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Fix string handling for gcc 7
2017-03-19
Mark Abraham
Fix string handling
f
o
r gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Ab
r
a
h
am
Bumped version to prepare
f
o
r
next patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark
Abraham
Versi
o
n 20
1
6
.
3
commit
|
commitdiff
|
tree
2017-03-07
Mark
Abr
a
ham
F
i
x
minor i
s
su
e
s in gm
x
traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
Mark Abrah
a
m
Fixes f
o
r
xl
c
ompilers 13
.
1
.
5
o
n Power8
commit
|
commitdiff
|
tree
2017-02-15
Mark Abra
h
am
M
e
r
g
e branch release-5-1 into release
-
2
016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
F
i
x handling of previous viria
l
s
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraham
Corrected output of gmx do_dssp
-sc
commit
|
commitdiff
|
tree
2017-02-08
M
ark Abraham
Remove
d
o
cs for unimplemented trjconv -clust
e
rcente
r
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k Abraham
Bumped vers
i
on to
prepare
for nex
t
patch relea
s
e
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Introdu
c
e
d system
prep
a
ration
sect
i
on to
u
ser gu
i
de
commit
|
commitdiff
|
tree
2017-02-07
Mark Abr
a
ham
Version
201
6
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
a
rk Abraham
Me
r
ge branc
h
r
e
lease-5-1 i
n
to release-2016
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraham
Clarify use
of tau-p a
n
d pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
M
ark Abraham
Merge branch
r
e
l
ease-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
F
i
x multi-domain re
r
uns
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Don't print invalid performance data
commit
|
commitdiff
|
tree
2017-01-22
Mark Abra
h
am
F
i
xed g
m
x rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraha
m
S
t
op trying
t
o use objdump --reloc on
M
a
c
commit
|
commitdiff
|
tree
2017-01-03
M
ark Ab
r
aham
M
erg
e
br
a
nch rele
a
se-5-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corrected docum
e
nt
a
t
ion abou
t
eigenv
a
l
ue handlin
g
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraha
m
Improv
e
bu
i
ld system for plugi
n
sup
p
o
rt
commit
|
commitdiff
|
tree
2016-12-15
Mark
A
br
a
h
am
Han
d
l
e
war
n
inp
correctly
i
n xpm2
p
s and membed
commit
|
commitdiff
|
tree
2016-12-14
M
ark Abraham
F
ix
misleadi
n
g paral
l
elization docs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Fix lo
g
ic of TRR reading
commit
|
commitdiff
|
tree
2016-12-07
Mark Ab
r
ah
a
m
Fi
x
memory ha
n
dling in gmx dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark Ab
r
a
ham
R
e
move u
n
due narro
w
ing of intege
r
in TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Fix minor trjconv
b
ug
commit
|
commitdiff
|
tree
2016-10-28
M
a
rk Abraham
B
um
p
ed v
e
r
s
ion to pre
p
a
r
e for
next
patch release
commit
|
commitdiff
|
tree
2016-10-28
Mark Abrah
a
m
Ve
r
sion 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update i
n
stall guide
commit
|
commitdiff
|
tree
2016-10-18
Mar
k
A
b
rah
a
m
Fix SIMD suggestion
f
or VMX
commit
|
commitdiff
|
tree
2016-10-11
Ma
r
k Abra
h
a
m
Upd
a
te
f
or F
F
TW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-07
Mark Abr
a
ha
m
Add
s
cr
i
pt for Jenki
n
s regressiont
e
st upd
a
te job
commit
|
commitdiff
|
tree
2016-10-03
Mark A
b
raham
Merge branch rel
e
ase-5-1 i
n
t
o rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Replace use of deprecated rea
d
di
r
_r
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
M
erge branc
h
release-5-1
into release-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark
A
braham
Bumped
p
atch number to prepare for futur
e
5
.
1
.
