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Fix use of config.h in halo exchange tests
2020-11-04
Mark Abr
a
ham
Fix use
o
f config
.
h in halo e
x
ch
a
n
g
e tests
commit
|
commitdiff
|
tree
2020-11-04
Mar
k
Abraham
R
emove logg
i
ng from hardware detection
commit
|
commitdiff
|
tree
2020-10-22
Mar
k
Abraha
m
C
o
m
p
ile hos
t
c
ode with c++1
4
whe
r
e
needed
commit
|
commitdiff
|
tree
2020-10-22
Mark Abraha
m
Suppress warnings f
r
om
clang with
nvcc more
w
i
dely
commit
|
commitdiff
|
tree
2020-10-21
Mar
k
Ab
r
aham
Fix C++ language f
l
a
g pro
p
agation to nvc
c
commit
|
commitdiff
|
tree
2020-10-16
Mark Abr
a
ham
F
i
x
e
s
f
o
r c
l
ang 11
commit
|
commitdiff
|
tree
2020-10-14
Mark Abraham
Fix c
o
mpilation wit
h
MSVC
commit
|
commitdiff
|
tree
2020-10-14
Mark
A
b
ra
h
am
Fix str
i
ng interpolation error
commit
|
commitdiff
|
tree
2020-10-14
Mark Abrah
a
m
Fix b
o
nd
e
d tests
commit
|
commitdiff
|
tree
2020-10-07
Mark Abraham
Update t
o
oneAPI beta09
commit
|
commitdiff
|
tree
2020-10-02
Mark
A
b
raham
C
l
eane
d
u
p
C
U
D
A
compil
a
t
ion
commit
|
commitdiff
|
tree
2020-10-02
M
ark
A
brah
a
m
Update GoogleTest to
v
1
.
8
.
1
commit
|
commitdiff
|
tree
2020-09-30
Mark Abr
a
ham
Fix wa
r
nin
g
s issue
d
by clan
g
with nvcc
commit
|
commitdiff
|
tree
2020-09-28
Mark
Abr
a
h
am
Fix c
h
eck fo
r
Bit
S
c
a
n
Reverse
6
4
commit
|
commitdiff
|
tree
2020-09-25
Mark Abraham
Ensure the modular simulator run
s
only when it s
h
ould
commit
|
commitdiff
|
tree
2020-09-23
Ma
r
k Abraham
Report nam
e
of missing OpenCL kern
e
ls
commit
|
commitdiff
|
tree
2020-09-23
Mark Ab
r
aham
P
e
rmit c
o
mparison of only
first f
r
ame
s
commit
|
commitdiff
|
tree
2020-09-22
Mar
k
Ab
r
aham
S
p
lit
m
drun-t
e
s
t
commit
|
commitdiff
|
tree
2020-09-21
Mark
Abraham
Wrong logic was used
commit
|
commitdiff
|
tree
2020-09-16
Mark A
b
raham
Activate AMD Open
C
L build
i
n
r
elease
matrix
commit
|
commitdiff
|
tree
2020-09-12
Mark A
b
raham
Fix GPU device
i
nfo broad
c
as
t
with
MPI
commit
|
commitdiff
|
tree
2020-08-26
M
a
r
k
Ab
r
a
h
a
m
P
e
rm
i
t bui
l
d w
i
th C
U
DA 11
.
0
commit
|
commitdiff
|
tree
2020-08-17
Mark Abraham
A
l
low simpler use of scripted container bu
i
lds
commit
|
commitdiff
|
tree
2020-08-17
Ma
r
k
Abrah
a
m
R
e
store use of
C
UDA 11
.
0 in CI
commit
|
commitdiff
|
tree
2020-08-17
M
a
rk Abraham
Build
f
ewer unnecessar
y
SIMD kernels in CI
commit
|
commitdiff
|
tree
2020-08-17
M
ark Abra
h
a
m
Support o
n
eAPI in gitlab CI
commit
|
commitdiff
|
tree
2020-08-17
Mark Abra
h
am
Stopped using images in biophys
i
cs Dock
e
r r
e
po
s
itor
y
commit
|
commitdiff
|
tree
2020-08-17
M
ark
A
braham
Avo
i
d
builds
w
i
t
h
RelWithDe
b
In
f
o
commit
|
commitdiff
|
tree
2020-08-17
Ma
r
k
A
bra
h
am
Fix isHostMemoryPinned f
o
r
c
h
anges in CUDA 11
.
0
commit
|
commitdiff
|
tree
2020-08-12
Mark Ab
r
aham
Revert to CUDA
10 image for
C
I
commit
|
commitdiff
|
tree
2020-08-08
M
a
rk Abraha
m
Fix typo in
docs
commit
|
commitdiff
|
tree
2020-08-07
Mark Abraham
F
i
x
r
e
lease build warning
commit
|
commitdiff
|
tree
2020-08-06
Mark Ab
r
aham
K
eep all the infr
a
and the use
r
happy
commit
|
commitdiff
|
tree
2020-08-06
Mark Abraham
Update minim
u
m tested
CUDA t
o
11
.
