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Update clang static analyzer slave to use version 4
2017-05-15
Ma
r
k Abraham
Up
d
ate clang
static analyzer slave to use
v
e
rsion 4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abraham
Upd
a
te clang
-
4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
M
erge branch rel
e
as
e
-
2
016
commit
|
commitdiff
|
tree
2017-05-09
Mark Ab
r
aham
Cleaned up memory
u
sage in
g
mx traj a
n
d tr
j
conv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abrah
a
m
Clean up memory usage w
i
th oenv and xvg writing
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Minor
c
han
g
e
to GPU compati
b
ility
r
e
porting handling
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
P
ropose
a po
s
t-submit ma
t
rix
commit
|
commitdiff
|
tree
2017-04-03
M
a
r
k Abraham
Remo
v
e do_pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Mark Abraham
M
e
rge bran
c
h release-201
6
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix parameter description for dihe
d
r
a
l_r
e
straint
s
commit
|
commitdiff
|
tree
2017-03-22
Mar
k
Abraham
Add section to user guide for managing sim
u
l
a
tions
commit
|
commitdiff
|
tree
2017-03-19
Mark Abr
a
h
a
m
Fix string handlin
g
for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
M
ark Abrah
a
m
Merge
branch release-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark
A
braham
Bumped version to pr
e
pa
r
e
for
next patch r
e
lease
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Vers
i
on 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
braham
Mo
d
ernize wr
i
t
e
_inp
f
ile
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
b
raham
Modern
i
ze read_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Te
s
t
s for
grompp -f -
p
o
commit
|
commitdiff
|
tree
2017-03-09
Ma
r
k Abra
h
a
m
Refactor
GPU se
l
ection ha
n
dling
commit
|
commitdiff
|
tree
2017-03-07
Mark
Abraham
Fix min
o
r issues i
n
gmx traj -av -a
f
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraha
m
Fi
x
es for
x
l co
m
pile
r
s 13
.
1
.
5 on
Power8
commit
|
commitdiff
|
tree
2017-02-20
Ma
r
k Abraham
Add tes
t
s
for o
l
d gmx energy functionality
commit
|
commitdiff
|
tree
2017-02-17
Mark Ab
r
a
h
am
Use gmx::M
u
tex
a
n
d gmx::lock_g
u
ard to fix some
iss
u
e
s
commit
|
commitdiff
|
tree
2017-02-15
M
ark Abraham
Merge br
a
nch release-5-1 i
n
t
o
re
l
ease-2016
commit
|
commitdiff
|
tree
2017-02-14
M
ark Abra
h
am
F
i
x handling of p
r
evious virials
commit
|
commitdiff
|
tree
2017-02-14
Mar
k
Abraham
R
educe co
m
p
ilation coupling
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraham
Co
r
r
e
cted outpu
t
of gm
x
do_dssp -sc
commit
|
commitdiff
|
tree
2017-02-09
Mark Abra
h
am
Complete the removal of
s
tat
e
fu
l
RNG
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Improve
d
stat
e
_change_natoms and used it
more
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Rem
o
v
e
ES
T
_DISTR f
r
om state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k Abraham
Enhance warninp
commit
|
commitdiff
|
tree
2017-02-08
M
ark Abra
h
am
Extend seriali
z
ation to gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Abraham
Remove docs for unimplemented trjconv -clustercenter
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Ab
r
aham
Create ap
p
lied-forces modu
l
e
g
roup
commit
|
commitdiff
|
tree
2017-02-08
Mark
Abraha
m
G
ive MDModules respons
i
bility for option ha
n
dling
commit
|
commitdiff
|
tree
2017-02-07
Mark
Abra
h
am
Merge br
a
nc
h
r
elea
s
e
-2016
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk Abraha
m
B
um
p
e
d version to p
r
e
p
a
re for next patch release
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
aham
Int
r
oduce
d
s
y
stem
prepa
r
ation section
t
o u
s
e
r guide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Versi
o
n 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
a
rk Abr
a
h
am
Merge branch rele
a
se-5-1 into
rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-02-03
Ma
r
k Abraham
R
e
move
t
yp
e
def
s
t
r
u
ct in some mdtypes files
commit
|
commitdiff
|
tree
2017-02-02
Mark
A
braham
C
larify use of tau-p and pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Abraham
Merge branch
r
elease-5-1 i
n
to relea
s
e-2016
commit
|
commitdiff
|
tree
2017-01-30
Ma
r
k
Abrah
a
m
Fix multi-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark Abrah
a
m
D
on
'
t
print invalid performanc
e
data
commit
|
commitdiff
|
tree
2017-01-23
Mark A
b
raham
Stopped head
e
r
f
i
l
e
s including st
a
te
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fixed gmx
rmsf -
q
-oq
.
