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Created paddedvector.h
2016-11-16
M
a
rk Abraham
Created padde
d
vector
.
h
commit
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commitdiff
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tree
2016-11-16
Mark Abraha
m
Remove u
n
i
m
p
l
emente
d
gm
x
trjcat -vel
commit
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commitdiff
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tree
2016-10-31
M
ark
A
br
a
ham
Merge bra
n
c
h
release-2016
commit
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commitdiff
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tree
2016-10-31
Mark Abraham
Me
r
ge branch re
l
ease
-
2016
commit
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commitdiff
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tree
2016-10-28
Mark Abraham
B
u
m
pe
d
version to prep
a
re for next patch
release
commit
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commitdiff
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tree
2016-10-28
Mark Abraha
m
Version 201
6
.
1
commit
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commitdiff
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tree
2016-10-21
Ma
r
k A
b
raham
Up
d
ate ins
t
all guide
commit
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commitdiff
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tree
2016-10-21
M
a
rk Abra
h
am
Up
d
ate cppcheck
s
upport to
1
.
76
.
1
commit
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commitdiff
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tree
2016-10-19
Mark Abraham
Upgrad
e
co
v
erage mat
r
i
x
.
commit
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commitdiff
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tree
2016-10-18
M
a
rk Abra
h
am
Fix SIMD suggestion for
V
MX
commit
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commitdiff
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tree
2016-10-12
Ma
r
k Abraham
Ma
k
e
regressio
n
t
e
sts
u
pdater
build work
for
m
a
st
e
r
.
.
.
commit
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commitdiff
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tree
2016-10-11
Mark Abraham
Update for
F
F
T
W 3
.
3
.
5
commit
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commitdiff
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tree
2016-10-10
M
ark A
b
raham
Merg
e
"
M
erge branch release-2016"
commit
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commitdiff
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tree
2016-10-09
Mark
A
braham
Me
r
ge branch release-201
6
commit
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commitdiff
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tree
2016-10-07
Ma
r
k Abraham
Add scri
p
t for Jenkins regressiontest
update job
commit
|
commitdiff
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tree
2016-10-03
Mark Ab
r
aham
Merge branch re
l
ease-5-1 into release-20
1
6
commit
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commitdiff
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tree
2016-10-03
Mark
A
bra
h
am
Replace use of deprecat
e
d
readd
i
r_
r
commit
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commitdiff
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tree
2016-09-12
Mark
A
braham
P
reliminary clean up
o
f NVML
c
ode
commit
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commitdiff
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tree
2016-09-08
Mark Abraham
Merge branch release-5-1 in
t
o release-201
6
commit
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commitdiff
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tree
2016-09-08
Mark Abraha
m
Bumpe
d
patch num
b
er to
p
repare for future 5
.
1
.
5 r
e
lease
commit
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commitdiff
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tree
2016-09-07
Mark Abraham
V
e
rsion 5
.
1
.
4
commit
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commitdiff
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tree
2016-09-07
Mark Abraham
Remo
v
ed
H
IS1 fr
o
m oplsaa and char
m
m defin
i
tio
n
s
commit
|
commitdiff
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tree
2016-09-07
Mar
k
Abraham
Fix
LYN charges in
a
mb
e
r
0
3
commit
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commitdiff
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tree
2016-09-07
Mark Abraham
Fix amber0
3
HIP c
h
arge
s
commit
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commitdiff
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tree
2016-09-06
Mark Ab
r
aham
Wo
r
k around gli
b
c 2
.
2
3 with
C
UDA
commit
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commitdiff
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tree
2016-08-27
Mark Abraham
St
o
p using gmx_fatal in g
r
ompp
commit
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commitdiff
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tree
2016-08-24
Mark Abr
a
ha
m
Remov
e
ha
c
ks for
outda
t
ed BlueGene supp
o
rt
commit
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commitdiff
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tree
2016-08-15
Mark Abr
a
h
am
Merge branch
r
e
leas
e
-2016
commit
|
commitdiff
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tree
2016-08-15
M
a
rk Abraham
Fixes for BG/Q pla
t
for
m
f
i
les and
insta
l
l gui
d
e
commit
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commitdiff
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tree
2016-08-12
Ma
r
k Abraham
B
ump number to prepare for
first patch release
commit
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commitdiff
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tree
2016-08-04
Mark Abraham
Ver
s
i
o
n 2016
commit
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commitdiff
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tree
2016-07-29
Mark
A
braha
m
Improve handling of
g
mock and gcc6
commit
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commitdiff
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tree
2016-07-29
Mark Abraham
Merge b
r
anch release-5
-
1
into
r
elease-2016
commit
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commitdiff
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tree
2016-07-28
Mar
k
Abraham
Add toolchai
n
flags for S
S
E2 comp
i
lati
o
n
commit
|
commitdiff
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tree
2016-07-21
Ma
r
k Abraham
Bum
p
ed
patch number to pr
e
pare for
future
5
.
