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Removed unused host-side allocation code
2016-05-26
Mark A
b
raham
New quote
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
Me
r
ge branch release-5-1
into release-2016
commit
|
commitdiff
|
tree
2016-05-12
Ma
r
k Ab
r
aham
GR
O
MACS 2016 beta
1
release
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
B
u
mp clan
g
static analyze
r
to v
e
rsion 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark A
b
raham
M
inor update to sphinx depen
d
ency
commit
|
commitdiff
|
tree
2016-05-10
Mark Ab
r
aham
F
a
cil
i
tate linking with
l
ibcxx
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraha
m
Fixes for clang
3
.
7 on PowerPC
commit
|
commitdiff
|
tree
2016-05-08
Mark Abr
a
ham
Fix c
o
nstants, units and
conversion fact
o
rs
commit
|
commitdiff
|
tree
2016-04-27
Mark A
b
raham
M
e
rge branch release-5
-
1
commit
|
commitdiff
|
tree
2016-04-19
M
a
r
k Abraham
Replace libxml2 wi
t
h tiny
x
ml2 for use in t
e
st
code
commit
|
commitdiff
|
tree
2016-04-19
Mark
Abr
a
h
a
m
F
ix
p
arse_digits_from_strin
g
commit
|
commitdiff
|
tree
2016-04-19
Ma
r
k Abra
h
am
F
ix mdp
l
a
b
e
l
ge
n
eration
commit
|
commitdiff
|
tree
2016-04-18
Mark Abraham
Redu
c
e
compilation co
u
p
l
ing of SI
M
D modu
l
e
commit
|
commitdiff
|
tree
2016-04-14
Mark Abraham
Merge bra
n
ch
r
elease-5-1
commit
|
commitdiff
|
tree
2016-04-01
Mark
Abraham
Rev
e
r
t
to treat
i
ng -1 as "g
e
nerate a seed" in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
Mark Abraham
Add test and imp
r
oved docs for
cu
s
tom
checkSequen
c
e
commit
|
commitdiff
|
tree
2016-03-30
Mark Abraha
m
C
lean up vs
i
te
co
d
e
commit
|
commitdiff
|
tree
2016-03-19
Mark Abra
h
am
Add more co
n
s
t correctne
s
s
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Fix warning fro
m
GCC 6
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Im
p
ro
v
ed some
m
d
run integrati
o
n tests
commit
|
commitdiff
|
tree
2016-03-18
Mark
Abrah
a
m
W
a
rn
a
bout
O
p
enMPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark A
b
rah
a
m
Fix typo i
n
Four
i
er dihedr
a
l eq
u
a
tio
n
commit
|
commitdiff
|
tree
2016-03-15
Mark Abraham
Mer
g
e bra
n
ch rel
e
ase-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-03-12
Mark Abraham
Upd
a
te
use of isna
n
in linearalge
b
ra
commit
|
commitdiff
|
tree
2016-03-12
M
a
rk
A
b
raham
Find hwlo
c
quie
t
ly if it's already been found
commit
|
commitdiff
|
tree
2016-03-11
Mar
k
Abraham
Add in
f
ras
t
ru
c
ture for tests
to compa
r
e mdrun
s
commit
|
commitdiff
|
tree
2016-03-11
Mark A
b
raham
Merge branch r
e
lease-5-
0
into
r
elease-5-1
commit
|
commitdiff
|
tree
2016-03-10
Mark Abra
h
a
m
R
e
quire 2
0
15 v
e
rsion for MSVC
commit
|
commitdiff
|
tree
2016-03-05
Mark Ab
r
aham
A
d
d SETTLE unit
t
ests
commit
|
commitdiff
|
tree
2016-02-26
Mark A
b
raham
S
ep
a
ra
t
ed test of CDA
T
A end tag handling from others
commit
|
commitdiff
|
tree
2016-02-23
Ma
r
k Abraham
Re
p
l
a
ce
cp
p
che
c
k
s
uppr
e
ssion i
n
checkpoint co
d
e
commit
|
commitdiff
|
tree
2016-02-22
Mark
A
braham
Mo
v
e
i
nit of specia
l
ized dynamic
a
l algor
i
thms to d
o
_
m
d
commit
|
commitdiff
|
tree
2016-02-21
M
ark
A
brah
a
m
Separate t
a
ble const
r
uction
commit
|
commitdiff
|
tree
2016-02-19
Mark Abrah
a
m
Merge br
a
nch
r
e
lease-5
-
1
commit
|
commitdiff
|
tree
2016-02-19
M
ark
A
braham
Make
b
oth ftp and ht
t
p
l
inks for sou
r
c
e
down
l
oad
commit
|
commitdiff
|
tree
2016-02-18
Mark
A
br
a
h
a
m
Up
d
ated reference m
a
nu
a
l te
x
t ab
o
ut
P
M
E
t
u
n
ing
commit
|
commitdiff
|
tree
2016-02-16
Mark
A
braham
Merge bra
n
ch release-5-0 into relea
s
e
-
5-1
commit
|
commitdiff
|
tree
2016-02-14
M
a
rk Abr
a
h
am
Re-gen
e
rated eps for figure 4
.