5
release
commit
|
commitdiff
|
tree
2016-09-07
Ma
r
k
Abraham
V
e
rsion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark
Abr
a
ham
Re
m
oved HIS1 from oplsaa and c
h
ar
m
m
d
ef
i
n
iti
o
ns
commit
|
commitdiff
|
tree
2016-09-07
Mark
Abraham
Fix LYN charg
e
s in a
m
ber
0
3
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix amber03 HIP c
h
arges
commit
|
commitdiff
|
tree
2016-09-06
Ma
r
k Abraham
Work
a
ro
u
nd glibc 2
.
2
3
with C
U
DA
commit
|
commitdiff
|
tree
2016-08-27
Mark A
b
raham
Stop using gm
x
_fatal in gromp
p
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
Fix
e
s for BG/Q
p
l
a
tform
files and install guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Abraham
Bump num
b
e
r
t
o prepare for first patch rele
a
se
commit
|
commitdiff
|
tree
2016-08-04
Mark Abraham
Version
2016
commit
|
commitdiff
|
tree
2016-07-29
Mark
Abr
a
ham
Im
p
r
o
ve handling of gmock and
gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mar
k
Abra
h
am
Merge branch release-5-1
into release-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark Ab
r
ah
a
m
Add toolchai
n
flags for S
S
E
2 compilation
commit
|
commitdiff
|
tree
2016-07-21
Mark Abraham
Bumpe
d
p
atch number to p
r
epare f
o
r future 5
.
1
.
4 release
commit
|
commitdiff
|
tree
2016-07-14
M
ark Abraham
Fix issues wit
h
using int for number of steps
commit
|
commitdiff
|
tree
2016-07-13
M
a
r
k
A
braha
m
V
ersi
o
n
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark
A
b
raham
Fix
trr
magic number readi
n
g
commit
|
commitdiff
|
tree
2016-07-11
Mar
k
A
b
r
aham
Fix gmx
mdru
n
-
m
embed
-
ntmpi
-1
commit
|
commitdiff
|
tree
2016-07-11
Mar
k
Abraham
Fix
regressiontest
download
m
d
5
s
u
m
commit
|
commitdiff
|
tree
2016-07-09
Mark Abrah
a
m
First 2016 relea
s
e candidate
commit
|
commitdiff
|
tree
2016-07-08
M
ark Abraham
Merge
b
r
anc
h
release-5-1
into release-2016
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Simplify SIM
D
c
ompiler flag constructio
n
commit
|
commitdiff
|
tree
2016-07-07
M
a
r
k
Abraham
Move consiste
n
cy check fo
r
n
umber o
f
threads
commit
|
commitdiff
|
tree
2016-07-07
Mark A
b
ra
h
am
Fix
b
uild if
l
i
bcuda
i
s found
b
ut
n
vcc is not
commit
|
commitdiff
|
tree
2016-07-04
Mar
k
Abraham
Fixes for Powe
r
7 big-endia
n
commit
|
commitdiff
|
tree
2016-07-01
Mark Ab
r
ah
a
m
Fix use of
_
POSIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark Ab
r
aham
Merge b
r
an
c
h release-5
-
1 into rel
e
ase-
2
016
commit
|
commitdiff
|
tree
2016-06-29
M
ark A
b
raham
Refa
c
t
o
r sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
M
ark Abraham
Work around glibc 2
.
23 with
C
UD
A
commit
|
commitdiff
|
tree
2016-06-28
Mark Abrah
a
m
Updat
e
to include a gcc 6
.
