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Do not call mixed CPU+GPU PME mode "Hybrid"
2017-11-24
Al
e
k
s
e
i
Iup
i
nov
Do not
call mixed CPU+GPU PME mode "
H
y
brid"
commit
|
commitdiff
|
tree
2017-11-24
Ale
k
sei Iu
p
i
n
ov
Activa
t
e m
i
xed mode of
PM
E
on
GPU
commit
|
commitdiff
|
tree
2017-11-24
Aleksei Iupinov
Remove
ou
t
dat
e
d (already impl
e
ment
e
d
)
pinning T
O
DO
commit
|
commitdiff
|
tree
2017-11-24
Aleksei
Iupin
o
v
Mention gmx_install_header
s
()
in
t
h
e
d
evelop
e
r ma
n
ual
commit
|
commitdiff
|
tree
2017-11-24
A
l
eks
e
i
I
upinov
M
a
ke FFT
re
a
l-space grid
u
se CUD
A
pinning for
m
ix
e
d
.
.
.
commit
|
commitdiff
|
tree
2017-11-24
Al
e
ksei Iupinov
Pin coordinates, f
o
r
c
es an
d
c
h
arges for
P
ME on GPU
commit
|
commitdiff
|
tree
2017-11-21
Alekse
i
Iupinov
Fix CUD
A
releas
e
bu
i
l
d
w
ar
n
i
ng
commit
|
commitdiff
|
tree
2017-11-21
Aleksei
I
upinov
Fix pinned memory status
c
hecker tests
commit
|
commitdiff
|
tree
2017-11-18
Alek
s
ei Iupinov
Asy
n
chronous CUDA transfers are asserted to always
.
.
.
commit
|
commitdiff
|
tree
2017-11-17
Al
e
k
s
ei Iupin
o
v
Make gp
u
_utils-test
b
uild w
i
th GMX_CLANG_CUD
A
commit
|
commitdiff
|
tree
2017-11-15
Aleksei Iupinov
Rena
m
e and ex
p
ose "generic" GPU memory transfer fun
c
ti
o
n
s
commit
|
commitdiff
|
tree
2017-11-09
A
leksei Iupinov
Ren
a
m
e sync
h
ron
o
us GPU transfer funct
i
ons to match
.
.
.
commit
|
commitdiff
|
tree
2017-11-02
Alekse
i
Iupinov
Repla
c
e math
.
h by
c
mat
h
includes
in cpp files
commit
|
commitdiff
|
tree
2017-11-01
Al
e
k
s
ei
Iupinov
R
emove unused P
M
E GPU declarations
commit
|
commitdiff
|
tree
2017-11-01
Aleks
e
i Iupinov
Mo
v
e pme_g
p
u_finis
h
_computa
t
io
n
() documentatio
n
to
.
.
.
commit
|
commitdiff
|
tree
2017-11-01
Alek
s
ei
I
u
p
inov
Fix erroneous PME GPU "s
t
ep"
namings
commit
|
commitdiff
|
tree
2017-11-01
Alek
s
ei Iupinov
S
i
m
p
l
ify PME GPU sync
h
ronization c
o
de
commit
|
commitdiff
|
tree
2017-10-31
Aleksei Iup
i
n
ov
Reuse epbcXY logic
commit
|
commitdiff
|
tree
2017-10-30
Aleksei Iupinov
Fix ref
e
r
e
nce mode bu
i
ld unused functio
n
warni
n
gs
commit
|
commitdiff
|
tree
2017-10-30
Aleksei Iupi
n
ov
Brin
g
PME GPU/CUDA internal st
r
uct
u
re names
to CamelCase
commit
|
commitdiff
|
tree
2017-10-30
Al
e
ksei
Iupinov
Use
n
ew/d
e
l
e
t
e fo
r
g
m
x
_pme_t
commit
|
commitdiff
|
tree
2017-10-30
A
l
eks
e
i Iupin
o
v
Simplify PME da
t
a handlin
g
in runner
commit
|
commitdiff
|
tree
2017-10-29
A
l
eksei Iupinov
Ma
k
e PME tuning logic
m
ore read
a
ble
commit
|
commitdiff
|
tree
2017-10-27
Alek
s
ei
Iupinov
Remove unused PME
g
ri
d
dump debug functions
commit
|
commitdiff
|
tree
2017-10-27
A
l
e
k
sei Iupinov
Replace a
f
ew asserts
w
i
th GM
X
_ASSERT's
commit
|
commitdiff
|
tree
2017-10-27
A
leksei Iupin
o
v
Remove defunct P
M
E initializati
o
n e
r
ror code return
commit
|
commitdiff
|
tree
2017-10-24
A
l
ekse
i
I
upinov
Rem
o
v
e
duplicat
e
/outdated function
declaration
commit
|
commitdiff
|
tree
2017-10-24
Aleksei Iupin
o
v
Move commrec duty checking i
n
to simple getters
commit
|
commitdiff
|
tree
2017-10-23
Aleksei Iupinov
Correct
t
h
e
pa
g
e
a
lloca
t
or
d
e
s
criptio
n
commit
|
commitdiff
|
tree
2017-10-22
Aleksei
Iu
p
inov
Change PME GPU gat
h
er re
d
uc
t
ion arg
u
ment from boolea
n
.
