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Add helper function to make a vector from an ArrayRef
2018-03-20
Mark Abraham
Add helper function to make a
v
ector from
an Arr
a
yRef
commit
|
commitdiff
|
tree
2018-03-14
Mark Abraham
Mak
e
a p
e
r
sist
e
nt physical no
d
e communic
a
t
o
r
commit
|
commitdiff
|
tree
2018-03-13
Mar
k
Abr
a
h
a
m
Add more const to uses of
t_com
m
rec
a
n
d t
_
inputre
c
commit
|
commitdiff
|
tree
2018-03-13
M
a
rk Abraham
Introduce con
s
train_sha
k
e
commit
|
commitdiff
|
tree
2018-03-13
Ma
r
k Abraha
m
Merge "Merge branch
relea
s
e
-
2018"
commit
|
commitdiff
|
tree
2018-03-06
Mar
k
Abraha
m
Merge branch r
e
lease-2018
commit
|
commitdiff
|
tree
2018-03-06
Mar
k
A
braham
Fixed
d
vdlambda for SHAKE
+
FE
commit
|
commitdiff
|
tree
2018-02-28
Mark Abraham
Moved and removed con
s
train
t
cod
e
commit
|
commitdiff
|
tree
2018-02-28
Mark Abraham
R
eorg
a
nized const
r
aint co
d
e
commit
|
commitdiff
|
tree
2018-02-27
Ma
r
k Abraham
Fix GPU utils test
commit
|
commitdiff
|
tree
2018-02-26
Mark Abraham
Permit define
.
mdp field
t
o
assign v
a
lues
commit
|
commitdiff
|
tree
2018-02-26
Mark Abraham
Organi
z
e for
r
ecording 2016-era release
n
otes and add
.
.
.
commit
|
commitdiff
|
tree
2018-02-21
Mark Abraham
E
nhanced docs of pimpl pointer helpe
r
commit
|
commitdiff
|
tree
2018-02-19
Mark Abraha
m
Re
m
o
ve cycle sup
p
ression
commit
|
commitdiff
|
tree
2018-02-19
Mark Ab
r
aham
Disallow
e
d change o
f
ensemble
f
o
r c
h
eckpoint restart
commit
|
commitdiff
|
tree
2018-02-16
M
a
rk A
b
r
aham
Me
r
ge bran
c
h rele
a
se
-
2016 into release-201
8
commit
|
commitdiff
|
tree
2018-02-16
M
a
rk Abr
a
ham
Bumped p
a
tch version for
next release
commit
|
commitdiff
|
tree
2018-02-16
Mark Abrah
a
m
Mer
g
e
branch
r
elease-2018
i
nto
master
commit
|
commitdiff
|
tree
2018-02-16
M
ark Abraham
V
e
rsi
o
n 2016
.
5
commit
|
commitdiff
|
tree
2018-02-15
Mark Abraham
U
s
e struct for check
p
oint
he
a
der contents
commit
|
commitdiff
|
tree
2018-02-14
M
a
r
k Abraham
Remove read_ch
e
ck
p
oint_sta
t
e
commit
|
commitdiff
|
tree
2018-02-14
Mark Ab
r
aham
U
s
e std::
v
ector for check
p
oint o
u
t
putf
i
l
es
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
M
e
rge
b
ranch release-2016 into
r
elease-20
1
8
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
Fix bug in
c
h
e
ckpoint error checking
commit
|
commitdiff
|
tree
2018-02-14
M
a
rk
A
braham
Prepare
release notes
fo
r
2018
.
1
commit
|
commitdiff
|
tree
2018-02-13
Mark Abrah
a
m
Us
e
death t
e
st on
l
y
w
hen supported
commit
|
commitdiff
|
tree
2018-02-13
Ma
r
k Abraham
Separate multisim from commrec
commit
|
commitdiff
|
tree
2018-02-12
Mark Abrah
a
m
Remove commrec from
h
ardwa
r
e detection
commit
|
commitdiff
|
tree
2018-02-12
Mark Abr
a
ham
Analyse thread
s
o
n
n
ode
b
efore setting af
f
inities
commit
|
commitdiff
|
tree
2018-02-12
Mark Abraha
m
F
ix
r
eading old force fie
l
d files
commit
|
commitdiff
|
tree
2018-02-09
Mark Abraham
Mer
g
e branch release-2018
commit
|
commitdiff
|
tree
2018-02-08
M
a
rk Abraham
Use
more p
o
rt
a
ble python
s
hebangs
commit
|
commitdiff
|
tree
2018-02-08
Mark
A
braham
Merge "Merge bra
n
ch release-20
1
6
into release
-
201
8
.
.
