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
Test clang on ARM in nightly matrix
2017-11-02
A
l
e
ksei I
u
p
ino
v
R
eplac
e
math
.
h by cmath incl
u
des in cpp files
commit
|
commitdiff
|
tree
2017-11-01
Aleksei Iupi
n
ov
Remove unused P
M
E GPU declarati
o
ns
commit
|
commitdiff
|
tree
2017-11-01
Alek
s
ei Iupinov
M
o
ve pme_gpu_fini
s
h_computation() documentatio
n
to
.
.
.
commit
|
commitdiff
|
tree
2017-11-01
A
l
eksei Iupi
n
o
v
F
ix erroneo
u
s PM
E
GPU "step" namings
commit
|
commitdiff
|
tree
2017-11-01
Aleksei Iupinov
Si
m
pl
i
f
y
PM
E
GPU synchronizatio
n
code
commit
|
commitdiff
|
tree
2017-10-31
Aleksei Iupinov
Reus
e
e
pbcXY logic
commit
|
commitdiff
|
tree
2017-10-30
Aleksei
I
u
pinov
Fix re
f
erence mode buil
d
unus
e
d
f
unction war
n
ings
commit
|
commitdiff
|
tree
2017-10-30
A
leksei Iupino
v
Brin
g
PME GPU/CUDA in
t
ernal str
u
ctur
e
names t
o
C
a
melCase
commit
|
commitdiff
|
tree
2017-10-30
Al
e
ksei
Iu
p
inov
Use new/delete
f
or gmx_pme_t
commit
|
commitdiff
|
tree
2017-10-30
Ale
k
sei Iupinov
Sim
p
li
f
y PME data handli
n
g in runner
commit
|
commitdiff
|
tree
2017-10-29
Aleksei Iup
i
nov
Make
PME tuni
n
g
l
ogic more readable
commit
|
commitdiff
|
tree
2017-10-27
Alekse
i
Iupinov
R
e
m
o
v
e unuse
d
PME grid dump debug functi
o
ns
commit
|
commitdiff
|
tree
2017-10-27
A
leksei
I
upinov
Replace a few asserts with GMX_ASSERT'
s
commit
|
commitdiff
|
tree
2017-10-27
Aleksei Iupinov
Re
m
ove
d
e
f
unct
PME initializ
a
tion er
r
or cod
e
retur
n
commit
|
commitdiff
|
tree
2017-10-24
Al
e
ksei Iupinov
Remove duplicate
/
o
u
tdat
e
d function
declaration
commit
|
commitdiff
|
tree
2017-10-24
A
l
eksei
Iupinov
Move commre
c
duty check
i
ng into simple get
t
e
r
s
commit
|
commitdiff
|
tree
2017-10-23
A
l
e
ksei Iup
i
nov
Correct the
p
age allocator descri
p
tion
commit
|
commitdiff
|
tree
2017-10-22
Aleks
e
i Iupinov
Change P
M
E
GPU gathe
r
reduc
t
ion argument
from boolean
.
.
.
commit
|
commitdiff
|
tree
2017-10-21
Aleksei
Iupinov
Add calls to the PM
E
GPU st
a
ges
commit
|
commitdiff
|
tree
2017-10-13
Aleks
e
i
I
upin
o
v
Relax
PME sp
l
ine computation tol
e
r
ance in
d
ouble precision
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
Aleksei
Iupinov
Re
m
ove useless ext
e
r
n
C
U
DA texture refer
e
nce
d
eclarations
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
Aleks
e
i Iup
i
n
ov
Re
v
ert
"
D
rop NB_ from GMX_CUDA_NB_SINGLE_COMP
I
LATION_U
N
IT
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Ale
k
sei
I
upinov
Fix clang warnings fo
r
PME CU
D
A
kern
e
ls
commit
|
commitdiff
|
tree
2017-10-11
Aleks
e
i Iupinov
Relax PME solving test c
o
mplex gri
d
t
o
lerance
commit
|
commitdiff
|
tree
2017-10-11
A
l
eksei Iupinov
C
UDA 9/Volta sup
p
ort for PME
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
I
upin
o
v
PME solvin
g
- C
U
DA kernel + u
n
it tests
commit
|
commitdiff
|
tree
2017-10-11
Aleksei I
u
p
i
no
v
PME f
o
r
c
e ga
t
hering - C
U
DA kerne
l
+ unit tests
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
Drop NB_ f
r
om GMX_CUD
A
_NB_SINGLE_COMPILATI
O
N_UNIT cmake
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
Iu
p
inov
P
M
E
s
pline+spread CUDA kernel and u
n
it tests
commit
|
commitdiff
|
tree
2017-10-09
Ale
k
sei Iupinov
Remov
e
some unne
c
essary i
n
cludes from PME
commit
|
commitdiff
|
tree
2017-10-09
Aleksei Iupinov
PME GPU/
C
U
D
A data fra
m
ework
.
