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Updated use of gcc-5 specifiers
2017-05-15
M
a
rk Abr
a
ham
Up
d
a
t
ed use of gcc-
5
specifiers
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk A
b
raham
Fix form
a
tting of MK
L
cmake docs
commit
|
commitdiff
|
tree
2017-04-17
Mark Abrah
a
m
Propos
e
a p
o
st-submit matrix
commit
|
commitdiff
|
tree
2017-03-29
Mark Ab
r
aham
F
i
x parameter description for d
i
hedral_r
e
st
r
aints
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add sect
i
on t
o
u
s
er guide for managing simu
l
ation
s
commit
|
commitdiff
|
tree
2017-03-19
Mar
k
Abra
h
am
Fi
x
string handling for
gcc 7
commit
|
commitdiff
|
tree
2017-03-14
M
a
rk Abraham
Bumped v
e
rsion to prepare
f
or nex
t
p
atch rele
a
se
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
braham
Version 20
1
6
.
3
commit
|
commitdiff
|
tree
2017-03-07
Ma
r
k Abr
a
ham
Fix min
o
r issues in gmx tra
j
-av -af
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraham
F
ix
e
s for xl compilers 13
.
1
.
5 on
P
ower8
commit
|
commitdiff
|
tree
2017-02-15
Mark Ab
r
aham
Merge bra
n
c
h release-
5
-1 into release-20
1
6
commit
|
commitdiff
|
tree
2017-02-14
M
ark
Abraham
Fix handling o
f
prev
i
ous virials
commit
|
commitdiff
|
tree
2017-02-10
Ma
r
k
Abra
h
am
Co
r
r
e
c
ted ou
t
p
ut
o
f gmx do_dssp -sc
commit
|
commitdiff
|
tree
2017-02-08
Mark Abra
h
am
Re
m
ove docs
for unimplemented trjconv
-
clusterce
n
ter
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
b
raham
B
u
m
p
e
d
version to p
r
epare for next patch r
e
lease
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Introduced
s
yste
m
preparation sec
t
ion to u
s
er guide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
V
er
s
ion 20
1
6
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
a
rk Abraham
Merg
e
branch
r
elease-5-1
into release-
2
016
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraham
Clarify use of
t
a
u
-p and pco
u
pltype
commit
|
commitdiff
|
tree
2017-01-31
Ma
r
k Abraham
M
erge branch release-5-1 int
o
release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark
Abraham
Fix
m
u
lti-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark Ab
r
aham
Don't print invali
d
per
f
o
rm
a
nce dat
a
commit
|
commitdiff
|
tree
2017-01-22
Mar
k
Abrah
a
m
Fixed
g
mx
r
msf -q
-o
q
.
commit
|
commitdiff
|
tree
2017-01-04
Ma
r
k A
b
ra
h
am
Stop trying to use objdum
p
--reloc on Mac
commit
|
commitdiff
|
tree
2017-01-03
Mark
A
braham
Merge
b
r
a
nch release-5-1
into re
l
ease-
2
016
commit
|
commitdiff
|
tree
2016-12-20
M
a
r
k Abra
h
am
C
o
rr
e
cted documentation about eig
e
nvalu
e
hand
l
i
ng
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Imp
r
ove build syste
m
for plugin suppo
r
t
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
H
a
ndle w
a
rninp correctly in xpm2ps
a
nd membed
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
Fix mislea
d
ing paralle
l
i
zatio
n
do
c
s for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Ma
r
k Abraha
m
Fix logi
c
of TRR
r
eading
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix
m
emory handling in gmx dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark Abr
a
ha
m
Remove undue
n
ar
r
owing of integer
i
n TNG re
a
din
g
commit
|
commitdiff
|
tree
2016-12-01
M
ark Abraham
Fix mi
n
o
r
tr
j
c
onv bug
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraha
m
B
u
m
p
ed versi
o
n
t
o prepa
r
e
f
or next patch release
commit
|
commitdiff
|
tree
2016-10-28
Mar
k
Abraham
Versi
o
n 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update
install guide
commit
|
commitdiff
|
tree
2016-10-18
M
a
r
k Abr
a
ham
F
ix
S
IMD suggesti
o
n for VMX
commit
|
commitdiff
|
tree
2016-10-11
M
ark A
b
raham
Updat
e
for FFTW
3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-07
Mark A
b
raham
Add
s
cript for Jenkins
regress
i
onte
s
t upda
t
e job
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
b
raham
Merge branch relea
s
e
-
5-1 int
o
release
-
2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
R
e
pl
a
ce use
of
deprecated
read
d
i
r
_
r
commit
|
commitdiff
|
tree
2016-09-08
M
ark Abraham
Merge branch
releas
e
-5
-
1
int
o
re
l
ease-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraha
m
Bu
m
ped pat
c
h n
u
mber to pre
p
are
for future 5
.
