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Fix CPU detection and SIMD on modern Mac/cmake combos
2017-11-24
Aleksei Iupino
v
Ma
k
e FFT real-space g
r
id use CUDA pinning for
m
ixed
.
.
.
commit
|
commitdiff
|
tree
2017-11-24
Aleks
e
i I
u
pino
v
Pin coord
i
nate
s
, fo
r
ces and charges
for PME on GPU
commit
|
commitdiff
|
tree
2017-11-21
A
l
e
k
sei Iupinov
Fix CUDA releas
e
b
u
i
ld warning
commit
|
commitdiff
|
tree
2017-11-21
A
l
e
k
se
i
Iupinov
Fix
p
inned
memory sta
t
u
s
checker te
s
ts
commit
|
commitdiff
|
tree
2017-11-18
A
leksei
I
upinov
As
y
nchronous C
U
DA transfers are asserted to alwa
y
s
.
.
.
commit
|
commitdiff
|
tree
2017-11-17
A
l
e
k
sei Iupinov
M
a
ke
g
p
u
_u
t
il
s
-test build with GMX_CLANG_C
U
DA
commit
|
commitdiff
|
tree
2017-11-15
Alekse
i
I
u
pinov
Rename and expose "generi
c
" GPU memory tr
a
nsfer functions
commit
|
commitdiff
|
tree
2017-11-09
Aleksei Iupinov
Renam
e
synchr
o
no
u
s GPU
transfer functions to match
.
.
.
commit
|
commitdiff
|
tree
2017-11-02
Aleksei Iupino
v
Replace
m
a
th
.
h by cmath includes i
n
cpp f
i
les
commit
|
commitdiff
|
tree
2017-11-01
Aleksei Iupi
n
ov
Remove
u
nused PM
E
GPU d
e
c
l
arations
commit
|
commitdiff
|
tree
2017-11-01
Aleksei Iupinov
Move pme_gpu_fi
n
ish_
c
o
mputation() doc
u
me
n
tati
o
n to
.
.
.
commit
|
commitdiff
|
tree
2017-11-01
Aleksei Iu
p
inov
Fix erroneous PME GPU "step" na
m
ings
commit
|
commitdiff
|
tree
2017-11-01
Aleksei Iupinov
S
i
mpl
i
f
y
PME GPU synchr
o
nization code
commit
|
commitdiff
|
tree
2017-10-31
Ale
k
s
ei
I
upinov
Reuse epbcXY lo
g
ic
commit
|
commitdiff
|
tree
2017-10-30
Al
e
ksei Iupinov
F
ix
refere
n
ce mo
d
e b
u
i
l
d unused funct
i
on warnings
commit
|
commitdiff
|
tree
2017-10-30
A
l
e
ksei I
u
pinov
Bring PME GPU
/
CUDA internal struct
u
re names
t
o CamelCase
commit
|
commitdiff
|
tree
2017-10-30
Ale
k
sei Iupinov
Use new/
d
el
e
te fo
r
gmx_
p
me_
t
commit
|
commitdiff
|
tree
2017-10-30
Ale
k
sei I
u
pinov
Sim
p
li
f
y PME data
h
andl
i
ng
i
n runner
commit
|
commitdiff
|
tree
2017-10-29
Alekse
i
Iupinov
Make PME tuning logic more rea
d
able
commit
|
commitdiff
|
tree
2017-10-27
Aleksei Iupinov
Rem
o
ve unus
e
d PM
E
grid dump
deb
u
g func
t
ions
commit
|
commitdiff
|
tree
2017-10-27
Alekse
i
I
u
p
i
nov
Replace a few asserts with GMX_ASSERT's
commit
|
commitdiff
|
tree
2017-10-27
Aleks
e
i I
u
pinov
Remove defunct PME initia
l
iza
t
ion error code return
commit
|
commitdiff
|
tree
2017-10-24
Alek
s
ei Iupinov
Remove du
p
licat
e
/
o
u
t
dated func
t
ion
declaration
commit
|
commitdiff
|
tree
2017-10-24
Aleksei
I
u
pinov
Move co
m
mrec
d
uty checking into s
i
mple
g
etter
s
commit
|
commitdiff
|
tree
2017-10-23
Aleksei Iu
p
inov
Corr
e
ct the page allocator d
e
s
c
r
iption
commit
|
commitdiff
|
tree
2017-10-22
Al
e
ksei Iu
p
ino
v
C
hange PME GPU gather red
u
cti
o
n
a
rgu
m
ent
f
r
om bool
e
a
n
.
.
