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Update instructions in containers.rst
2020-12-04
Mark Abraham
Fix mdr
u
n-onl
y
bui
l
d
commit
|
commitdiff
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tree
2020-11-10
Mark Abraham
Add mo
v
e ope
r
ations to GpuHalo
E
xchange
commit
|
commitdiff
|
tree
2020-11-05
Ma
r
k
A
braham
S
t
op sh
o
wing wrong README
o
n GitHub front page
commit
|
commitdiff
|
tree
2020-11-05
M
a
rk Abraham
Im
p
rove
i
ssues with CUD
A
i
n
tera
c
tin
g
wi
t
h std flags
commit
|
commitdiff
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tree
2020-11-04
Mark Abraham
F
i
x use of co
n
fig
.
h
in
halo
e
x
change tests
commit
|
commitdiff
|
tree
2020-11-04
Mark Abraham
Rem
o
v
e
logging from hardware detection
commit
|
commitdiff
|
tree
2020-10-23
M
a
r
k Abraham
Me
r
g
e branch release-2021
commit
|
commitdiff
|
tree
2020-10-22
Mark Abraham
Compile host code with c++14
w
here needed
commit
|
commitdiff
|
tree
2020-10-22
Mark
A
braham
S
u
ppress
w
arni
n
g
s
from clang with nvcc mo
r
e
widely
commit
|
commitdiff
|
tree
2020-10-21
Mark Abraham
Fix C++ l
a
nguage f
l
ag pro
p
aga
t
ion to
n
vcc
commit
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commitdiff
|
tree
2020-10-16
Mark Abraham
Fixes for clang 11
commit
|
commitdiff
|
tree
2020-10-14
Mark Abraham
Fix compilation wit
h
MSVC
commit
|
commitdiff
|
tree
2020-10-14
Mark
A
br
a
ham
Fix st
r
ing inter
p
olation
e
rror
commit
|
commitdiff
|
tree
2020-10-14
Mark Abra
h
am
Fix
b
o
n
ded tes
t
s
commit
|
commitdiff
|
tree
2020-10-07
Mark Abra
h
am
U
p
d
a
te to oneA
P
I beta
0
9
commit
|
commitdiff
|
tree
2020-10-02
Mar
k
Abr
a
ham
Cleaned up CUD
A
compil
a
tion
commit
|
commitdiff
|
tree
2020-10-02
Mark
Abraham
Update GoogleTest t
o
v
1
.
8
.
1
commit
|
commitdiff
|
tree
2020-09-30
Mar
k
Abraham
Fix warn
i
n
gs iss
u
ed b
y
clang with
n
v
cc
commit
|
commitdiff
|
tree
2020-09-28
Mark Abraha
m
Fix ch
e
ck for
BitS
c
anReverse64
commit
|
commitdiff
|
tree
2020-09-25
Mark Abr
a
ham
Ensure the modula
r
s
imu
l
ator
r
uns only
whe
n
it
s
hould
commit
|
commitdiff
|
tree
2020-09-23
Mark Abraham
R
e
port name
o
f mi
s
s
i
ng O
p
e
nCL kern
e
ls
commit
|
commitdiff
|
tree
2020-09-23
Mark Abrah
a
m
Permit comparison
o
f only
f
irst frames
commit
|
commitdiff
|
tree
2020-09-22
M
a
r
k
Abraham
Split mdrun-
t
e
s
t
commit
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commitdiff
|
tree
2020-09-21
Mark Abraham
Wrong logic was us
e
d
commit
|
commitdiff
|
tree
2020-09-16
Mark Abraham
Activate AMD OpenCL
b
ui
l
d in r
e
l
ease matr
i
x
commit
|
commitdiff
|
tree
2020-09-12
M
a
rk Abraham
F
i
x
G
PU
device info broadca
s
t
wi
t
h MPI
commit
|
commitdiff
|
tree
2020-08-26
Ma
r
k Abr
a
ham
Permi
t
b
u
ild with CU
D
A
11
.
0
commit
|
commitdiff
|
tree
2020-08-17
Mark
Abraham
Al
l
ow simpler use of s
c
ripted container builds
commit
|
commitdiff
|
tree
2020-08-17
Mark Abraha
m
Restore use of
C
U
DA 11
.
0 in
C
I
commit
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commitdiff
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tree
2020-08-17
Mark Abr
a
ham
Buil
d
fewer unnecessary
SIMD ker
n
els in
C
I
commit
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commitdiff
|
tree
2020-08-17
Mark Abraham
S
u
p
port one
A
PI i
n
git
l
ab CI
commit
|
commitdiff
|
tree
2020-08-17
Ma
r
k Abraham
S
t
o
p
ped
using ima
g
es in biophys
i
cs Docker
r
epository
commit
|
commitdiff
|
tree
2020-08-17
Mark
Abraham
Avoid
b
uilds with R
e
l
WithDe
b
Info
commit
|
commitdiff
|
tree
2020-08-17
M
a
r
k
Abraham
Fi
x
isHostM
e
m
o
ryPinned for c
h
anges
in CU
D
A 1
1
.