0
commit
|
commitdiff
|
tree
2020-07-31
Mark Ab
r
aham
Move co
d
e to prepa
r
e fo
r
mult
i
sim class
commit
|
commitdiff
|
tree
2020-07-31
Mark Abraham
R
e
lease con
f
igs were using a wrong bu
i
l
d t
y
pe
commit
|
commitdiff
|
tree
2020-07-31
Mark Abraham
Rele
a
se
configs were using a wrong build type
commit
|
commitdiff
|
tree
2020-07-27
Mark Abra
h
am
Fix
warn
i
ngs in rel
e
ase builds
commit
|
commitdiff
|
tree
2020-07-27
Mark Abraham
Fix RDTSCP handling
commit
|
commitdiff
|
tree
2020-07-15
Mark
A
b
r
a
h
a
m
Di
v
i
d
e default commu
n
icator fr
o
m
D
D
communic
a
tors
commit
|
commitdiff
|
tree
2020-07-08
Mar
k
Abraham
Fix issues found with
c
lang-tidy
commit
|
commitdiff
|
tree
2020-06-25
Mark Abraham
Restored th
e
comment
commit
|
commitdiff
|
tree
2020-06-23
Mark A
b
r
a
ham
WI
P
: F
i
nish remo
v
in
g
compile_
c
p
p
_as_cuda
commit
|
commitdiff
|
tree
2020-06-01
Mark Abraham
Fix a
t
omics co
n
figure test
commit
|
commitdiff
|
tree
2020-05-29
Mark Abraham
M
a
k
e Cygw
i
n b
u
i
l
d
wor
k
commit
|
commitdiff
|
tree
2020-04-30
Ma
r
k Abraham
Remove bundled FindCUDA
.
c
make
commit
|
commitdiff
|
tree
2020-04-30
Mark Abrah
a
m
Fix com
p
i
ler flag
r
eporti
n
g
commit
|
commitdiff
|
tree
2020-04-29
M
ark Abraham
U
p
d
ate cmake ve
r
sion for docs c
o
ntainer
commit
|
commitdiff
|
tree
2020-04-29
Mark
A
b
raha
m
Baseline
c
o
m
mit
commit
|
commitdiff
|
tree
2020-04-29
Mark A
b
raham
Fixed s
e
veral
c
l
a
n
g
-tidy issues
commit
|
commitdiff
|
tree
2020-04-27
Ma
r
k Abra
h
am
Impr
o
ved so
m
e
l
ogic in do_fo
r
ce
commit
|
commitdiff
|
tree
2020-04-25
Mark Ab
r
aham
M
o
v
e
configuration o
f
global
h
e
a
ders
commit
|
commitdiff
|
tree
2020-04-23
Mark Abraham
M
a
r
k
HWLOC cmake cac
h
e
v
ariable as adva
n
c
e
d
commit
|
commitdiff
|
tree
2020-04-23
Mark
A
brah
a
m
Fix
warnings for
n
o-mp
i
bui
l
d
commit
|
commitdiff
|
tree
2020-04-21
Mark
A
brah
a
m
Fix
w
a
rn
i
ngs with clang 9
commit
|
commitdiff
|
tree
2020-04-16
Mark Abra
h
am
Introduce
GMX_USE_
S
IMD
_
KERNEL
S
c
m
ake optio
n
commit
|
commitdiff
|
tree
2020-04-14
Mark A
b
r
aham
Fix more clang
warni
n
gs
commit
|
commitdiff
|
tree
2020-04-13
M
a
rk Abraham
Fix warnin
g
s for no-
m
pi build
commit
|
commitdiff
|
tree
2020-04-12
Mark Ab
r
a
h
a
m
Re
m
o
ved unused vari
a
ble i
n
f
orce table gen
e
r
ation
commit
|
commitdiff
|
tree
2020-04-12
M
ark Abraham
F
i
nish removing ENCAD shifts a
n
d t
a
ble generation
commit
|
commitdiff
|
tree
2020-04-12
Mark A
b
raham
Update to clang
-
tid
y
-9
commit
|
commitdiff
|
tree
2020-04-08
Mar
k
Abraham
Fixes for clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-07
Mark A
b
raham
Replace Enum
O
ption wit
h
Enumeratio
n
A
r
rayO
p
t
ion
commit
|
commitdiff
|
tree
2020-04-01
M
a
rk Abrah
a
m
Fix mino
r
bug wi
t
h
t
ools ti
m
e-unit conv
e
r
s
i
ons
commit
|
commitdiff
|
tree
2020-03-30
Mark Abra
h
am
Set buffers
appropriately so
.
xpm f
i
les can be
r
e
a
d
.
