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Update instructions in containers.rst
2020-12-11
Andrey
A
l
ekseenko
Up
d
a
t
e
instructions in containers
.
r
st
commit
|
commitdiff
|
tree
2020-11-11
Andrey Alekseen
k
o
Make eelType and evd
w
T
ype sc
o
ped enu
m
s, + cleanup
commit
|
commitdiff
|
tree
2020-11-10
Andr
e
y A
l
ekseenko
Fix "GMX_C
U
DA|OCL_
N
B_EWA
L
D_TWINCUT is disabling twin
.
.
.
commit
|
commitdiff
|
tree
2020-11-09
Andre
y
Alekseenko
Add SYCL
implementation of
LeapFrog
G
pu
commit
|
commitdiff
|
tree
2020-11-09
A
n
drey Alekse
e
nko
Fix inte
m
itten
t
M
drunIOTests segfaul
t
commit
|
commitdiff
|
tree
2020-11-06
Andrey
Al
e
kseenko
Suggest
e
nvironme
n
t variable to limit visi
b
le SYCL
.
.
.
commit
|
commitdiff
|
tree
2020-11-05
A
n
drey
Alekse
e
n
k
o
Slightly refa
c
tor A
m
dZen1 detection code
commit
|
commitdiff
|
tree
2020-11-02
An
d
rey Aleksee
n
ko
Rework handling of PATH-l
i
ke
v
a
r
iables in GM
X
R
C
.
bash/zsh
commit
|
commitdiff
|
tree
2020-10-30
An
d
rey Alekseen
k
o
Rewo
r
k
h
andling of PATH-lik
e
variables in GMXRC
.
bash/zsh
commit
|
commitdiff
|
tree
2020-10-29
Andrey
Alekseenko
Narrow-down Intel-sp
e
cif
i
c
#
ifdef's
commit
|
commitdiff
|
tree
2020-10-28
Andrey Alekseenko
Make dispatchTemplatedFunction co
m
patib
l
e with
M
S
V
C
commit
|
commitdiff
|
tree
2020-10-28
Andrey Alek
s
e
enk
o
A
d
d
d
i
sp
a
tchTem
p
latedFunction
commit
|
commitdiff
|
tree
2020-10-22
Andrey Alekseenko
Trajector
y
Elem
e
nt: init
i
alize and renam
e
logWrit
i
ngStep_
commit
|
commitdiff
|
tree
2020-10-21
A
n
dre
y
Ale
k
see
n
ko
R
e
vert "densityfit: Fix
inconsi
s
tent use of
it
e
rator
s
"
commit
|
commitdiff
|
tree
2020-10-21
And
r
ey Alekseenko
densityfit: Fix incons
i
sten
t
us
e
of
iterators
commit
|
commitdiff
|
tree
2020-10-19
A
ndrey
Aleksee
n
ko
Fix random doxygen warnings and typ
o
s
commit
|
commitdiff
|
tree
2020-10-15
Andre
y
Alekseenko
In
c
re
a
se toler
a
nces
for NBlibTest
.
SpcMethanolFo
r
cesAreCor
r
ec
.
.
.
commit
|
commitdiff
|
tree
2020-10-14
A
ndrey A
l
ekseenko
Add static c
o
ns
t
expr members to na
m
i
ng sty
l
e guide
commit
|
commitdiff
|
tree
2020-10-14
Andrey Alekseenko
Revert "CUD
A
nightly fai
l
:
D
irty hack"
commit
|
commitdiff
|
tree
2020-10-09
An
d
rey Alekse
e
nko
a
pi
/
nblib/tes
t
s/integra
t
or
.
cpp: Minor
chan
g
es
commit
|
commitdiff
|
tree
2020-10-09
Andrey Ale
k
seenko
Tr
y
to
fi
x
the nig
h
tly
clang-ti
d
y-9 build
commit
|
commitdiff
|
tree
2020-10-08
Andrey Al
e
ks
e
enko
NBlibTest/In
t
e
g
rator
W
orks:
Initiali
z
e x's a
n
d v's
commit
|
commitdiff
|
tree
2020-10-08
Andrey Alek
s
e
e
nko
A
dd
exp
l
icit type
s
to NB k
e
rnel type enums
commit
|
commitdiff
|
tree
2020-10-08
Andrey
Al
e
kseenko
Set CUDA hardware cons
t
an
t
s for CC 7
.
5, 8
.
6
commit
|
commitdiff
|
tree
2020-10-08
Andrey Alek
s
eenko
D
evice
ma
n
agement: Add SYCL GpuEventSynchro
n
i
z
er
commit
|
commitdiff
|
tree
2020-10-08
Andrey Alekseenko
A
c
t
ivate SYC
L
build on
CI
commit
|
commitdiff
|
tree
2020-10-07
A
n
drey
Alekseenko
Add GpuRegionTim
e
r
f
o
r S
Y
CL
commit
|
commitdiff
|
tree
2020-10-07
Andrey Aleksee
n
ko
Make LeapFrogGpu le
s
s t
i
ed
t
o
CUDA
commit
|
commitdiff
|
tree
2020-10-07
Andrey Alek
s
eenko
mdlib/t
e
sts/leapfrog: Make
GPU tests more platform
.
.
.
commit
|
commitdiff
|
tree
2020-10-06
An
d
rey Ale
k
seen
k
o
Fix logic in init_ewald_c
o
ulomb_force
_
table
commit
|
commitdiff
|
tree
2020-10-01
A
n
drey Al
e
kseenko
Rem
o
ve en
s
ureReferenceCount from
OpenC
L
'
s
G
puEventSynchron
i
zer
commit
|
commitdiff
|
tree
2020-10-01
Andrey Alekseenko
De
v
ice management: Add
SYCL D
e
v
iceB
u
f
f
e
r
commit
|
commitdiff
|
tree
2020-09-30
Andre
y
Aleksee
n
ko
S
quash SYCL
D
e
viceCont
e
xt
and DeviceStream
commit
|
commitdiff
|
tree
2020-09-30
Andre
y
A
l
e
k
seenko
Fix Doxyg
e
n f
o
rmula
g
e
neration
commit
|
commitdiff
|
tree
2020-09-28
Andrey Alekse
e
nko
Fix error in
ensureReferenceC
o
un
t
commit
|
commitdiff
|
tree
2020-09-25
Andrey Alekseen
k
o
F
i
x
#
3
6
68
commit
|
commitdiff
|
tree
2020-09-23
Andr
e
y Alekseenko
Fix fa
l
s
e
-
posi
t
iv
e
s in checkDev
i
ceBuffe
r
fo
r
OpenCL
commit
|
commitdiff
|
tree
2020-09-22
Andrey Alekseenko
D
raft: Fix co
m
p
i
lation
commit
|
commitdiff
|
tree
2020-09-20
A
n
drey Aleks
e
enko
A
d
d NVIDIA GPU comp
a
tibility check,
f
ol
l
owi
n
g issue
.
.
.
commit
|
commitdiff
|
tree
2020-09-08
Andrey Alekseenk
o
Fix clang-ti
d
y warning
commit
|
commitdiff
|
tree
2020-09-08
An
d
rey
Al
e
kseenk
o
Fix "GPU
dete
c
ti
o
n deactiv
a
ted" me
s
sage whe
n
it in
.
.
.
commit
|
commitdiff
|
tree