1
.
5
release
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
V
e
rsi
o
n 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abra
h
am
Remove
d
HIS1
from oplsaa an
d
c
h
a
rmm definitions
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix
L
Y
N
c
harges in amb
e
r03
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
raham
Fix
a
mb
e
r03 H
I
P charges
commit
|
commitdiff
|
tree
2016-09-06
Mark A
b
raham
Wor
k
a
r
ound glibc
2
.
2
3
with
C
U
D
A
commit
|
commitdiff
|
tree
2016-08-27
M
a
rk A
b
rah
a
m
Stop using gmx
_
fatal
in grompp
commit
|
commitdiff
|
tree
2016-08-15
Mark A
b
raham
Fixes for BG/Q platfor
m
fi
l
es and ins
t
all g
u
i
de
commit
|
commitdiff
|
tree
2016-08-12
Mark
Abraham
Bu
m
p
n
u
mb
e
r to
pr
e
pare for first patch release
commit
|
commitdiff
|
tree
2016-08-04
M
ark Abr
a
ha
m
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
I
m
prov
e
handling o
f
g
mock
a
n
d
g
cc6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abrah
a
m
Me
r
ge
b
r
anch
r
elease-5-1
into re
l
ease-2
0
16
commit
|
commitdiff
|
tree
2016-07-28
Mark Abraha
m
Add to
o
lchain flags
f
or SSE2 compilat
i
on
commit
|
commitdiff
|
tree
2016-07-21
Mark Abraham
Bu
m
ped patc
h
num
b
er to pr
e
pare fo
r
fu
t
ure 5
.
1
.
4 r
e
lease
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
F
i
x
iss
u
e
s with using i
n
t for nu
m
b
er o
f
steps
commit
|
commitdiff
|
tree
2016-07-13
M
a
rk Ab
r
aham
Versio
n
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
Fix trr magic
n
u
mber
r
e
a
d
in
g
commit
|
commitdiff
|
tree
2016-07-11
Ma
r
k
Abraham
Fix gmx
mdrun -
m
embed -ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
Mark
Abraham
Fix regressiontest download md5sum
commit
|
commitdiff
|
tree
2016-07-09
Mark Ab
r
aham
First 2016 r
e
l
e
ase
cand
i
date
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraha
m
M
e
r
g
e branch rele
a
se-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-07-08
Mar
k
A
braham
S
i
mpli
f
y
SIMD compiler flag c
o
nst
r
u
c
tion
commit
|
commitdiff
|
tree
2016-07-07
M
a
rk A
b
raham
Move consiste
n
cy check for numbe
r
o
f threa
d
s
commit
|
commitdiff
|
tree
2016-07-07
Mark
Abraha
m
Fix bu
i
ld
i
f libcuda
is foun
d
but nvc
c
is not
commit
|
commitdiff
|
tree
2016-07-04
Ma
r
k Abraham
Fixes f
o
r
P
ow
e
r7
big-endian
commit
|
commitdiff
|
tree
2016-07-01
M
ark A
b
raham
Fix use
o
f _POSI
X
_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mar
k
Abraham
Merge
branch
r
elease-5-1
into re
l
ease-2016
commit
|
commitdiff
|
tree
2016-06-29
Ma
r
k Abraham
R
e
f
act
o
r sysc
o
nf
c
h
eck
i
ng
commit
|
commitdiff
|
tree
2016-06-29
Ma
r
k
Abrah
a
m
Wo
r
k around glibc 2
.