1
.
4
r
elease
commit
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commitdiff
|
tree
2016-07-14
Mark Abraham
Fix
iss
u
es wi
t
h
u
sing int
f
or n
u
mber of
st
e
ps
commit
|
commitdiff
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tree
2016-07-13
Mark Ab
r
aham
Version 5
.
1
.
3
commit
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commitdiff
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tree
2016-07-12
Mar
k
A
b
raha
m
Merg
e
b
ra
n
ch release-2016
commit
|
commitdiff
|
tree
2016-07-12
Mark Abr
a
ham
Fix trr
m
agic number reading
commit
|
commitdiff
|
tree
2016-07-11
Mark
A
braham
F
i
x g
m
x mdrun -memb
e
d -
n
t
m
pi -1
commit
|
commitdiff
|
tree
2016-07-11
M
a
rk Abr
a
ham
Fi
x
r
e
g
ressiontest download
md
5
sum
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
First
2
016
r
e
le
a
se
c
andidate
commit
|
commitdiff
|
tree
2016-07-08
M
a
rk Abraham
Merge bran
c
h release-5
-
1
into release
-
2
016
commit
|
commitdiff
|
tree
2016-07-08
Mar
k
Abraham
Simplify SIMD compiler flag
construction
commit
|
commitdiff
|
tree
2016-07-07
Mark
A
b
raham
Move cons
i
stency chec
k
f
o
r
n
umber of threads
commit
|
commitdiff
|
tree
2016-07-07
M
ark Abra
h
am
Fix b
u
ild
i
f
l
ibcuda is found
but nvcc
i
s not
commit
|
commitdiff
|
tree
2016-07-04
Mark Abraham
Fixes fo
r
P
ower7 big-endian
commit
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commitdiff
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tree
2016-07-01
Mark Abrah
a
m
Fix use o
f
_
POSIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abraham
Merge br
a
n
c
h release
-
5-1 into
r
e
l
ease-2016
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Refactor sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
M
a
rk Abraham
Wor
k
around glibc 2
.
2
3
with
CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
U
p
date to include a gcc
6
.
1 configuration
commit
|
commitdiff
|
tree
2016-06-28
Mark Abr
a
ham
Fix S
I
M
D
confi
g
ur
a
tion ma
n
agement
commit
|
commitdiff
|
tree
2016-06-27
Mar
k
Abraham
Rem
o
ved unnecessary inter-
s
imulatio
n
signa
l
l
i
ng
commit
|
commitdiff
|
tree
2016-06-27
Mark A
b
rah
a
m
Merge branc
h
releas
e
-5-1 into release
-
2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abra
h
am
M
e
rge branch re
l
ease-2
0
16
commit
|
commitdiff
|
tree
2016-06-23
M
ark Abraha
m
Allo
w
use
o
f external lmfit p
a
c
k
age
commit
|
commitdiff
|
tree
2016-06-23
Mark Abr
a
ham
Prevent use of mdrun -maxh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Fix configuratio
n
-
time
cpuinfo code
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
M
e
r
ge bran
c
h
r
elea
s
e-5-1 into release
-
2016
commit
|
commitdiff
|
tree
2016-06-22
Mark Ab
r
aham
Adj
u
st
and
d
ocume
n
t C+
+
11 compiler tests
commit
|
commitdiff
|
tree
2016-06-20
Mark
A
b
raham
Update pre-submit
matr
i
x
c
ontents
commit
|
commitdiff
|
tree
2016-06-19
Mark Abraham
Improve docs
f
or linking s
t
dlibc
+
+
n
eeded
b
y
icc
commit
|
commitdiff
|
tree
2016-06-17
M
ark Abraham
Merg
e
branch release-5-1 in
t
o release-2016
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
F
i
x m
u
lti-sim +
DD
+
s
i
m
p
l
e
d
i
s
t
ance restr
a
ints
commit
|
commitdiff
|
tree
2016-06-10
Mar
k
Abraham
Find python f
o
r docs b
u
ild quietly
commit
|
commitdiff
|
tree
2016-06-08
M
a
rk Ab
r
aham
Mer
g
e
b
ran
c
h relea
s
e-5-1 into relea
s
e
-
2016
commit
|
commitdiff
|
tree
2016-06-07
Mar
k
A
br
a
ham
Re-
a
dd support for l
i
nking agains
t
ext
e
rnal TinyXML-2
commit
|
commitdiff
|
tree
2016-06-07
Ma
r
k Abraham
Updates to
d
oc
u
menta
t
io
n
commit
|
commitdiff
|
tree
2016-06-02
Mark
Abraham
Fix co
m
pa
t
ibility
with olde
r
CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
M
a
ke more CMake var
i
ables advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Ignore
stderr whe
n
detectin
g
SIMD and
build info
commit
|
commitdiff
|
tree
2016-05-31
Mark
A
braham
Fix re
f
erence
t
o vmdio
.