commit
|
commitdiff
|
tree
2017-10-06
A
l
eksei Iupinov
Add timing accumulation capability into GpuRegionTimer
commit
|
commitdiff
|
tree
2017-10-04
Aleksei Iupinov
R
e
move GPU
t
i
m
ing func
t
ions superseded by GpuRegionTimer
commit
|
commitdiff
|
tree
2017-10-04
Aleks
e
i
I
u
p
inov
Add GpuRegionTimer class
commit
|
commitdiff
|
tree
2017-10-03
Aleksei Iupinov
Bring CUDA tex
t
ure
g
etter
s
docum
e
ntation up-to-date
commit
|
commitdiff
|
tree
2017-10-03
Aleksei Iupinov
Temp
l
ate/move CU
D
A t
e
xture cleanup code from NB CUDA
.
.
.
commit
|
commitdiff
|
tree
2017-10-03
Alek
s
ei Iupinov
A
dd WinAPI page siz
e
query for allocator
p
u
r
poses
commit
|
commitdiff
|
tree
2017-09-26
Al
e
ksei Iupinov
M
o
ve CU
D
A
texture se
t
up
code
f
rom NB CUDA
modu
l
e to
.
.
.
commit
|
commitdiff
|
tree
2017-09-22
Aleks
e
i Iupino
v
Tem
p
late the CUDA
textur
e
setup code
o
n raw
value type
T
commit
|
commitdiff
|
tree
2017-09-21
Al
e
ksei Iupinov
Eliminat
e
unused Coulomb correct
i
on table s
i
ze coulomb_tab_size
commit
|
commitdiff
|
tree
2017-09-21
Aleksei Iup
i
no
v
Eliminate
d
uplicate CUD
A
te
x
ture setu
p
c
o
d
e
commit
|
commitdiff
|
tree
2017-09-18
Aleksei Iupin
o
v
Ski
p
GPU reallo
c
a
t
ion of an em
p
ty non-local p
a
irlist
commit
|
commitdiff
|
tree
2017-09-14
A
lekse
i
Iupinov
F
ix non-SIMD build failing
commit
|
commitdiff
|
tree
2017-09-12
A
leksei Iupinov
Prevent
r
e
f
e
r
ence X
M
L reader segfa
u
lt
on
n
ullptr error
.
.
.
commit
|
commitdiff
|
tree
2017-09-04
Alek
s
ei Iupin
o
v
M
e
rge "
M
erge branch rel
e
as
e
-
5-1 into release-2016
"
.
.
.
commit
|
commitdiff
|
tree
2017-08-31
Ale
k
sei Iupinov
Bri
n
g
b
ack space lost
i
n commit e43e83bf
commit
|
commitdiff
|
tree
2017-08-29
A
leksei Iu
p
inov
Remove leftover
f
u
n
c
t
ion declaration
commit
|
commitdiff
|
tree
2017-08-29
Aleksei
Iupinov
Fix typo
commit
|
commitdiff
|
tree
2017-08-29
Alek
s
ei Iupino
v
Allow passing o
p
t
ional w
i
dth
a
r
gument into CUDA
shuffle
.
.
