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Replace misnamed nbnxn_gpu_acceleration_supported
2016-09-07
Mark Abrah
a
m
Version 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk
Abraham
R
e
m
o
ved
H
IS1 from opls
a
a an
d
c
harmm def
i
n
i
tion
s
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abraham
Fix LYN charges i
n
amb
e
r03
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk
Abra
h
am
Fix amber03 HI
P
charges
commit
|
commitdiff
|
tree
2016-09-06
Mark Abr
a
ham
Wor
k
a
round
g
l
i
bc
2
.
23 with CUDA
commit
|
commitdiff
|
tree
2016-08-27
Mark Abr
a
ham
St
o
p using gmx_f
a
tal
in gr
o
m
pp
commit
|
commitdiff
|
tree
2016-08-24
Mark Abrah
a
m
R
e
move hacks f
o
r outdated BlueGene support
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraha
m
Merge branc
h
re
l
e
ase-2016
commit
|
commitdiff
|
tree
2016-08-15
Ma
r
k Abraham
Fixe
s
for BG/Q platform
fil
e
s and install guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Abra
h
am
Bump number
to prepare for first patch
release
commit
|
commitdiff
|
tree
2016-08-04
Mark A
b
raham
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Improv
e
h
andling of gmock and gcc6
commit
|
commitdiff
|
tree
2016-07-29
M
a
r
k
Abraham
Merge branch rel
e
ase-5-1 into rel
e
as
e
-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark Abrah
a
m
Add t
o
o
l
chain flags for SSE
2
compilation
commit
|
commitdiff
|
tree
2016-07-21
Mar
k
Abraham
Bumped patch number to
p
repa
r
e f
o
r future 5
.
1
.
4 re
l
ease
commit
|
commitdiff
|
tree
2016-07-14
M
a
rk Abraha
m
F
ix
issues with usi
n
g
in
t
for nu
m
b
e
r of
steps
commit
|
commitdiff
|
tree
2016-07-13
Ma
r
k Abraham
V
e
r
s
ion 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
M
ark Abr
a
ham
Merge branch rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
F
i
x
trr magic number
reading
commit
|
commitdiff
|
tree
2016-07-11
M
a
rk
Abraham
Fix gmx mdrun -membed
-
ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
M
ark Ab
r
aham
Fix regressiontest dow
n
load md5su
m
commit
|
commitdiff
|
tree
2016-07-09
Mark Ab
r
ah
a
m
First 2
0
16 releas
e
c
a
ndi
d
ate
commit
|
commitdiff
|
tree
2016-07-08
Mark
Abraha
m
Merge
b
r
a
n
ch release-5-1 into release-
2
016
commit
|
commitdiff
|
tree
2016-07-08
Mark Abra
h
a
m
Simplify SIMD compi
l
er f
l
ag c
o
nstru
c
t
i
o
n
commit
|
commitdiff
|
tree
2016-07-07
Mark
Abraham
Move consistency check f
o
r num
b
er of threads
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraha
m
Fix build if
libcuda is found
b
u
t nvcc i
s
not
commit
|
commitdiff
|
tree
2016-07-04
Ma
r
k Abraham
Fixes for Power7 big-endi
a
n
commit
|
commitdiff
|
tree
2016-07-01
M
ark A
b
raham
Fix
u
se
of
_
POSIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark A
b
ra
h
am
Merge branch
re
l
ease-5-1 into release
-
2
016
commit
|
commitdiff
|
tree
2016-06-29
M
a
rk
A
brah
a
m
Refactor sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
Mark Ab
r
ah
a
m
Work aroun
d
glibc 2
.
23 with CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Update to include a gcc 6
.