.
commit
|
commitdiff
|
tree
2018-02-08
Mark A
b
raha
m
M
er
g
e
b
ranch release-2016 int
o
release-2
0
1
8
commit
|
commitdiff
|
tree
2018-02-08
M
a
r
k
Ab
r
aham
M
erge "Merge bra
n
ch
'
r
elea
s
e-201
8
' in
t
o master"
commit
|
commitdiff
|
tree
2018-02-06
Mark Abraham
Pr
e
vent
l
og f
i
le energy average
printing dividing by
.
.
.
commit
|
commitdiff
|
tree
2018-02-06
Mark Abra
h
a
m
Use
i
sfinite unamb
i
guously
commit
|
commitdiff
|
tree
2018-01-30
Ma
r
k Abraham
Replace macros for multi-
s
i
m
commit
|
commitdiff
|
tree
2018-01-30
Mark Abraham
Up
d
ate GoogleTest to
1
.
8
.
0
commit
|
commitdiff
|
tree
2018-01-27
Mark Abraha
m
Remove un
u
sed declaration
commit
|
commitdiff
|
tree
2018-01-25
Mar
k
Abraham
Re
m
ove unused fields of
t_comm
r
e
c
commit
|
commitdiff
|
tree
2018-01-25
Mark Abraha
m
Reduced in
c
lude
s
of common h
e
aders in headers
commit
|
commitdiff
|
tree
2018-01-25
Mark Abra
h
am
R
e
m
ove
d
mdrun -mu
l
ti
commit
|
commitdiff
|
tree
2018-01-24
Mark Abraham
Change mul
t
i-sim tests
to u
s
e -mul
t
idir
commit
|
commitdiff
|
tree
2018-01-24
Mark
Abraham
Remove gmx
_
in
l
ine
commit
|
commitdiff
|
tree
2018-01-24
Mar
k
A
b
r
a
h
am
Teach in
c
lude sorter
t
o i
g
nore
c
make-test files
commit
|
commitdiff
|
tree
2018-01-24
Ma
r
k
Abraham
Move
W
i
ndo
w
s icc con
f
ig to post-submit testing
commit
|
commitdiff
|
tree
2018-01-24
M
a
rk Ab
r
aham
Replace g
m
x_bool w
i
th boo
l
i
n bitmask f
u
nctions
commit
|
commitdiff
|
tree
2018-01-23
Mark Abraham
Remo
v
e support for implicit solvation
commit
|
commitdiff
|
tree
2018-01-23
Mark Abraham
Re
m
ove topology support f
o
r imp
l
i
cit
solva
t
ion
commit
|
commitdiff
|
tree
2018-01-23
Ma
r
k Abrah
a
m
P
r
eliminary
cleanu
p
b
efore
r
emoving i
f
def cplusp
l
us
commit
|
commitdiff
|
tree
2018-01-19
Mark Abrah
a
m
Merge
"Me
r
ge
b
r
a
n
ch 'release-
2
01
8
' int
o
mast
e
r
"
commit
|
commitdiff
|
tree
2018-01-19
Mark
A
braham
Add dev-guide docs for a
u
tomat
i
c upd
a
te of
r
egre
s
siontests
commit
|
commitdiff
|
tree
2018-01-19
M
a
rk Abr
a
h
am
Fixes for issues f
o
und
by cla
n
g 6
commit
|
commitdiff
|
tree
2018-01-18
Mark Abra
h
am
B
ump ver
s
ion numbers
f
or
2019 d
e
v
e
l
o
pment
commit
|
commitdiff
|
tree
2018-01-18
Mark Abraham
R
emove support
f
o
r
BlueGe
n
e
commit
|
commitdiff
|
tree
2018-01-18
M
a
rk
A
braham
Po
r
t thread-MPI t
o
co
m
pile as
C
++
commit
|
commitdiff
|
tree
2018-01-16
Mark Abraham
Merge "Merge release-2018
i
nto master"
commit
|
commitdiff
|
tree
2018-01-11
Mark Abraham
Remove contrib
d
irectory
commit
|
commitdiff
|
tree
2018-01-11
Mark A
b
raham
Bumped version f
o
r
ne
x
t
p
a
t
ch releas
e
commit
|
commitdiff
|
tree
2018-01-11
Mark Ab
r
ah
a
m
Version 2018
commit
|
commitdiff
|
tree
2018-01-11
Mark Ab
r
aham
A
n
nounce
in user
l
og
f
i
les
t
ha
t
features are deprecat
e
d
.
