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Updated use of gcc-5 specifiers
2017-05-15
Mark Abra
h
am
Upd
a
ted us
e
of g
c
c
-
5
spec
i
fiers
commit
|
commitdiff
|
tree
2017-05-09
Ma
r
k Abr
a
h
am
Fix formatting of MKL cmake docs
commit
|
commitdiff
|
tree
2017-04-17
Ma
r
k Abraham
Propose a p
o
st-submit ma
t
rix
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix param
e
te
r
d
e
scrip
t
ion for
d
ihedral
_
restra
i
nts
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraha
m
Add
s
ection to us
e
r guide for
m
anag
i
ng simulatio
n
s
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraham
Fix s
t
ring handling for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
B
u
m
ped version to prepare for next patch rele
a
s
e
commit
|
commitdiff
|
tree
2017-03-13
Ma
r
k Abraha
m
Version 2
0
16
.
3
commit
|
commitdiff
|
tree
2017-03-07
Mark Abrah
a
m
Fix minor issues in gm
x
traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
Mark
Abraham
Fixes for xl compilers 13
.
1
.
5
on P
o
w
e
r8
commit
|
commitdiff
|
tree
2017-02-15
Mark Abraham
Me
r
ge branch rele
a
se
-
5
-
1 into re
l
ease
-
2
0
1
6
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
F
i
x han
d
ling
o
f previous
v
irials
commit
|
commitdiff
|
tree
2017-02-10
Mark A
b
r
a
h
am
Co
r
rected output of gmx do_d
s
s
p -sc
commit
|
commitdiff
|
tree
2017-02-08
Mark
A
b
raham
R
e
move docs f
o
r
un
i
mplemented trjconv -clustercente
r
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
aham
Bumped ve
r
sion to p
r
epare for next patch release
commit
|
commitdiff
|
tree
2017-02-07
Mark Abr
a
ham
In
t
ro
d
uced system
preparatio
n
section
t
o user guide
commit
|
commitdiff
|
tree
2017-02-07
M
ar
k
A
braham
Version 20
1
6
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mar
k
Abraham
M
e
rge branch releas
e
-
5
-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2017-02-02
Ma
r
k Abraham
C
larify use o
f
t
au-p and p
c
oupltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Ab
r
aham
Me
r
ge bra
n
ch relea
s
e-5-1 int
o
release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix mult
i
-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark
A
bra
h
a
m
D
o
n
't print
invalid performance data
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
F
i
xed g
m
x
rm
s
f -q -oq
.
commit
|
commitdiff
|
tree
2017-01-04
Mark Abra
h
am
Stop trying to use objdump -
-
reloc o
n
M
ac
commit
|
commitdiff
|
tree
2017-01-03
M
ark Abra
h
am
M
e
rge
b
ra
n
ch re
l
ease-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraha
m
Correct
e
d doc
u
mentation about eige
n
value
handling
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk Abraham
I
m
prove b
u
il
d
system
for plugin
s
upport
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Handle warni
n
p
correctly in xpm2
p
s and
m
embed
commit
|
commitdiff
|
tree
2016-12-14
M
a
rk Ab
r
aham
Fix misleading
p
aralle
l
iza
t
ion
d
ocs for gmx wha
m
commit
|
commitdiff
|
tree
2016-12-09
Mark Ab
r
aham
Fix logi
c
of TRR re
a
ding
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix memory handling in
g
mx dump o
f
TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mar
k
Abraham
R
e
m
ov
e
undue narrowing of integer
i
n TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Abra
h
am
Fix minor trjconv
b
ug
commit
|
commitdiff
|
tree
2016-10-28
Mark Abra
h
am
Bump
e
d
ve
r
sion to
prepare for next patc
h
rele
a
se
commit
|
commitdiff
|
tree
2016-10-28
Ma
r
k Abraham
Versi
o
n 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Upda
t
e inst
a
ll guide
commit
|
commitdiff
|
tree
2016-10-18
Mar
k
Abr
a
ham
F
ix SIMD sugges
t
ion for VMX
commit
|
commitdiff
|
tree
2016-10-11
Mark
A
b
r
a
h
a
m
Update for
F
FTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-07
M
a
rk Ab
r
a
ham
Add script for Je
n
kins regressiontest update job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge branch release-5-
1
into release-
2
016
commit
|
commitdiff
|
tree
2016-10-03
Mar
k
Abr
a
ham
R
e
plac
e
use of deprecated readdir_r
commit
|
commitdiff
|
tree
2016-09-08
Mar
k
Abraham
M
erge br
a
nch rele
a
s
e
-5-1
i
nto release-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark Ab
r
a
ha
m
Bumped
patch number to prepare for future 5
.
1
.
5
release
commit
|
commitdiff
|
tree
2016-09-07
Mark Ab
r
aham
V
ersion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
raham
R
e
m
o
ve
d
HIS1 from
o
plsaa
a
nd charmm definitions
commit
|
commitdiff
|
tree
2016-09-07
Mar
k
Abraham
Fi
x
LYN charges in am
b
er03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix am
b
er03 H
I
P charges
commit
|
commitdiff
|
tree
2016-09-06
M
ark
A
b
rah
a
m
Work around
g
libc
2
.