1
config
u
rat
i
on
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Fix SIM
D
confi
g
uration
m
ana
g
ement
commit
|
commitdiff
|
tree
2016-06-27
Mark Abra
h
am
Removed un
n
e
c
e
ssa
r
y
inter
-
sim
u
lation signall
i
n
g
commit
|
commitdiff
|
tree
2016-06-27
Ma
r
k Abra
h
a
m
Me
r
ge
b
r
anch release-5-1
into release-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Merge
b
ra
n
ch releas
e
-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark
Abraham
A
l
low use
of externa
l
lmfit pac
k
ag
e
commit
|
commitdiff
|
tree
2016-06-23
Mark
A
braham
Prevent use of m
d
r
u
n -maxh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mar
k
Abraham
Fix configur
a
tion
-
time
c
puinfo code
commit
|
commitdiff
|
tree
2016-06-22
Mark A
b
raham
M
erge
branc
h
release-5-1 into
relea
s
e-2016
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k Abraham
Adjust and d
o
cume
n
t C++11
c
ompile
r
tests
commit
|
commitdiff
|
tree
2016-06-20
Ma
r
k Abr
a
ham
Update pre-submit matri
x
contents
commit
|
commitdiff
|
tree
2016-06-19
M
a
rk Abraham
Improve
d
o
cs fo
r
l
i
nking stdlibc++ needed by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abrah
a
m
M
erge branch
r
elease
-
5-1 int
o
rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-06-17
Mark A
b
rah
a
m
Fix multi-sim
+ DD + simple distance restrain
t
s
commit
|
commitdiff
|
tree
2016-06-10
Mark Abraham
Find python
f
or docs bu
i
ld quietly
commit
|
commitdiff
|
tree
2016-06-08
Ma
r
k A
b
rah
a
m
M
e
r
g
e branch release-5-
1
into release-2016
commit
|
commitdiff
|
tree
2016-06-07
M
ark
A
braham
Re-add
su
p
p
o
rt fo
r
linking against ex
t
ernal Tiny
X
ML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Upd
a
tes to
d
ocumentation
commit
|
commitdiff
|
tree
2016-06-02
M
a
rk Abraha
m
Fi
x
compatibility
with old
e
r CMake
commit
|
commitdiff
|
tree
2016-06-02
Ma
r
k Abr
a
ham
M
a
ke more CMake variables advanc
e
d
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Ignore stderr when detecting
S
IMD and buil
d
info
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
F
i
x r
e
feren
c
e to vm
d
io
.
c t
o
be vmdio
.
cp
p
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
Sec
o
nd 20
1
6 beta release
commit
|
commitdiff
|
tree
2016-05-29
M
a
rk Abraham
Simplified an
d
updated OpenCL compilati
o
n
commit
|
commitdiff
|
tree
2016-05-27
M
a
rk A
b
raham
F
ix reading of bo
n
d
e
d t
a
ble
s
commit
|
commitdiff
|
tree
2016-05-26
Mark Abrah
a
m
New quote
commit
|
commitdiff
|
tree
2016-05-26
Mark Abraham
Merge branch
r
eleas
e
-2016
commit
|
commitdiff
|
tree
2016-05-12
M
ark A
b
raham
Merge branch rel
e
ase
-
5-1 into
r
ele
a
se-201
6
commit
|
commitdiff
|
tree
2016-05-12
Ma
r
k
Abra
h
am
GROMACS 2016
b
eta1
release
commit
|
commitdiff
|
tree
2016-05-10
Mark
A
b
r
aham
Bump c
l
ang s
t
ati
c
analyzer
t
o version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abrah
a
m
Min
o
r update to s
p
h
inx
dependency
commit
|
commitdiff
|
tree
2016-05-10
M
a
rk
Abraham
Facilitate linking with
l
ibcxx
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraha
m
Fixes f
o
r
clang
3
.