8
commit
|
commitdiff
|
tree
2016-02-10
M
a
rk Abraham
R
e
-
remove *_s
t
o
c
hd_state function decla
r
atio
n
s
commit
|
commitdiff
|
tree
2016-02-10
Mark
A
br
a
h
a
m
Impro
v
ed
update_coor
d
s handling of
xprime
commit
|
commitdiff
|
tree
2016-02-10
M
a
rk Abraham
Fix i
s
sues to
update cppcheck
s
upport to 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
Mark Abra
h
am
M
erge bran
c
h release-5-0 int
o
re
l
ea
s
e-5-1
commit
|
commitdiff
|
tree
2016-02-06
Mark
A
braham
Merge branc
h
release-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abr
a
h
am
Bu
m
p
e
d
patc
h
n
u
m
b
er to prepare for
f
uture 5
.
1
.
3 rele
a
se
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Versi
o
n 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Fix
gr
o
m
p
p
n
ot warning when
.
m
d
p values have wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
M
e
rge rele
a
s
e-5-0 into r
e
lease
-
5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abra
h
am
Fix
d
Ekin/dl handling with multiple ranks
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
M
erge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-28
Ma
r
k
A
b
r
aham
Fix use of
_
_APPLE__ i
n
OpenCL
code
commit
|
commitdiff
|
tree
2016-01-28
M
a
rk Abraham
Add OpenC
L
source file types
t
o copyrig
h
t checker
commit
|
commitdiff
|
tree
2016-01-28
M
ark Abraham
Avoid FP
exception
commit
|
commitdiff
|
tree
2016-01-27
Mark Abr
a
ham
Merge
b
r
anch release-
5
-1
commit
|
commitdiff
|
tree
2016-01-27
Mark
A
b
raham
Rem
o
ve bNo
t
LastFrame
commit
|
commitdiff
|
tree
2016-01-27
M
ark Abr
a
ham
Add
suggestions
for updating binutils
commit
|
commitdiff
|
tree
2016-01-26
Mark Abr
a
h
am
Fix default for G
M
X_USE_NVML
commit
|
commitdiff
|
tree
2016-01-25
Mark Abraham
Merge bra
n
ch
r
ele
a
se-5
-
1
commit
|
commitdiff
|
tree
2016-01-24
Mark A
b
r
a
ham
Fix dup
l
icate
LaTeX
e
qua
t
ion label
commit
|
commitdiff
|
tree
2016-01-24
Mark
Abraham
Update referen
c
es to
HTML and online documentati
o
n
commit
|
commitdiff
|
tree
2016-01-14
M
ark
A
b
r
aham
Permit cust
o
mized te
s
ting of gromp
p
and mdrun
commit
|
commitdiff
|
tree
2016-01-13
Mark Abraham
Allowe
d
NVML support to b
e
to
g
gled
commit
|
commitdiff
|
tree
2016-01-12
Mark Ab
r
aha
m
Merge b
r
anch rele
a
se-5-0 into
relea
s
e-5-1
commit
|
commitdiff
|
tree
2016-01-11
Mark Ab
r
aham
Im
p
rov
e
d
update_coords
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
I
m
prove tpr he
a
der ver
s
ion h
a
ndli
n
g
commit
|
commitdiff
|
tree
2016-01-08
M
a
r
k
Abrah
a
m
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mark Abr
a
ham
Fi
x
some md
r
un header
d
ependencies
commit
|
commitdiff
|
tree
2016-01-07
Mark Abra
h
a
m
Avoid more C
+
+ bindings for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Do
c
um
e
nt how
potential-switch
w
orks
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk
A
b
r
aham
S
top using
UNDEFINED as name of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abra
h
am
Remo
v
e fi
e
l
d
s used only for SD2
commit
|
commitdiff
|
tree
2016-01-07
Ma
r
k Abr
a
ham
Backp
o
rt md
-
vv fixes
commit
|
commitdiff
|
tree
2016-01-07
Mark Ab
r
a
ham
Remov
e
SD2
integrato
r
commit
|
commitdiff
|
tree
2016-01-06
Mark Ab
r
ah
a
m
Fix
spurious
g
cc warning
commit
|
commitdiff
|
tree
2016-01-05
Mark A
b
raham
F
i
x logic for DD
m
is
s
ing-
i
nteractions ch
e
c
k
commit
|
commitdiff
|
tree
2016-01-05
Mark Abraham
Use
E
XPE
C
T_
T
RUE
and EXPECT_FALSE
i
n
n
e
w
SIMD t
e
sts
commit
|
commitdiff
|
tree
2016-01-04
Mark Abrah
a
m
Change
G
MX_D
O
UBLE
t
o be alway
s
defin
e
d
commit
|
commitdiff
|
tree
2015-12-28
M
a
rk Abraha
m
C
r
eate invertma
t
rix
.