23 with C
U
DA
commit
|
commitdiff
|
tree
2016-08-27
Ma
r
k
Abraham
Stop u
s
ing gmx_fatal i
n
grompp
commit
|
commitdiff
|
tree
2016-08-15
M
a
rk Abraham
F
i
xes
for BG/Q platform file
s
and inst
a
ll gu
i
d
e
commit
|
commitdiff
|
tree
2016-08-12
Mark Abrah
a
m
Bump number to p
r
epare for firs
t
patch release
commit
|
commitdiff
|
tree
2016-08-04
Mark Abraham
Version 20
1
6
commit
|
commitdiff
|
tree
2016-07-29
Mark
A
braham
Impro
v
e handling of
g
m
ock and gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Merge branch
r
eleas
e
-5-
1
into
r
elease-201
6
commit
|
commitdiff
|
tree
2016-07-28
Mark Abr
a
ham
Add tool
c
h
ain
f
l
a
gs for SSE2
c
omp
i
lation
commit
|
commitdiff
|
tree
2016-07-21
Mark Ab
r
aham
Bumped pat
c
h number to pr
e
pare
f
or futur
e
5
.
1
.
4
release
commit
|
commitdiff
|
tree
2016-07-14
Ma
r
k A
b
raham
Fix
issues
w
ith usin
g
int
for number
o
f steps
commit
|
commitdiff
|
tree
2016-07-13
M
ark
A
braham
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Ma
r
k Abraham
Fix trr mag
i
c number r
e
ading
commit
|
commitdiff
|
tree
2016-07-11
M
ar
k
Abraham
Fix gmx mdrun
-membed
-nt
m
pi
-
1
commit
|
commitdiff
|
tree
2016-07-11
Mark
Ab
r
aham
Fix regress
i
o
nt
e
st download md5su
m
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
First 2
0
1
6
r
ele
a
se candidat
e
commit
|
commitdiff
|
tree
2016-07-08
Mark
Abraham
Merge
branch rel
e
a
s
e-5-1
i
n
to
release-2016
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Simplify
S
I
MD comp
i
ler flag construct
i
on
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Move consis
t
ency check for number of thre
a
ds
commit
|
commitdiff
|
tree
2016-07-07
M
ark A
b
r
a
ham
Fix build if libcu
d
a is
f
ound but nvcc
i
s
n
ot
commit
|
commitdiff
|
tree
2016-07-04
M
a
rk Abraham
Fixes for Power7 big-en
d
ian
commit
|
commitdiff
|
tree
2016-07-01
M
a
rk
A
braham
Fix use of
_
POS
I
X_TH
R
EAD*
commit
|
commitdiff
|
tree
2016-06-30
M
ark Abr
a
ham
Merge branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-29
M
ark A
b
raham
Refa
c
tor
sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
Mar
k
Ab
r
aham
W
o
rk aro
u
nd g
l
ib
c
2
.
23 with C
U
DA
commit
|
commitdiff
|
tree
2016-06-28
Mark Ab
r
aham
U
pdate to include a gcc
6
.
1
c
on
f
iguration
commit
|
commitdiff
|
tree
2016-06-28
Mark Ab
r
aham
Fix
S
IMD configu
r
ation management
commit
|
commitdiff
|
tree
2016-06-27
Mark A
b
raham
Re
m
o
ved
u
nnecessary inte
r
-simulation signalling
commit
|
commitdiff
|
tree
2016-06-27
M
a
r
k Abraham
Mer
g
e branch release-5-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Allow use of ex
t
e
rnal lmfi
t
package
commit
|
commitdiff
|
tree
2016-06-23
Mark Ab
r
aham
Prevent
use of mdr
u
n -maxh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mark
A
braham
Fix con
f
igura
t
ion-time
c
p
uinfo co
d
e
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Merg
e
branch rel
e
as
e
-5-1 into re
l
ease-2016
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k
Abraham
A
d
just a
n
d document C++1
1
compi
l
er tests
commit
|
commitdiff
|
tree
2016-06-20
Mark Abraham
U
p
date p
r
e-submit matr
i
x
c
ont
e
nts
commit
|
commitdiff
|
tree
2016-06-19
Mark A
b
r
ah
a
m
I
mprove docs fo
r
l
inking stdl
i
bc
+
+ needed by i
c
c
commit
|
commitdiff
|
tree
2016-06-17
Ma
r
k Abraham
Merge branch rel
e
ase
-
5-1 into r
e
lea
s
e-
2
016
commit
|
commitdiff
|
tree
2016-06-17
M
a
rk Abraham
Fix
m
ult
i
-sim + D
D
+ simp
l
e di
s
tance restraints
commit
|
commitdiff
|
tree
2016-06-10
M
a
rk Abraham
Find
p
ython for d
o
cs build quietly
commit
|
commitdiff
|
tree
2016-06-08
Mark Abraham
M
e
rge bran
c
h releas
e
-5-1
into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Re-
a
dd support fo
r
linking again
s
t exter
n
al T
i
n
y
XML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Upd
a
tes to doc
u
mentation
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Fix compa
t
ib
i
lity with old
e
r CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark A
b
raham
Make mor
e
CMake
variables advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Ignore stderr wh
e
n dete
c
ting SIMD and bu
i
ld info
commit
|
commitdiff
|
tree
2016-05-31
M
ark A
b
raham
Fix ref
e
rence to vmdio
.
c to be vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark Abra
h
am
Second
2016 beta re
l
e
ase
commit
|
commitdiff
|
tree
2016-05-29
Mark Abraham
Simpli
f
ied an
d
u
p
dated OpenCL compilation
commit
|
commitdiff
|
tree
2016-05-27
Mark
Abraham
Fix read
i
ng of bond
e
d
t
a
b
les
commit
|
commitdiff
|
tree
2016-05-26
Mark
A
braham
New quo
t
e
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
Merge branc
h
release-
5
-1
into release-201
6
commit
|
commitdiff
|
tree
2016-05-12
Mar
k
Abraham
GROMACS 20
1
6
beta1 rele
a
se
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Bump clang static analyz
e
r to version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Minor u
p
date to s
p
h
i
nx dependency
commit
|
commitdiff
|
tree
next