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Update instructions in containers.rst
2020-12-11
Andr
e
y
A
le
k
seen
k
o
Update instru
c
tions in contai
n
ers
.
rst
commit
|
commitdiff
|
tree
2020-11-11
Andrey Alekse
e
nko
Make
eelType a
n
d evdwType
s
cope
d
e
n
ums, + cleanup
commit
|
commitdiff
|
tree
2020-11-10
Andrey
A
l
e
k
seenko
Fix "GMX_CU
D
A|OCL_NB_EWALD_TWIN
C
UT is disabling twi
n
.
.
.
commit
|
commitdiff
|
tree
2020-11-09
An
d
rey Aleksee
n
ko
Add SYCL implementation of LeapFro
g
Gpu
commit
|
commitdiff
|
tree
2020-11-09
A
n
drey A
l
ekseenko
Fix int
e
mittent Mdru
n
IOTests
se
g
fau
l
t
commit
|
commitdiff
|
tree
2020-11-06
A
n
drey Alek
s
eenko
Su
g
gest environ
m
ent v
a
riable
to limit visi
b
le SYCL
.
.
.
commit
|
commitdiff
|
tree
2020-11-05
Andrey Alekseenko
S
l
ightly refact
o
r
Am
d
Z
en1 d
e
t
e
ctio
n
code
commit
|
commitdiff
|
tree
2020-11-02
Andrey Al
e
kseenk
o
Rework
h
a
ndling of PATH-
l
ike varia
b
les in GMXRC
.
bash/zsh
commit
|
commitdiff
|
tree
2020-10-30
Andrey Alekseenko
Rework
handling o
f
P
A
TH-like va
r
iables in
G
MX
R
C
.
bash
/
zsh
commit
|
commitdiff
|
tree
2020-10-29
Andrey Al
e
k
s
eenko
Nar
r
ow-d
o
w
n Intel-specif
i
c
#ifdef's
commit
|
commitdiff
|
tree
2020-10-28
Andrey Ale
k
seenko
Mak
e
dispatchTe
m
pla
t
edFunction
compatibl
e
with
M
SVC
commit
|
commitdiff
|
tree
2020-10-28
An
d
rey A
l
ekseenko
Add dispatchTempla
t
edFuncti
o
n
commit
|
commitdiff
|
tree
2020-10-22
A
n
drey Alekseenko
TrajectoryElem
e
nt: initialize and re
n
am
e
l
o
gWriti
n
gStep_
commit
|
commitdiff
|
tree
2020-10-21
Andrey Ale
k
s
eenko
Revert "densi
t
yfit: Fix inconsisten
t
use
o
f iterators"
commit
|
commitdiff
|
tree
2020-10-21
Andrey Al
e
kseenko
d
ensityfit: Fix inc
o
n
s
istent u
s
e o
f
iterato
r
s
commit
|
commitdiff
|
tree
2020-10-19
Andrey
A
lek
s
eenko
Fix random dox
y
gen warnings an
d
typos
commit
|
commitdiff
|
tree
2020-10-15
Andrey Alekseen
k
o
Increase to
l
e
rances f
o
r NBlibTe
s
t
.
S
pcM
e
thano
l
F
o
rcesAreCorrec
.
.
.
commit
|
commitdiff
|
tree
2020-10-14
Andrey Aleksee
n
ko
Add static cons
t
expr
members to namin
g
style guide
commit
|
commitdiff
|
tree
2020-10-14
An
d
rey Al
e
kse
e
n
k
o
Rev
e
rt "CUDA n
i
ghtly fail: Dirty hack"
commit
|
commitdiff
|
tree
2020-10-09
A
ndrey Alekseenko
api/nblib/tests/integrat
o
r
.
c
pp: Mino
r
change
s
commit
|
commitdiff
|
tree
2020-10-09
Andrey Al
e
kse
e
nko
Try to fix the nightly clang-tid
y
-9 build
commit
|
commitdiff
|
tree
2020-10-08
Andrey Aleks
e
en
k
o
NBlibTest/IntegratorWorks:
I
nitialize x's a
n
d v's
commit
|
commitdiff
|
tree
2020-10-08
A
n
dr
e
y Ale
k
seenko
Add e
x
pl
i
cit
t
ypes to N
B
k
e
rnel
t
y
pe enums
commit
|
commitdiff
|
tree
2020-10-08
Andrey Alekseenko
Set
C
U
D
A
hardware constants for CC 7
.
5,
8
.
6
commit
|
commitdiff
|
tree
2020-10-08
Andr
e
y A
l
ek
s
e
enko
Devi
c
e man
a
g
e
m
ent: Add SYCL GpuE
v
entSynchronizer
commit
|
commitdiff
|
tree
2020-10-08
Andrey Alekseenko
Activat
e
SYCL b
u
il
d
on
C
I
commit
|
commitdiff
|
tree
2020-10-07
Andrey Alekseenko
Add Gpu
R
e
g
ionTimer for
SYCL
commit
|
commitdiff
|
tree
2020-10-07
An
d
rey Alekseenk
o
Ma
k
e
L
eapFrogGpu less
t
ied
to CUDA
commit
|
commitdiff
|
tree
2020-10-07
An
d
rey Alekse
e
nko
mdlib/t
e
st
s
/
l
eapfrog: Make GPU tests mor
e
platf
o
rm
.
.
.
commit
|
commitdiff
|
tree
2020-10-06
A
n
drey Alekseenko
F
ix logic
i
n
init_ewa
l
d
_coulomb_force_table
commit
|
commitdiff
|
tree
2020-10-01
An
d
rey Alekse
e
n
k
o
Remo
v
e ensureRefere
n
ceCoun
t
from OpenCL's G
p
uE
v
entSynchronizer
commit
|
commitdiff
|
tree
2020-10-01
Andrey A
l
ekse
e
nko
Dev
i
ce
m
anagement: Add SYC
L
De
v
iceBuffer
commit
|
commitdiff
|
tree
2020-09-30
Andrey Al
e
k
s
eenko
S
quash SYC
L
D
e
v
i
ceContext and D
e
viceStream
commit
|
commitdiff
|
tree
2020-09-30
An
d
rey Alekseenk
o
Fix Doxygen
f
ormula
generatio
n
commit
|
commitdiff
|
tree
2020-09-28
Andrey Alekseenko
Fi
x
e
rr
o
r in ensure
R
efer
e
nceCo
u
n
t
commit
|
commitdiff
|
tree
2020-09-25
Andre
y
A
lekseenko
Fix
#
3668
commit
|
commitdiff
|
tree
2020-09-23
Andrey
A
lekseen
k
o
Fix
fals
e
-positives
in checkDeviceBuffer for OpenCL
commit
|
commitdiff
|
tree
2020-09-22
Andrey Alekseenk
o
Draft: Fix compilation
commit
|
commitdiff
|
tree
2020-09-20
Andrey Alekse
e
nko
Add NVIDIA GPU c
o
mpatibility check, following issu
e
.
.
.
commit
|
commitdiff
|
tree
2020-09-08
Andrey
A
le
k
s
eenko
Fix clang-tidy war
n
ing
commit
|
commitdiff
|
tree
2020-09-08
Andrey Alek
s
eenko
Fix "G
P
U d
e
t
e
ct
i
o
n
deactivated" message whe
n
it
i
n
.
.
.
commit
|
commitdiff
|
tree