c t
o
b
e
vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
M
ark Ab
r
aham
Seco
n
d
2
016 beta release
commit
|
commitdiff
|
tree
2016-05-29
Mark Abraham
Simplified and
updat
e
d
O
penC
L
compilation
commit
|
commitdiff
|
tree
2016-05-27
Mark Abraham
Fix
reading of bonded tables
commit
|
commitdiff
|
tree
2016-05-26
Mark Abraham
Ne
w
quote
commit
|
commitdiff
|
tree
2016-05-26
Mar
k
Abraham
M
erge branc
h
rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-05-12
Ma
r
k Abraham
Merge branch re
l
ease-5-1 into release
-
2
0
16
commit
|
commitdiff
|
tree
2016-05-12
Mark Ab
r
aham
GROMACS 2016 b
e
ta1 rele
a
se
commit
|
commitdiff
|
tree
2016-05-10
M
ark A
b
raham
Bump
c
lang st
a
ti
c
an
a
lyzer to v
e
r
s
ion
3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
M
i
no
r
u
p
date to sphinx d
e
pen
d
ency
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Facilitate linking with libcxx
commit
|
commitdiff
|
tree
2016-05-08
Mark A
b
raham
Fi
x
es for
c
lang 3
.
7 on PowerPC
commit
|
commitdiff
|
tree
2016-05-08
Mark
A
b
r
ah
a
m
Fix
c
o
ns
t
ants, un
i
ts and conve
r
sion factors
commit
|
commitdiff
|
tree
2016-04-27
M
ark
A
braham
Merge
b
ranch re
l
e
a
se-5-1
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Replac
e
libxm
l
2 with
tinyxml2 for use i
n
t
e
st code
commit
|
commitdiff
|
tree
2016-04-19
M
ark Abra
h
am
Fix parse_
d
i
gits_f
r
om_string
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Fix mdp la
b
el
gene
r
ation
commit
|
commitdiff
|
tree
2016-04-18
Ma
r
k Abraham
Reduce compilati
o
n c
o
u
pling of SIM
D
m
odule
commit
|
commitdiff
|
tree
2016-04-14
Mark Abrah
a
m
Merge b
r
anch
r
elease-5-1
commit
|
commitdiff
|
tree
2016-04-01
Mark Abraham
Revert to treati
n
g -
1
as "generat
e
a seed" in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
Ma
r
k Abraham
Add test an
d
im
p
r
ove
d
docs for
custom checkSequence
commit
|
commitdiff
|
tree
2016-03-30
Mar
k
Abraham
Clean
u
p vsi
t
e cod
e
commit
|
commitdiff
|
tree
2016-03-19
M
a
r
k Abr
a
ham
Add more c
o
nst co
r
r
ectness
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Fix warning
from
GCC 6
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
I
m
proved some
m
drun integratio
n
tests
commit
|
commitdiff
|
tree
2016-03-18
Mark A
b
raham
Warn about OpenMPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark A
b
rah
a
m
Fix typ
o
in Fou
r
ier dihedral equation
commit
|
commitdiff
|
tree
2016-03-15
Mark Abraham
Merge
branch
r
elease-5-0 into r
e
lease-
5
-1
commit
|
commitdiff
|
tree
next