commit
|
commitdiff
|
tree
2020-03-18
Mark
A
braham
F
i
x
unus
e
d va
r
iable i
n
PME OpenCL
k
ernel
commit
|
commitdiff
|
tree
2020-03-18
Mark Abraham
S
i
mplify
P
ME GPU constants
commit
|
commitdiff
|
tree
2020-03-14
Mark Abraham
Move testin
g
code to
t
est di
r
ecto
r
y
commit
|
commitdiff
|
tree
2020-03-13
Mar
k
Abr
a
ham
Require pa
d
d
ed atom data for PME GPU
commit
|
commitdiff
|
tree
2020-03-09
Ma
r
k A
b
raham
Consolid
a
te PME GPU spline i
n
f
r
astructure
commit
|
commitdiff
|
tree
2020-03-06
Mark
A
b
raham
Simplify
c
ompiling
GPU code for
t
ests
commit
|
commitdiff
|
tree
2020-03-05
Mark Ab
r
a
h
am
S
implify
P
ME
s
tep workl
o
ad
management
commit
|
commitdiff
|
tree
2020-03-04
Mark Abraham
I
mp
r
ove TP
I
handling
commit
|
commitdiff
|
tree
2020-02-23
Mark Abraham
Re
m
o
v
e
d u
n
u
s
ed
P
M
E gather functionality
commit
|
commitdiff
|
tree
2020-02-18
M
a
rk Abraham
Added m
o
re docs and
t
ests to En
u
merati
o
n
Array
commit
|
commitdiff
|
tree
2020-01-27
M
a
rk Abraham
Update some nbnxm kernel
co
n
stan
t
s
t
o
constexpr
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraha
m
R
emove element-si
z
e member fi
e
lds
commit
|
commitdiff
|
tree
2020-01-27
Ma
r
k Abraham
Make NbnxnGpu cla
s
s
with
c
o
nst
r
uct
o
r
commit
|
commitdiff
|
tree
2020-01-17
M
ark Abraha
m
R
e
gularize nbnx
m
module doxygen
commit
|
commitdiff
|
tree
2020-01-16
Mark Ab
r
aham
Ma
k
e nbn
x
m
h
eaders
more self
-
contai
n
e
d
commit
|
commitdiff
|
tree
2020-01-09
M
a
rk A
b
rah
a
m
Clea
n
up ewald module internals
commit
|
commitdiff
|
tree
2020-01-09
M
ar
k
Abraham
Split lines w
i
t
h many copyright
y
ears
commit
|
commitdiff
|
tree
2019-12-31
M
ark Abr
a
ham
Avoid 386 O
3
codeg
e
n bug even m
o
re
commit
|
commitdiff
|
tree
2019-12-30
Ma
r
k Abraham
Tests
that veri
f
y serializer beh
a
viours
commit
|
commitdiff
|
tree
2019-12-30
Mark Abrah
a
m
R
emove use
of t
u
ple in LINCS c
o
de for GPU
i
m
ple
m
ent
a
tion
commit
|
commitdiff
|
tree
2019-12-28
Mark Ab
r
aha
m
Remove GMX_CYCLECOUNTERS
commit
|
commitdiff
|
tree
2019-12-28
Mark Abra
h
am
Merge
"Merge ori
g
in/release-2
0
19 into rele
a
se-20
2
0
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
M
a
r
k Abraham
Remove support for AR
M
v7
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Stop testi
n
g
ARMv7
commit
|
commitdiff
|
tree
2019-12-17
Ma
r
k
Abra
h
am
F
ix that
tes
t
s intended for multiple ranks
r
un th
a
t way
commit
|
commitdiff
|
tree
2019-12-14
M
ar
k
Ab
r
aham
Simplify gmxapi
R
PA
T
H handling
commit
|
commitdiff
|
tree
2019-12-12
Mar
k
A
braham
Me
r
ge "Merge br
a
nch 'origin/rel
e
a
se
-
2020' into m
a
ster"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraha
m
Document
DOMAINDECOMP
(
cr)
c
o
rrectly
commit
|
commitdiff
|
tree
2019-12-10
Mark Ab
r
aham
Simplify
gmxapi
RPATH
h
a
n
dlin
g
commit
|
commitdiff
|
tree
2019-12-06
M
a
rk
A
bra
h
am
Avoid
386 O3
c
odegen bug
commit
|
commitdiff
|
tree
2019-12-06
M
a
rk Abraham
Provide more f
e
edback
when listed forces test
s
f
a
il
commit
|
commitdiff
|
tree
2019-12-04
Ma
r
k A
b
raham
Added Open
C
L
bu
i
ld to release matrix
commit
|
commitdiff
|
tree
2019-12-04
Mark
Abrah
a
m
Removed unn
e
cess
a
r
y
link_directories co
m
m
and for gte
s
t
commit
|
commitdiff
|
tree
2019-12-01
Mark Abraham
Further improve task
a
ssignment exc
e
ption handling
commit
|
commitdiff
|
tree
2019-11-29
Mark Abr
a
ham
Merge
b
ran
c
h r
e
leas
e
-
2
019
i
n
to
r
elease-2020
commit
|
commitdiff
|
tree
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