.
.
commit
|
commitdiff
|
tree
2017-10-21
Aleksei Iu
p
i
nov
Add c
a
lls to
the PME GPU stages
commit
|
commitdiff
|
tree
2017-10-13
Aleks
e
i Iupin
o
v
Relax PME spline comput
a
tion tolerance
in do
u
ble precisi
o
n
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
Aleks
e
i
Iupinov
Remo
v
e
u
seless ext
e
rn CUDA texture
reference declarations
.
.
.
commit
|
commitdiff
|
tree
2017-10-12
Aleks
e
i
I
u
pinov
Revert "Drop NB_ from G
M
X_CUDA_NB_SINGLE
_
COMPI
L
ATION_
U
NIT
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Al
e
ksei Iu
p
inov
Fix clang war
n
ings for PME C
U
DA k
e
rne
l
s
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
Re
l
ax PME solvin
g
test
complex grid
tolerance
commit
|
commitdiff
|
tree
2017-10-11
Alekse
i
Iupinov
C
UDA 9
/
Volta
support for
P
ME
commit
|
commitdiff
|
tree
2017-10-11
Aleks
e
i
Iupinov
P
M
E solving - CUDA kernel + unit tests
commit
|
commitdiff
|
tree
2017-10-11
Al
e
ks
e
i
I
up
i
nov
PM
E
for
c
e gathering - C
U
DA kern
e
l
+
unit t
e
st
s
commit
|
commitdiff
|
tree
2017-10-11
Alekse
i
Iupinov
Drop
N
B
_ from GMX_CUDA_
N
B_SINGLE_COMPILATI
O
N
_
UNIT c
m
ake
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Aleksei I
u
pi
n
o
v
P
M
E
sp
l
ine+spr
e
ad C
U
D
A kernel and
u
nit tests
commit
|
commitdiff
|
tree
2017-10-09
A
l
eksei
I
upinov
Remove some
unnecess
a
ry includes from
P
ME
commit
|
commitdiff
|
tree
2017-10-09
Aleksei
Iupinov
PME GPU/CUDA data framework
.
commit
|
commitdiff
|
tree
2017-10-06
Alek
s
ei Iupinov
Add timi
n
g a
c
cumu
l
a
t
ion capability
i
nto Gp
u
RegionTimer
commit
|
commitdiff
|
tree
2017-10-04
Aleksei Iupin
o
v
Remove G
P
U
t
iming funct
i
ons supersed
e
d
by GpuRegionTi
m
er
commit
|
commitdiff
|
tree
2017-10-04
Aleksei Iupin
o
v
Add GpuRegionT
i
me
r
cla
s
s
commit
|
commitdiff
|
tree
2017-10-03
A
l
e
k
sei Iupino
v
B
ring CUDA text
u
r
e
g
ett
e
rs docume
n
tation up-to-dat
e
commit
|
commitdiff
|
tree
2017-10-03
Ale
k
sei
Iupinov
T
e
m
plate/move CUDA texture clean
u
p code from NB CUDA
.
.
.
commit
|
commitdiff
|
tree
2017-10-03
Aleksei Iupinov
Add
W
inAPI page s
i
z
e
query f
o
r alloca
t
or p
u
r
p
oses
commit
|
commitdiff
|
tree
2017-09-26
Al
e
ksei
I
upinov
Mo
v
e CUDA
te
x
ture setup code f
r
o
m
NB
CUDA
m
o
dule to
.
.
.
commit
|
commitdiff
|
tree
2017-09-22
Aleksei
I
u
p
inov
Tem
p
late the CUDA texture setup code on raw v
a
lue
type T
commit
|
commitdiff
|
tree
2017-09-21
A
l
eksei Iupinov
Eliminate
u
nused
C
oulo
m
b correction table size coulomb
_
ta
b
_size
commit
|
commitdiff
|
tree
2017-09-21
Aleksei Iupi
n
ov
Eliminate duplica
t
e
CUD
A
tex
t
ure setup
c
ode
commit
|
commitdiff
|
tree
2017-09-18
A
l
eksei
I
upin
o
v
Skip GPU rea
l
locat
i
on of an empt
y
non-local p
a
irl
i
st
commit
|
commitdiff
|
tree
2017-09-14
Aleksei
I
upinov
Fix n
o
n
-
SIMD b
u
ild failin
g
commit
|
commitdiff
|
tree
2017-09-12
Aleksei
I
upinov
Prevent reference XML
r
e
a
d
er s
e
gfault on nul
l
pt
r
e
r
ror
.
.
.
commit
|
commitdiff
|
tree
2017-09-04
Aleks
e
i I
u
pinov
Merge "Merge bran
c
h
rele
a
se-5-1
i
n
to
release
-
2016"
.
