11
Aleks
e
i Iup
i
nov
P
M
E
solving - CUDA kerne
l
+
u
nit tests
commit
|
commitdiff
|
tree
2017-10-11
A
leksei Iupinov
PM
E
for
c
e ga
t
hering - CU
D
A kerne
l
+ unit tests
commit
|
commitdiff
|
tree
2017-10-11
Al
e
ksei Iup
i
no
v
Dro
p
NB_ from GMX_CUDA_NB
_
SINGLE
_
C
O
MPILA
T
ION_UNIT cmake
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
PME spline+spread CUDA kernel and
unit tests
commit
|
commitdiff
|
tree
2017-10-09
Aleks
e
i Iupinov
Rem
o
ve
s
om
e
u
n
necessary incl
u
des fro
m
PME
commit
|
commitdiff
|
tree
2017-10-09
Ale
k
sei
Iupinov
PME GPU/CUDA data framework
.
commit
|
commitdiff
|
tree
2017-10-06
Ale
k
s
ei Iupinov
Add t
i
ming accumulation capa
b
i
lity
i
nto
G
puRegion
T
imer
commit
|
commitdiff
|
tree
2017-10-04
Aleksei
I
upinov
Remove GPU timing function
s
superseded by G
p
uRegionTi
m
er
commit
|
commitdiff
|
tree
2017-10-04
Alekse
i
Iu
p
inov
Add Gpu
R
eg
i
o
n
Timer class
commit
|
commitdiff
|
tree
2017-10-03
Aleksei Iupinov
Bring CUDA texture
g
etters documentation
up-to-
d
ate
commit
|
commitdiff
|
tree
2017-10-03
A
lekse
i
Iupi
n
ov
Template/move CUDA tex
t
ur
e
clean
u
p
code
from
NB CUDA
.
.
.
commit
|
commitdiff
|
tree
2017-10-03
Aleksei I
u
pinov
Add Win
A
PI pa
g
e size qu
e
ry f
o
r allocator purp
o
s
e
s
commit
|
commitdiff
|
tree
2017-09-26
Aleksei Iupi
n
ov
Mo
v
e CUDA
t
e
xtur
e
setup code f
r
om NB CUDA module to
.
.
.
commit
|
commitdiff
|
tree
2017-09-22
Aleksei Iu
p
i
n
ov
Tem
p
la
t
e t
h
e CUDA te
x
t
ure se
t
up cod
e
o
n
raw value ty
p
e T
commit
|
commitdiff
|
tree
2017-09-21
Aleksei
Iupinov
Elimin
a
t
e
unused C
o
ulo
m
b
corr
e
ct
i
on table size coulomb_tab_size
commit
|
commitdiff
|
tree
2017-09-21
Aleksei
Iupin
o
v
E
l
iminate duplicate CUDA tex
t
ure se
t
up code
commit
|
commitdiff
|
tree
2017-09-18
Alek
s
ei Iupinov
Skip GPU reallo
c
at
i
o
n of an empty non-loc
a
l
pairlist
commit
|
commitdiff
|
tree
2017-09-14
Aleksei Iupino
v
Fix non-SIMD build failing
commit
|
commitdiff
|
tree
2017-09-12
A
le
k
sei Iupin
o
v
P
r
event referen
c
e XML
reader segfault on n
u
ll
p
tr error
.
.
.
commit
|
commitdiff
|
tree
2017-09-04
Alekse
i
Iupinov
Merge "Merge
b
ranch release-5-1 in
t
o release-2
0
16"
.
.
.
commit
|
commitdiff
|
tree
2017-08-31
Aleksei Iu
p
i
n
ov
Bring
b
ack space lost in c
o
m
m
it e43e83bf
commit
|
commitdiff
|
tree
2017-08-29
Alekse
i
Iupinov
Remove lefto
v
er functio
n
d
e
clar
a
t
i
on
commit
|
commitdiff
|
tree
2017-08-29
Ale
k
sei
Iup
i
nov
Fix t
y
p
o
commit
|
commitdiff
|
tree
2017-08-29
Alekse
i
Iu
p
in
o
v
Allo
w
passing opt
i
o
n
al width a
r
g
ument
i
n
to
C
U
D
A shuffle
.
.