7 on P
o
werPC
commit
|
commitdiff
|
tree
2016-05-08
Mar
k
Abraham
Fi
x
constants, uni
t
s and co
n
v
ersion fa
c
tors
commit
|
commitdiff
|
tree
2016-04-27
Ma
r
k
A
br
a
ham
Merge
b
ranc
h
release-5-1
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Re
p
lace libxml2 with ti
n
yxml2
f
or use
i
n test code
commit
|
commitdiff
|
tree
2016-04-19
M
a
r
k
Abraham
Fix par
s
e_digits_from_string
commit
|
commitdiff
|
tree
2016-04-19
M
a
rk Abraham
F
i
x mdp label g
e
ner
a
tion
commit
|
commitdiff
|
tree
2016-04-18
Mark Abraham
Reduce compilation
cou
p
ling of SIMD module
commit
|
commitdiff
|
tree
2016-04-14
Mark Abr
a
ham
Merge bran
c
h release-5-1
commit
|
commitdiff
|
tree
2016-04-01
Mark Abraham
Rev
e
rt to treating -
1
as
"genera
t
e
a
s
e
ed" in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
M
a
r
k
Abraham
Ad
d
tes
t
an
d
i
m
proved doc
s
for cus
t
om checkSequence
commit
|
commitdiff
|
tree
2016-03-30
Mark Abrah
a
m
Clean up vsite code
commit
|
commitdiff
|
tree
2016-03-19
M
ark Abraham
Add mo
r
e con
s
t
c
o
r
rectness
commit
|
commitdiff
|
tree
2016-03-19
Mark
A
braham
Fix warnin
g
from GCC 6
commit
|
commitdiff
|
tree
2016-03-19
Mark Abr
a
ham
Improved some
m
drun
integratio
n
t
e
sts
commit
|
commitdiff
|
tree
2016-03-18
Ma
r
k Abra
h
am
Wa
r
n a
b
out
O
penMPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark Abraham
Fix typo in Fo
u
rier
d
ihedral e
q
ua
t
io
n
commit
|
commitdiff
|
tree
2016-03-15
Mark Abraham
Merge br
a
nch re
l
ease-5-0 into rel
e
ase-5-
1
commit
|
commitdiff
|
tree
2016-03-12
Mark Abraha
m
U
p
date
u
se of
isnan in line
a
ra
l
gebra
commit
|
commitdiff
|
tree
2016-03-12
Mark Abraham
Find hw
l
o
c qu
i
etly if
it
'
s alre
a
dy b
e
en found
commit
|
commitdiff
|
tree
2016-03-11
M
ark Abraham
A
d
d infr
a
structure for tests to compare mdr
u
ns
commit
|
commitdiff
|
tree
2016-03-11
Mark Abraha
m
M
erge branch rele
a
s
e-
5
-0 into
release-5-
1
commit
|
commitdiff
|
tree
2016-03-10
M
a
rk Ab
r
aham
Requir
e
2015 ve
r
sion for MS
V
C
commit
|
commitdiff
|
tree
2016-03-05
Mark Abra
h
am
Add
SETTLE u
n
i
t
test
s
commit
|
commitdiff
|
tree
2016-02-26
Mark
Abraham
Separated test of CDATA end tag
handli
n
g
from ot
h
e
rs
commit
|
commitdiff
|
tree
2016-02-23
Mark Abraham
Repla
c
e cppc
h
ec
k
sup
p
ressio
n
in
c
heck
p
oin
t
c
o
de
commit
|
commitdiff
|
tree
2016-02-22
M
a
rk
A
braha
m
Move init of spec
i
ali
z
ed dyna
m
ical a
l
go
r
i
t
hms to do_md
commit
|
commitdiff
|
tree
2016-02-21
Mark Abraham
Se
p
arate
table const
r
uction
commit
|
commitdiff
|
tree
2016-02-19
Mar
k
Abra
h
am
Merge b
r
anc
h
r
ele
a
se
-
5
-1
commit
|
commitdiff
|
tree
2016-02-19
Mark Abrah
a
m
Make both ftp and ht
t
p links for source downl
o
ad
commit
|
commitdiff
|
tree
2016-02-18
Mar
k
Abrah
a
m
Updated reference manua
l
text
about P
M
E tuning
commit
|
commitdiff
|
tree
2016-02-16
Mark
Abraham
Merge branch re
l
ease-5-
0
into
r
elease-5-
1
commit
|
commitdiff
|
tree
2016-02-14
M
a
rk Abraham
Re-generated eps for
figure 4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
Re-remove *_stoch
d
_s
t
ate funct
i
on de
c
larations
commit
|
commitdiff
|
tree
2016-02-10
Mar
k
Abrah
a
m
Improved up
d
ate_coord
s
handling
o
f x
p
rime
commit
|
commitdiff
|
tree
2016-02-10
Mark Abr
a
h
am
Fi
x
issu
e
s to update
cppcheck
support
to 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
Mark
A
braham
M
erge br
a
nch rele
a
se-
5
-
0 into release-5-1
commit
|
commitdiff
|
tree
2016-02-06
Mark Abraha
m
Me
r
ge bra
n
ch release-
5
-1
commit
|
commitdiff
|
tree
next