h
commit
|
commitdiff
|
tree
2015-12-28
M
ark A
b
raham
Mer
g
e branch release-5-1
commit
|
commitdiff
|
tree
2015-12-27
Mark Ab
r
aham
Fix some OpenCL issues
commit
|
commitdiff
|
tree
2015-12-24
M
a
rk Abraham
Moved responsibi
l
ity fo
r
f
_globa
l
commit
|
commitdiff
|
tree
2015-12-24
M
ark Abraham
Shell co
d
e cleanup
commit
|
commitdiff
|
tree
2015-12-17
Mar
k
Ab
r
aham
Si
m
plified energy-s
u
mmation code
commit
|
commitdiff
|
tree
2015-12-12
Mark A
b
raham
Brok
e
up cop
y
right
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark Ab
r
aham
Require Nose-Hoover w
i
th MTTK
commit
|
commitdiff
|
tree
2015-12-11
M
a
r
k
Abraha
m
Stop gl
o
bal com
m
u
n
i
ca
t
i
o
n depend
i
ng on integrator
commit
|
commitdiff
|
tree
2015-12-10
Mark
Abraham
Merg
e
branch 'origin/release-5-1'
commit
|
commitdiff
|
tree
2015-12-09
Mark Abrah
a
m
Update use of pre
p
rocessor in managing GPU support
commit
|
commitdiff
|
tree
2015-12-08
Mark A
b
ra
h
am
Merge
branch 'release-5-0' into re
l
ease-5-1
commit
|
commitdiff
|
tree
2015-12-08
M
a
rk Abraham
Fix Tr
o
tter in
t
egration
commit
|
commitdiff
|
tree
2015-12-03
M
ark Abraham
R
e
m
o
v
e m
d
run -compact
commit
|
commitdiff
|
tree
2015-12-02
M
a
rk
Abraham
Re
m
ove twin-
r
ange scheme
commit
|
commitdiff
|
tree
2015-11-30
M
ark Abraham
Refac
t
or hardware i
n
formation ma
n
agement
commit
|
commitdiff
|
tree
2015-11-25
M
a
rk
A
braham
Fix
logic
o
f dd_pr
i
nt
_
m
issing_interact
i
ons exi
t
commit
|
commitdiff
|
tree
2015-11-24
Mark Abraham
Fix error
i
n mu
l
ti
-
sim communication
commit
|
commitdiff
|
tree
2015-11-23
M
a
rk Abra
h
am
Updat
e
and expand pre
-
submit commit matrix
commit
|
commitdiff
|
tree
2015-11-22
Mark A
b
raham
Fix gene
r
ic gr
o
up-scheme ker
n
e
l
tabl
e
d
erefer
e
ncing
commit
|
commitdiff
|
tree
2015-11-20
Mark Abra
h
am
Split wallcycle interface
commit
|
commitdiff
|
tree
2015-11-20
Mark Abraha
m
R
e
move ewcWAIT_GPU_NB_L_
E
ST
commit
|
commitdiff
|
tree
2015-11-19
Mar
k
Abr
a
h
a
m
S
i
mplified init a
n
d
mdrun co
d
e
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
Abraham
Fi
x
use of #if vs #ifdef
commit
|
commitdiff
|
tree
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