23 with CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Update to include a gcc 6
.
1 configuration
commit
|
commitdiff
|
tree
2016-06-28
Mark
A
br
a
ham
Fix SIMD
c
onfiguration ma
n
ageme
n
t
commit
|
commitdiff
|
tree
2016-06-27
M
a
rk
A
b
r
a
ham
Removed u
n
n
e
ces
s
ary inter-simulation signalling
commit
|
commitdiff
|
tree
2016-06-27
Mark Abrah
a
m
Me
r
ge
branc
h
releas
e
-5-1
into r
e
l
e
ase-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Allow u
s
e of external lm
f
it pack
a
ge
commit
|
commitdiff
|
tree
2016-06-23
Mark Abra
h
am
P
revent u
s
e of mdrun -m
a
xh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mark
A
braham
Fix configu
r
ation-t
i
me
c
pui
n
fo code
commit
|
commitdiff
|
tree
2016-06-22
Mark Ab
r
aham
Merg
e
bra
n
ch releas
e
-5-1 into rel
e
ase-
2
0
16
commit
|
commitdiff
|
tree
2016-06-22
M
a
rk Abra
h
am
Adju
s
t
and doc
u
m
ent
C
+
+11 comp
i
ler tests
commit
|
commitdiff
|
tree
2016-06-20
Mark Abraham
U
p
d
a
te pre-submit matr
i
x cont
e
nts
commit
|
commitdiff
|
tree
2016-06-19
Mark Abr
a
ham
Improv
e
doc
s
f
o
r linking
s
tdlibc+
+
needed by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Merge branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Fix m
u
lti-
s
im + DD
+
simple distance restraints
commit
|
commitdiff
|
tree
2016-06-10
Mar
k
Abrah
a
m
Fi
n
d py
t
hon
for docs build qu
i
etly
commit
|
commitdiff
|
tree
2016-06-08
M
ark
Abrah
a
m
Merg
e
br
a
nc
h
rel
e
ase-5-
1
into
r
e
lease-2016
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
R
e
-add support for linki
n
g against
exte
r
nal TinyXML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark A
b
r
aham
Updates to documentation
commit
|
commitdiff
|
tree
2016-06-02
Mark
Abraham
Fix c
o
m
patibil
i
t
y
with o
l
d
e
r
CM
a
ke
commit
|
commitdiff
|
tree
2016-06-02
Ma
r
k A
b
rah
a
m
Make
m
ore CM
a
ke varia
b
les adva
n
ced
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraha
m
Ignore
stderr
w
hen
d
e
t
e
c
t
i
ng
S
IMD and bui
l
d info
commit
|
commitdiff
|
tree
2016-05-31
M
a
r
k Abr
a
ham
F
i
x
reference
to vmdio
.
c to be v
m
dio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraha
m
Seco
n
d 2016 beta release
commit
|
commitdiff
|
tree
2016-05-29
Mark Abraham
Sim
p
li
f
ie
d
a
nd updated
O
penCL
compila
t
i
o
n
commit
|
commitdiff
|
tree
2016-05-27
Mar
k
Abraham
Fix
r
eadi
n
g of
bon
d
ed t
a
ble
s
commit
|
commitdiff
|
tree
2016-05-26
Ma
r
k Ab
r
a
ham
New q
u
ote
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraha
m
Merg
e
bra
n
c
h
release-5-1 into re
l
ea
s
e-2016
commit
|
commitdiff
|
tree
2016-05-12
Ma
r
k A
b
ra
h
am
GROMACS 2016 beta1 release
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Bump clang static a
n
al
y
z
er to ve
r
s
i
on 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abrah
a
m
Mi
n
or
upda
t
e to sphi
n
x de
p
e
n
dency
commit
|
commitdiff
|
tree
next