0
commit
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commitdiff
|
tree
2020-08-12
Mark Abraham
R
e
vert to CUDA 10
i
mage for
CI
commit
|
commitdiff
|
tree
2020-08-08
Mark Abraham
Fix
t
ypo in docs
commit
|
commitdiff
|
tree
2020-08-07
Mark
A
b
r
a
h
am
Fix release
b
uild war
n
ing
commit
|
commitdiff
|
tree
2020-08-06
Mark Abr
a
ham
Keep all the i
n
f
ra a
n
d the user happy
commit
|
commitdiff
|
tree
2020-08-06
Mark A
b
ra
h
am
U
pdate minimum te
s
ted CUD
A
t
o
11
.
0
commit
|
commitdiff
|
tree
2020-07-31
Mark A
b
raham
Mov
e
co
d
e
to prepare f
o
r mult
i
sim class
commit
|
commitdiff
|
tree
2020-07-31
Mark Abr
a
ha
m
Release configs were using a wrong build
t
y
p
e
commit
|
commitdiff
|
tree
2020-07-31
M
a
rk Abraham
R
e
lease confi
g
s we
r
e
using a wro
n
g build type
commit
|
commitdiff
|
tree
2020-07-27
Mark Ab
r
aham
Fix warni
n
gs i
n
release b
u
ilds
commit
|
commitdiff
|
tree
2020-07-27
Mark
A
b
r
aham
Fix RDTSCP handling
commit
|
commitdiff
|
tree
2020-07-15
Mark
Abra
h
am
Divide defaul
t
c
o
mmunic
a
t
o
r from DD communicators
commit
|
commitdiff
|
tree
2020-07-08
Mar
k
Abraham
Fix issues foun
d
with clang-tidy
commit
|
commitdiff
|
tree
2020-06-25
Mark
A
braham
R
estored the comment
commit
|
commitdiff
|
tree
2020-06-23
Mark Abra
h
am
WIP: Finish removing c
o
mpile_cpp_
a
s_
c
uda
commit
|
commitdiff
|
tree
2020-06-01
Mar
k
Abraha
m
F
i
x atomics configur
e
test
commit
|
commitdiff
|
tree
2020-05-29
Mark Abraham
Make Cygwin build work
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraha
m
Rem
o
ve bun
d
led Fi
n
dCUDA
.
cmake
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Fix compiler
flag reporting
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraha
m
Update cm
a
ke versio
n
for
docs co
n
tainer
commit
|
commitdiff
|
tree
2020-04-29
Ma
r
k Abraham
Baseline com
m
it
commit
|
commitdiff
|
tree
2020-04-29
M
ark
A
b
r
a
h
am
Fix
e
d se
v
era
l
clang-tidy
issue
s
commit
|
commitdiff
|
tree
2020-04-27
Mark Abra
h
am
Imp
r
oved
s
ome
l
ogi
c
i
n
d
o_
f
orce
commit
|
commitdiff
|
tree
2020-04-25
Mark Abraham
Move
c
o
n
f
iguration of globa
l
h
eaders
commit
|
commitdiff
|
tree
2020-04-23
Ma
r
k Abra
h
a
m
Ma
r
k HWLOC cmake cache
variable
a
s advanced
commit
|
commitdiff
|
tree
2020-04-23
Mark Abraham
Fix wa
r
nings for no-mpi build
commit
|
commitdiff
|
tree
2020-04-21
Mark
A
b
raham
Fix warnings
with
c
la
n
g 9
commit
|
commitdiff
|
tree
2020-04-16
Mark Abraham
Intro
d
u
ce GM
X
_USE_SIMD
_
KER
N
ELS
c
make optio
n
commit
|
commitdiff
|
tree
2020-04-14
Mark Abra
h
am
Fix more cl
a
n
g
w
arnings
commit
|
commitdiff
|
tree
2020-04-13
Mark Abraham
F
ix warnings for no-
m
pi bu
i
ld
commit
|
commitdiff
|
tree
2020-04-12
M
ark Abraha
m
Removed unused variable in force table
gene
r
ation
commit
|
commitdiff
|
tree
2020-04-12
Mark
Abraham
Finish removing ENCAD
sh
i
f
t
s
a
n
d
table gen
e
rati
o
n
commit
|
commitdiff
|
tree
2020-04-12
Mark
A
braham
Update to clang-t
i
dy-9
commit
|
commitdiff
|
tree
2020-04-08
M
a
rk Abraham
Fixes for c
l
ang-ti
d
y
-9
commit
|
commitdiff
|
tree
2020-04-07
Mark Abraham
Replace Enum
O
ption with Enumerati
o
n
A
rrayOption
commit
|
commitdiff
|
tree
2020-04-01
Mark A
b
raham
Fix minor bug wit
h
too
l
s time-u
n
it conver
s
ions
commit
|
commitdiff
|
tree
2020-03-30
Mark A
b
raham
Set
b
uffe
r
s appropriately so
.