1 conf
i
gur
a
tion
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
F
i
x
S
IMD
c
onfiguration m
a
na
g
ement
commit
|
commitdiff
|
tree
2016-06-27
Mark
A
braham
R
emoved
u
n
n
ecessary inter-simulation
s
ig
n
al
l
ing
commit
|
commitdiff
|
tree
2016-06-27
Mark Abr
a
ham
Merge branch release-5-1 into re
l
e
ase-
2
016
commit
|
commitdiff
|
tree
2016-06-23
Mar
k
Abraham
Allow
use of ext
e
rnal lmfit package
commit
|
commitdiff
|
tree
2016-06-23
Mark
A
braham
Prevent use of mdrun -maxh -multi
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k Abr
a
ham
Fix conf
i
gurati
o
n-time cpuinfo code
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k
Abra
h
am
Merge br
a
nch relea
s
e-5-1
into release
-
2016
commit
|
commitdiff
|
tree
2016-06-22
Mark
Abr
a
ham
Ad
j
u
s
t and doc
u
ment C++11 compi
l
e
r
tests
commit
|
commitdiff
|
tree
2016-06-20
M
a
rk
A
braham
Upd
a
te pre-submit m
a
trix contents
commit
|
commitdiff
|
tree
2016-06-19
M
ark
A
b
r
aham
Imp
r
ove docs
for link
i
ng stdlibc+
+
needed by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
M
e
rge b
r
anch rele
a
se-5-1
i
nto
r
elease-2016
commit
|
commitdiff
|
tree
2016-06-17
M
a
rk Abraham
Fix mult
i
-s
i
m + D
D
+ simple distance rest
r
aints
commit
|
commitdiff
|
tree
2016-06-10
Mark
Abraham
F
i
nd
p
ython for docs
build quietly
commit
|
commitdiff
|
tree
2016-06-08
Mark Abraham
Merge bran
c
h release-5-1 into release
-
2
0
16
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Re-a
d
d
su
p
p
o
rt for li
n
king against exte
r
n
a
l T
i
n
y
XML-2
commit
|
commitdiff
|
tree
2016-06-07
Ma
r
k Abraham
Updates to do
c
u
m
e
ntation
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Fix
compatib
i
lity
with older C
M
ake
commit
|
commitdiff
|
tree
2016-06-02
M
ark Abraha
m
Make
m
o
r
e C
M
a
k
e variables advanc
e
d
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Ig
n
ore stderr wh
e
n dete
c
ting SIMD and
b
uild info
commit
|
commitdiff
|
tree
2016-05-31
M
a
rk
A
br
a
ham
Fix reference to vmd
i
o
.
c to be vmdi
o
.
c
p
p
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
S
econd 2016 beta release
commit
|
commitdiff
|
tree
2016-05-29
Mark Abraham
Simplified
a
nd upd
a
ted OpenCL compilation
commit
|
commitdiff
|
tree
2016-05-27
Mark
Abra
h
am
Fix reading
o
f bon
d
ed
t
ables
commit
|
commitdiff
|
tree
2016-05-26
Mark Abraham
New quote
commit
|
commitdiff
|
tree
2016-05-12
Mar
k
A
braham
Me
r
g
e branch
release-5-1 into release-201
6
commit
|
commitdiff
|
tree
2016-05-12
Mark
Abra
h
am
GROMAC
S
2016
b
eta
1
release
commit
|
commitdiff
|
tree
2016-05-10
Mar
k
Abraham
Bu
m
p c
l
a
n
g
static analy
z
er to version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
M
a
rk Ab
r
aham
Minor
u
pdate to sphinx
dependency
commit
|
commitdiff
|
tree
2016-05-10
Mark Abr
a
ham
Facilitate l
i
nki
n
g wi
t
h
l
i
bcxx
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraham
Fix
e
s for
clang 3
.
7 on PowerPC
commit
|
commitdiff
|
tree
2016-05-08
Mark
A
braham
Fix c
o
nstants, unit
s
a
n
d conversion fact
o
r
s
commit
|
commitdiff
|
tree
2016-04-27
Ma
r
k Ab
r
aham
M
e
rge
b
ranch rel
e
ase-5-1
commit
|
commitdiff
|
tree
2016-04-19
Mar
k
Abraham
Replace libxml
2
with
t
inyxml
2
f
or use
in
t
est code
commit
|
commitdiff
|
tree
next