.
commit
|
commitdiff
|
tree
2017-08-29
Alek
s
ei Iupinov
Adju
s
t PME
LJ s
o
lver
t
e
st inpu
t
coefficient
commit
|
commitdiff
|
tree
2017-08-22
Aleks
e
i Iu
p
i
n
ov
Separate PME
sprea
d
a
nd gather wallcycle counters
commit
|
commitdiff
|
tree
2017-08-21
Alek
s
ei Iupi
n
o
v
PME
s
o
lving
test
s
commit
|
commitdiff
|
tree
2017-08-17
Al
e
ksei Iupi
n
ov
Merge "M
e
r
ge branch release-5-1 in
t
o
release-2016"
.
.
.
commit
|
commitdiff
|
tree
2017-06-30
Aleks
e
i
Iupin
o
v
Remove outdated
c
make nvcc
l
ogic
commit
|
commitdiff
|
tree
2017-06-12
Aleksei Iupin
o
v
St
o
re a
p
hysi
c
al no
d
e
communicator in t_commre
c
commit
|
commitdiff
|
tree
2017-03-17
A
l
ekse
i
Iupi
n
ov
Fi
x
dereferenc
i
ng nullptr in P
M
E solv
e
work dest
r
uctor
commit
|
commitdiff
|
tree
2017-03-03
Alekse
i
Iupinov
Remove outdat
e
d
CUDA v
e
rsio
n
check
commit
|
commitdiff
|
tree
2017-02-21
Ale
k
sei Iupinov
Re
m
ove unused function cu_synchstream_atdat()
commit
|
commitdiff
|
tree
2017-02-09
Aleksei
I
upinov
A
d
d ini
t
i
a
lization
t
o dvdlambda
in b
o
nded for
c
es tests
commit
|
commitdiff
|
tree
2017-02-09
Alekse
i
Iupi
n
ov
Fix
t
ypo (Di
h
edarl -> Dihedral)
commit
|
commitdiff
|
tree
2017-02-08
Alekse
i
Iup
i
nov
PME force gathering tests
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
F
i
x in
v
alid tr
i
clinic box in
t
he PME test data
commit
|
commitdiff
|
tree
2017-01-24
Aleksei I
u
pi
n
ov
PME spline
computation and ch
a
r
g
e s
p
r
e
ading
tests
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
Add cons
t
quali
f
ier to some PME spread argumen
t
s
commit
|
commitdiff
|
tree
2017-01-19
Aleksei Iupinov
Simplify gmx
_
count_gpu_de
v
_unique()
commit
|
commitdiff
|
tree
2017-01-19
Aleksei Iupinov
PME B-Spline
m
od
u
li
computation unit test
commit
|
commitdiff
|
tree
2017-01-05
Aleksei Iupinov
F
i
x compilation with CMA
K
E_CXX_FLA
G
S="-Wall -Werror"
commit
|
commitdiff
|
tree
2016-12-22
Ale
k
sei I
u
pi
n
ov
Remo
v
e
u
nu
s
ed memb
e
r thread
_
one from t
h
e P
M
E sp
l
ine
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
A
lekse
i
Iupi
n
ov
Stop i
n
clud
i
ng
parall
e
l_3dfft
.
h in
h
eaders
commit
|
commitdiff
|
tree
2016-12-01
Aleksei
I
upinov
Move GPU assignment
f
u
nctions int
o
a se
p
arate
f
ile
commit
|
commitdiff
|
tree
2016-11-21
Ale
k
sei
Iupinov
Move hardcoded PME grid inde
x
ing cons
t
ants into header
commit
|
commitdiff
|
tree
2016-11-01
Aleksei Iup
i
nov
Remove imatrix type and related unused/e
r
roneous
cod
e
commit
|
commitdiff
|
tree
2016-10-24
Aleksei Iupinov
T
re
a
t CUDA file
s
as C++ during
c
ppcheck
commit
|
commitdiff
|
tree
2016-10-10
Aleksei Iupinov
Fix
t
rivia
l
PME
m
e
mory leaks
commit
|
commitdiff
|
tree
2016-09-15
Aleksei Iupino
v
Move the
PME E
w
ald coefficients to the
P
ME st
r
uc
t
u
re
commit
|
commitdiff
|
tree
2016-09-10
Aleksei Iupinov
Fix P
M
E d
a
t
a
d
e
s
t
ructor not being cal
l
ed
commit
|
commitdiff
|
tree