.
.
commit
|
commitdiff
|
tree
2017-08-31
Aleksei Iupinov
Bri
n
g back spa
c
e lost
i
n commit e43e83bf
commit
|
commitdiff
|
tree
2017-08-29
Aleks
e
i Iupinov
R
e
move leftover
function d
e
c
laration
commit
|
commitdiff
|
tree
2017-08-29
A
le
k
sei Iupinov
Fix typo
commit
|
commitdiff
|
tree
2017-08-29
Aleksei Iupino
v
Allow passin
g
op
t
i
o
nal width argument into CUDA shu
f
fle
.
.
.
commit
|
commitdiff
|
tree
2017-08-29
A
l
ek
s
e
i
Iupin
o
v
A
d
just PME LJ
s
olver te
s
t
i
n
put coefficient
commit
|
commitdiff
|
tree
2017-08-22
Aleksei Iupinov
S
eparate PME s
p
read
a
nd
g
ather
w
allcyc
l
e
c
ounters
commit
|
commitdiff
|
tree
2017-08-21
Alekse
i
Iupinov
P
M
E
s
olving t
e
st
s
commit
|
commitdiff
|
tree
2017-08-17
Aleksei Iupinov
Merge "Merge branch rele
a
s
e
-
5-1 into re
l
e
a
se-2016"
.
.
.
commit
|
commitdiff
|
tree
2017-06-30
Aleksei Iupi
n
ov
Remove out
d
ated cmake nvcc logic
commit
|
commitdiff
|
tree
2017-06-12
Aleksei
I
u
pinov
St
o
re
a physical nod
e
commu
n
icator in t_commrec
commit
|
commitdiff
|
tree
2017-03-17
A
l
eksei Iupinov
Fix d
e
r
e
ferencing n
u
llptr in PME solve work destruct
o
r
commit
|
commitdiff
|
tree
2017-03-03
Aleksei Iupi
n
o
v
R
e
move outdated CUDA version check
commit
|
commitdiff
|
tree
2017-02-21
Al
e
ks
e
i
Iupinov
Remove u
n
used function
cu_synchstream_atdat(
)
commit
|
commitdiff
|
tree
2017-02-09
A
l
ek
s
ei Iupi
n
ov
Add initia
l
ization to
d
vdlambda in bonded forces tests
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupinov
F
i
x t
y
po (Dihedar
l
-> D
i
he
d
ral
)
commit
|
commitdiff
|
tree
2017-02-08
A
leksei I
u
pinov
P
ME force gathering
t
e
s
ts
commit
|
commitdiff
|
tree
2017-02-08
A
leksei Iupino
v
Fix invalid tricli
n
i
c
box in the PME test data
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
PME spline co
m
putation and
charge spreading
test
s
commit
|
commitdiff
|
tree
2017-01-24
Alek
s
ei Iupinov
A
d
d const qualifier to some PME spre
a
d arguments
commit
|
commitdiff
|
tree
2017-01-19
A
leksei
Iupino
v
S
i
m
plify gmx
_
c
o
u
nt_
g
pu_dev
_
u
nique()
commit
|
commitdiff
|
tree
2017-01-19
Aleksei Iupinov
P
M
E
B-Spline m
o
duli
c
omputation u
n
it test
commit
|
commitdiff
|
tree
2017-01-05
Aleksei Iupinov
Fix compil
a
tion
with CMAKE_CXX_FLA
G
S="-Wall -Wer
r
o
r
"
commit
|
commitdiff
|
tree
2016-12-22
Aleksei Iu
p
inov
Remove unus
e
d
m
e
m
ber
t
hread_one fro
m
the PME spl
i
ne
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Aleksei Iup
i
nov
St
o
p including p
a
ral
l
el_3dfft
.
h in headers
commit
|
commitdiff
|
tree
2016-12-01
Alekse
i
Iupinov
M
ove GPU assignment functions into a
s
e
parate file
commit
|
commitdiff
|
tree
2016-11-21
A
leksei Iupinov
Move hardco
d
ed PME grid indexing
c
onstants into he
a
der
commit
|
commitdiff
|
tree
2016-11-01
Aleksei Iupinov
Remove imatr
i
x
t
ype
and related unused/
e
rroneous cod
e
commit
|
commitdiff
|
tree
2016-10-24
Alekse
i
Iupinov
T
r
eat CUDA files as C++ during cppcheck
commit
|
commitdiff
|
tree
2016-10-10
Alek
s
ei Iupinov
Fix trivial PME memory leaks
commit
|
commitdiff
|
tree
2016-09-15
Aleksei I
u
pinov
Move the PME Ewald coefficie
n
ts to the PM
E
structure
commit
|
commitdiff
|
tree
2016-09-10
Aleksei I
u
pin
o
v
Fix PME da
t
a
d
e
structor not b
e
ing calle
d
commit
|
commitdiff
|
tree