.
commit
|
commitdiff
|
tree
2017-10-21
Aleksei
I
upi
n
ov
A
dd calls to the PME GPU
s
tages
commit
|
commitdiff
|
tree
2017-10-13
Alek
s
e
i Iupinov
Rela
x
PME spline computation to
l
e
rance in doub
l
e precisi
o
n
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
Aleksei I
u
pi
n
ov
Remove useless ex
t
ern CUDA texture
reference declarations
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
Aleksei Iupinov
Reve
r
t
"Drop NB_ from GMX_
C
UDA_NB_SINGLE_COMPILATION_UN
I
T
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
Fix clang war
n
i
ngs
f
o
r
PME CU
D
A kern
e
ls
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
Relax PME solving t
e
st complex grid tol
e
ran
c
e
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupino
v
CUDA 9/Volta
s
upp
o
rt for PME
commit
|
commitdiff
|
tree
2017-10-11
Aleksei
Iupinov
P
M
E solving
-
CUDA k
e
rnel + unit tests
commit
|
commitdiff
|
tree
2017-10-11
A
l
e
ksei Iupinov
PME f
o
rc
e
gath
e
ring -
C
U
DA kernel + unit
te
s
ts
commit
|
commitdiff
|
tree
2017-10-11
Alekse
i
Iupinov
D
ro
p
NB_ from
G
MX_CUDA_NB_SI
N
G
L
E_COMPILATION_
U
NIT cmak
e
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
P
M
E
sp
l
ine
+
sp
r
ead CUDA kernel a
n
d
u
n
it tests
commit
|
commitdiff
|
tree
2017-10-09
A
le
k
sei Iupinov
Remove some
u
nnecessary includes
f
rom PME
commit
|
commitdiff
|
tree
2017-10-09
Aleksei Iupinov
P
M
E GPU/CUDA data
f
ra
m
ework
.
commit
|
commitdiff
|
tree
2017-10-06
Aleksei Iupinov
Add timing acc
u
mulation capability into
GpuRegionTimer
commit
|
commitdiff
|
tree
2017-10-04
Aleksei Iupinov
R
e
m
o
ve GPU t
i
ming functio
n
s
s
u
persed
e
d by Gp
u
RegionTi
m
er
commit
|
commitdiff
|
tree
2017-10-04
Al
e
ksei Iu
p
in
o
v
Add
G
puRegionTimer class
commit
|
commitdiff
|
tree
2017-10-03
Aleksei Iupinov
Bring CUDA t
e
x
t
ure getters documenta
t
ion up-to-date
commit
|
commitdiff
|
tree
2017-10-03
Aleksei
Iupinov
Template/move
CUDA
text
u
re cl
e
anup code from N
B
CUDA
.
.
.
commit
|
commitdiff
|
tree
2017-10-03
Ale
k
sei Iupinov
A
dd WinAPI pa
g
e size query for al
l
ocator purposes
commit
|
commitdiff
|
tree
2017-09-26
Aleksei Iupi
n
ov
Move
CUDA t
e
x
ture s
e
tup code from NB CUDA module t
o
.
.
.
commit
|
commitdiff
|
tree
2017-09-22
Aleksei
I
u
pi
n
ov
T
emplate the CUDA texture setup
c
ode
on
r
aw value type T
commit
|
commitdiff
|
tree
2017-09-21
A
l
e
ksei Iupinov
Eliminat
e
unused Coulomb
co
r
r
e
c
t
ion tab
l
e siz
e
coulomb_tab_size
commit
|
commitdiff
|
tree
2017-09-21
Al
e
ksei Iupinov
Eliminate du
p
li
c
ate CUDA t
e
xture
setup code
commit
|
commitdiff
|
tree
2017-09-18
Aleks
e
i
Iupinov
Ski
p
GPU
reallocation of
a
n
empty non-local pairlist
commit
|
commitdiff
|
tree
2017-09-14
Aleksei Iupinov
Fix non-
S
IMD build failing
commit
|
commitdiff
|
tree
2017-09-12
Aleksei Iupi
n
ov
Prevent
r
eference XML r
e
ader segfault on nullptr erro
r
.
.
.
commit
|
commitdiff
|
tree
2017-09-04
Aleksei
Iu
p
inov
Merge "Merge
b
ranch release-5-1 into
r
elease-2
0
16"
.
.
.
commit
|
commitdiff
|
tree
2017-08-31
A
l
eksei
I
upi
n
ov
B
r
ing back space lost in commit e43e83bf
commit
|
commitdiff
|
tree
2017-08-29
Aleksei Iupinov
Remove leftover function declar
a
tio
n
commit
|
commitdiff
|
tree
2017-08-29
A
l
eksei Iup
i
nov
Fix typo
commit
|
commitdiff
|
tree
2017-08-29
Ale
k
s
e
i Iupinov
A
l
low
passing optional
w
idth argument int
o
CU
D
A shuffle
.