xpm fi
l
es
c
an be read
.
commit
|
commitdiff
|
tree
2020-03-18
Mark Abr
a
ham
Fix
u
n
use
d
va
r
i
a
b
le in PME OpenC
L
ke
r
n
el
commit
|
commitdiff
|
tree
2020-03-18
Mark Abraham
Simplify
PME GPU con
s
tants
commit
|
commitdiff
|
tree
2020-03-14
Mark Abr
a
ham
Move testing code to test dir
e
ctory
commit
|
commitdiff
|
tree
2020-03-13
M
a
r
k Abraham
Re
q
uire
padded
a
tom data for
P
ME GPU
commit
|
commitdiff
|
tree
2020-03-09
Mark A
b
raham
C
o
n
s
olidate PME GPU spline infra
s
tructure
commit
|
commitdiff
|
tree
2020-03-06
Mark
Abraham
S
implify compiling GPU code fo
r
tests
commit
|
commitdiff
|
tree
2020-03-05
Mark Abraham
Simp
l
i
f
y
P
ME step workl
o
ad mana
g
ement
commit
|
commitdiff
|
tree
2020-03-04
M
a
rk A
b
raham
Improve TPI handling
commit
|
commitdiff
|
tree
2020-02-23
Mark Abraham
Removed un
u
sed PME gathe
r
functionali
t
y
commit
|
commitdiff
|
tree
2020-02-18
Mark Abraham
Added m
o
r
e
docs and tests to Enumeratio
n
A
rr
a
y
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Up
d
ate some nbnxm kernel
c
o
n
st
a
nts to co
n
stexpr
commit
|
commitdiff
|
tree
2020-01-27
Mark Abrah
a
m
Remove element-size member fields
commit
|
commitdiff
|
tree
2020-01-27
M
a
rk Abraha
m
Make Nbnxn
G
p
u class with c
o
nstructor
commit
|
commitdiff
|
tree
2020-01-17
Mark Abr
a
ham
Regu
l
arize nbnxm modul
e
do
x
ygen
commit
|
commitdiff
|
tree
2020-01-16
Mark
A
braha
m
Make nbnxm headers more self-contained
commit
|
commitdiff
|
tree
2020-01-09
M
a
r
k A
b
raham
Clean up ewald module inter
n
als
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Split lines wit
h
many co
p
yri
g
ht years
commit
|
commitdiff
|
tree
2019-12-31
Mark Abraham
Avo
i
d 386 O3 codegen bug eve
n
more
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Tests that
v
e
rify ser
i
a
lizer
b
eh
a
viour
s
commit
|
commitdiff
|
tree
2019-12-30
Mark
A
braha
m
Remove use of tuple in LINCS code for GPU im
p
lementa
t
ion
commit
|
commitdiff
|
tree
2019-12-28
Mark A
b
raham
Remove GM
X
_CY
C
LECOUNT
E
RS
commit
|
commitdiff
|
tree
2019-12-28
Ma
r
k Abraham
Merge "Merge
or
i
gin/re
l
ease-
2
019 into release-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Ma
r
k Abr
a
h
a
m
Re
m
o
v
e support for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
Mark Abr
a
h
a
m
S
t
op t
e
st
i
ng ARMv
7
commit
|
commitdiff
|
tree
2019-12-17
Mark Abraham
Fix tha
t
tests intended
f
or multiple ranks run that way
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraham
Simpl
i
fy gmxapi RPATH h
a
ndling
commit
|
commitdiff
|
tree
2019-12-12
Mark A
b
raham
M
e
rge "Merge
b
r
anch 'o
r
i
g
in/release-20
2
0
' into master"
commit
|
commitdiff
|
tree
2019-12-11
Mark
A
braham
Do
c
ument DOMAINDECOMP(cr) cor
r
ectly
commit
|
commitdiff
|
tree
2019-12-10
Mark A
b
r
aham
Simpl
i
fy gmxapi RP
A
TH
handling
commit
|
commitdiff
|
tree
2019-12-06
Ma
r
k Abraham
A
void 386 O3
c
o
d
ege
n
bug
commit
|
commitdiff
|
tree
next