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraha
m
Fix automated GPU
ID ass
i
gnment
commit
|
commitdiff
|
tree
2018-01-10
M
ark Abraham
Add release notes
to source
repo
commit
|
commitdiff
|
tree
2018-01-10
Mar
k
Abraham
Handl
e
e
rroneous c
o
mmand
l
ine args bette
r
commit
|
commitdiff
|
tree
2018-01-09
Ma
r
k Abraham
Deactivate
a
utose
l
ect of PM
E
on GPU on s
e
parat
e
rank
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
C
lean up user g
u
id
e
for re
l
e
ase
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
M
e
rge branch r
e
lease-2
0
16 into r
e
l
ease-2018
commit
|
commitdiff
|
tree
2018-01-05
Ma
r
k
A
braham
Remove FindCUDA from s
o
u
rce t
a
rbal
l
commit
|
commitdiff
|
tree
2018-01-04
M
a
r
k Abraham
M
erge branch re
l
ease-2018
commit
|
commitdiff
|
tree
2018-01-04
Ma
r
k Abraham
Add test co
n
f
ig
of GPU build on slave without GP
U
commit
|
commitdiff
|
tree
2018-01-03
Mark A
b
raham
Add c
o
ol q
u
ote
commit
|
commitdiff
|
tree
2018-01-03
Mark Abraham
Fix
d
u
p
licate
w
arning
commit
|
commitdiff
|
tree
2018-01-02
Mar
k
A
braham
Fi
x
membed by callin
g
t
h
e proper mt
o
p finaliz
a
tion
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Mark Abraham
Fir
s
t release candida
t
e
for
version 2018
commit
|
commitdiff
|
tree
2017-12-29
Mark Abraham
S
e
para
t
e
canDetectGpus
and findGpus
f
uther, a
n
d fi
x
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Ma
r
k Abraham
Silence PO
W
ER8 com
p
iler warnings
commit
|
commitdiff
|
tree
2017-12-22
Mar
k
Abraham
Merge br
a
nch rel
e
a
se-2016 into rele
a
se-2018
commit
|
commitdiff
|
tree
2017-12-21
M
a
rk A
b
raham
Merg
e
branc
h
release-
5
-1
i
nto re
l
ease-2016
commit
|
commitdiff
|
tree
2017-12-21
Mark Abra
h
am
Bump minor version
for theor
e
tical new rel
e
ase
commit
|
commitdiff
|
tree
2017-12-21
Mark A
b
raha
m
U
pdate double-precision t
e
st confi
g
urations
commit
|
commitdiff
|
tree
2017-12-21
Mar
k
Abraham
V
ersio
n
5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
Use new de
f
aultRealTolera
n
c
e() to
s
t
abilise som
e
t
ests
commit
|
commitdiff
|
tree
2017-12-20
Mark
Abra
h
am
Merge "Merge branch release-2016 i
n
to release-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mar
k
Abraham
Merge bran
c
h releas
e
-2016 into re
l
ease-2018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abraham
Third
beta release of 201
8
commit
|
commitdiff
|
tree
2017-12-19
M
ark Abraha
m
Fix t
a
ble tests and improve
t
a
ble con
s
tructi
o
n
commit
|
commitdiff
|
tree
2017-12-15
Mark Abra
h
am
Make OpenCL
implemen
t
ation of gpu_uti
l
s tests conf
o
rm
commit
|
commitdiff
|
tree
2017-12-14
Mark
A
braham
Avoi
d
con
f
using messa
g
e at end
o
f non-dynamical
ru
n
s
commit
|
commitdiff
|
tree
2017-12-14
Mark A
b
raham
Fix re
t
u
r
n
values of fram
e
-reading functi
o
n
s
commit
|
commitdiff
|
tree
2017-12-14
M
a
r
k
Abraham
Make AVX-512 CMake detc
t
i
o
n work
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Merge "Mer
g
e branch release-2016
into relea
s
e-2
0
18
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mark Ab
r
aham
I
mprove gro
m
pp
missing
-
parameters er
r
or mes
s
age
commit
|
commitdiff
|
tree
2017-12-12
Mar
k
Abraham
M
erge b
r
anch rel
e
ase
-
2016 into
r
elease-2018
commit
|
commitdiff
|
tree
2017-12-11
Mark Abr
a
h
a
m
Sec
o
n
d bet
a
r
e
leas
e
of 20
1
8
commit
|
commitdiff
|
tree
2017-12-11
Mark Ab
r
aham
Lea
v
e NVM
L
use off
by
d
ef
a
ul
t
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Che
c
k f
o
r G
P
U detection support before detecti
n
g
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Con
s
um
e
any
e
rror produ
c
ed du
r
ing GPU de
t
ection
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Avoid s
i
g
n
e
d-ov
e
rflow
w
arnin
g
wi
t
h gcc 7
commit
|
commitdiff
|
tree
2017-12-11
Mark Ab
r
aham
Re
m
ove
S
IMD shift operators
commit
|
commitdiff
|
tree
next