.
.
commit
|
commitdiff
|
tree
2017-08-29
A
l
eksei Iupi
n
ov
Adjus
t
PME L
J
solver t
e
st in
p
ut co
e
fficient
commit
|
commitdiff
|
tree
2017-08-22
Aleks
e
i Iupino
v
Separate PME spre
a
d
an
d
gathe
r
wallcycle co
u
nters
commit
|
commitdiff
|
tree
2017-08-21
Ale
k
sei Iup
i
no
v
PME s
o
lving tests
commit
|
commitdiff
|
tree
2017-08-17
Al
e
ksei Iupinov
Merge "Me
r
ge branch release-5-1
into
r
elease-2016"
.
.
.
commit
|
commitdiff
|
tree
2017-06-30
Aleksei
I
upinov
Remove
o
utd
a
ted cmake
n
vc
c
logic
commit
|
commitdiff
|
tree
2017-06-12
Aleksei Iupinov
Store a physical node co
m
muni
c
ator in
t
_
c
o
m
mre
c
commit
|
commitdiff
|
tree
2017-03-17
Aleksei Iupino
v
F
i
x dereferen
c
i
ng
nullptr
in
P
ME sol
v
e work d
e
structor
commit
|
commitdiff
|
tree
2017-03-03
A
l
eksei Iupinov
Remove outdated CUDA version check
commit
|
commitdiff
|
tree
2017-02-21
Aleksei Iupinov
Rem
o
ve unused function
c
u_s
y
nchs
t
ream_atdat()
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupin
o
v
Add in
i
tialization to dvdlamb
d
a in
b
o
n
ded
forces tes
t
s
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupinov
Fix typo (Dihedarl
-
> Dihedral)
commit
|
commitdiff
|
tree
2017-02-08
Ale
k
s
e
i Iupinov
PME force gathering tests
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupi
n
o
v
Fix invalid t
r
iclinic box in the P
M
E t
e
st data
commit
|
commitdiff
|
tree
2017-01-24
Alek
s
ei
I
u
p
i
nov
PME spli
n
e
co
m
p
u
tation
and charge spreadin
g
tests
commit
|
commitdiff
|
tree
2017-01-24
Alekse
i
Iup
i
nov
Add co
n
s
t
qualifier to
s
ome P
M
E
s
pread ar
g
um
e
nts
commit
|
commitdiff
|
tree
2017-01-19
A
leksei Iup
i
nov
S
i
mplify gmx_count_
g
pu_dev_uniqu
e
()
commit
|
commitdiff
|
tree
2017-01-19
Ale
k
sei I
u
pinov
PME B-Spl
i
ne moduli comput
a
t
ion
u
n
it test
commit
|
commitdiff
|
tree
2017-01-05
Alekse
i
Iupinov
Fix compilat
i
on with CMAK
E
_CXX_FLAG
S
="-Wa
l
l
-Werro
r
"
commit
|
commitdiff
|
tree
2016-12-22
A
le
k
sei Iupino
v
Remove unused
member
t
hread
_
o
ne fro
m
the PM
E
spline
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Aleksei
Iupinov
St
o
p incl
u
d
i
ng
p
ara
l
lel_
3
dfft
.
h
in headers
commit
|
commitdiff
|
tree
2016-12-01
Aleksei Iupinov
M
o
ve GPU assignment
f
u
n
c
tion
s
int
o
a separate f
i
le
commit
|
commitdiff
|
tree
2016-11-21
Alekse
i
Iup
i
nov
M
ove hard
c
o
d
ed PM
E
gr
i
d index
i
ng constants into
header
commit
|
commitdiff
|
tree
2016-11-01
A
l
eksei I
u
pinov
Remo
v
e im
a
trix type an
d
related un
u
sed/errone
o
u
s co
d
e
commit
|
commitdiff
|
tree
2016-10-24
Al
e
ksei
I
u
pinov
Treat
CUDA f
i
les
a
s C++ d
u
ring
cppcheck
commit
|
commitdiff
|
tree
2016-10-10
Alek
s
ei Iupinov
Fix t
r
ivial P
M
E memor
y
l
eak
s
commit
|
commitdiff
|
tree
2016-09-15
Al
e
ks
e
i Iupin
o
v
M
o
ve the PME Ewald coeff
i
ci
e
nts to the PME st
r
ucture
commit
|
commitdiff
|
tree
2016-09-10
A
l
eksei Iupinov
F
ix PME d
a
ta destruc
t
o
r n
o
t
being ca
l
led
commit
|
commitdiff
|
tree