.
commit
|
commitdiff
|
tree
2017-08-29
Aleksei
I
u
pinov
Adjust
P
ME
L
J solver test
i
n
pu
t
coefficient
commit
|
commitdiff
|
tree
2017-08-22
Aleksei Iupin
o
v
Separ
a
te P
M
E
spre
a
d
and gather w
a
ll
c
y
cle counters
commit
|
commitdiff
|
tree
2017-08-21
Al
e
ksei Iupinov
PME s
o
lving t
e
sts
commit
|
commitdiff
|
tree
2017-08-17
Aleks
e
i
Iupino
v
Merge "Merge branc
h
r
elea
s
e-
5
-1 into release-
2
016"
.
.
.
commit
|
commitdiff
|
tree
2017-06-30
Aleksei Iupinov
Remove
o
utda
t
ed
cmake nvcc
l
ogic
commit
|
commitdiff
|
tree
2017-06-12
Aleksei Iupin
o
v
S
t
or
e
a
physi
c
a
l
node
co
m
munic
a
tor i
n
t
_
commrec
commit
|
commitdiff
|
tree
2017-03-17
A
l
eksei Iupi
n
ov
Fix dereferencin
g
nullptr in PME solve work dest
r
uc
t
or
commit
|
commitdiff
|
tree
2017-03-03
Aleksei Iupi
n
ov
Remove
outdated CUDA version che
c
k
commit
|
commitdiff
|
tree
2017-02-21
Alek
s
e
i Iupinov
Re
m
ove unused function cu_syn
c
hstream_
a
tdat()
commit
|
commitdiff
|
tree
2017-02-09
Aleksei
Iupi
n
ov
Add init
i
alization t
o
d
vdlambda
i
n
b
ond
e
d
forces test
s
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupinov
Fix typo
(
Dih
e
darl ->
D
ih
e
dr
a
l)
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
PME f
o
rce gathering tests
commit
|
commitdiff
|
tree
2017-02-08
A
l
eksei
Iupinov
Fix i
n
v
a
lid triclinic
b
o
x
i
n the PM
E
t
est data
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
PME spline computat
i
on an
d
charge spreading tests
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
Ad
d
const qualifie
r
to
s
o
me PME spread arguments
commit
|
commitdiff
|
tree
2017-01-19
Aleksei Iupi
n
o
v
Si
m
plify gmx_cou
n
t_gp
u
_dev
_
unique()
commit
|
commitdiff
|
tree
2017-01-19
Aleksei I
u
pinov
PME B-Spline mo
d
u
li
computation u
n
it test
commit
|
commitdiff
|
tree
2017-01-05
Aleksei Iupinov
Fix compilat
i
on
w
ith C
M
AKE_CXX_FLAGS="-Wall -Werr
o
r"
commit
|
commitdiff
|
tree
2016-12-22
Al
e
ksei Iupinov
R
emove un
u
sed member thr
e
ad_
o
n
e
f
r
om the
P
ME spline
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Aleksei Iupinov
S
t
op including parallel_3d
f
ft
.
h
in headers
commit
|
commitdiff
|
tree
2016-12-01
Al
e
ksei Iupinov
Move GPU a
s
signment func
t
ions into a separate f
i
le
commit
|
commitdiff
|
tree
2016-11-21
Aleksei Iupinov
M
o
v
e h
a
rdco
d
e
d
PME grid indexin
g
const
a
n
ts into
header
commit
|
commitdiff
|
tree
2016-11-01
Aleksei Iup
i
n
o
v
Rem
o
ve
i
mat
r
i
x
type
and related unuse
d
/
erroneous code
commit
|
commitdiff
|
tree
2016-10-24
Aleksei Iupinov
T
reat
CUD
A
files
a
s
C+
+
during cpp
c
heck
commit
|
commitdiff
|
tree
2016-10-10
Aleksei Iupinov
Fix trivial PME memory leaks
commit
|
commitdiff
|
tree
2016-09-15
Aleksei Iu
p
inov
Mo
v
e th
e
PME E
w
ald coeff
i
cie
n
ts to the PME s
t
ructure
commit
|
commitdiff
|
tree
2016-09-10
Aleksei Iupinov
Fix
PME data dest
r
uctor not being cal
l
ed
commit
|
commitdiff
|
tree