commit
|
commitdiff
|
tree
2017-01-21
Ma
r
k
Abraham
Removed init_state
commit
|
commitdiff
|
tree
2017-01-20
Mark Abraham
Initi
a
l
ize GMX_*_L
I
BRARIES cmake
v
ariables ea
r
lier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraha
m
Merge branch re
l
ease-20
1
6
commit
|
commitdiff
|
tree
2017-01-06
Ma
r
k Abraham
Docu
m
ent ISerializer class
commit
|
commitdiff
|
tree
2017-01-04
M
a
rk Abra
h
am
Stop tr
y
ing to use
o
bjdump --r
e
loc on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abrah
a
m
Fix documentation of Op
t
ionsV
i
si
t
or
commit
|
commitdiff
|
tree
2017-01-03
M
ar
k
A
b
r
aham
Merg
e
branch
release-5-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-12-20
Ma
r
k Ab
r
a
ham
C
orrected
d
o
cum
e
ntation
about eigenvalue handli
n
g
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Impro
v
e build system
f
or plugi
n
sup
p
ort
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk
A
braham
Sani
t
ize some in
c
lude
headers
commit
|
commitdiff
|
tree
2016-12-20
M
ark Ab
r
aham
Merge
b
ranch
r
e
lease-201
6
commit
|
commitdiff
|
tree
2016-12-15
Mark Abrah
a
m
R
e
m
ove
d
support f
o
r multiple entries in mdp f
i
le
s
commit
|
commitdiff
|
tree
2016-12-15
Mark A
b
raham
Handle
warn
i
np
c
orrectly i
n
x
pm2ps and membed
commit
|
commitdiff
|
tree
2016-12-14
Mar
k
Abraham
F
i
x
m
isl
e
adi
n
g parallelization
docs for g
m
x
wham
commit
|
commitdiff
|
tree
2016-12-09
Mark
A
br
a
ham
Fix l
o
gic of TRR reading
commit
|
commitdiff
|
tree
2016-12-09
Mark
A
b
r
aham
Remove nxfra
m
e from t_trxst
a
tus
commit
|
commitdiff
|
tree
2016-12-08
M
a
rk Abra
h
am
Co
n
soli
d
ate file
s
su
p
po
r
tin
g
TNG f
i
l
e
I
/O
commit
|
commitdiff
|
tree
2016-12-07
Mark
A
braham
Merge br
a
nch re
l
ease-20
1
6
commit
|
commitdiff
|
tree
2016-12-07
Mark A
b
raham
Fix
memory h
a
n
d
ling in gmx dump of T
N
G
f
iles
commit
|
commitdiff
|
tree
2016-12-05
M
ark Abraham
R
e
move undue na
r
r
o
w
ing of inte
g
er in TNG
reading
commit
|
commitdiff
|
tree
2016-12-01
Mark A
b
raham
Add
I
NSTALL-dev to
a
id people doing
u
nusual
builds
commit
|
commitdiff
|
tree
2016-12-01
M
ark Abrah
a
m
Fix m
i
n
or t
r
jcon
v
bug
commit
|
commitdiff
|
tree
2016-11-23
Mark
Abraham
Stop including
t
ng_
i
o_fw
d
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abra
h
am
Enh
a
n
ced Array
R
ef
commit
|
commitdiff
|
tree
2016-11-16
M
a
r
k Ab
r
aham
Created padde
d
ve
c
tor
.
h
commit
|
commitdiff
|
tree
2016-11-16
Ma
r
k A
b
r
a
h
am
Remo
v
e unimpleme
n
ted gmx trjcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraha
m
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-10-31
Ma
r
k Abraham
M
e
rge branch r
e
l
e
ase-2016
commit
|
commitdiff
|
tree
2016-10-28
M
a
r
k Abraha
m
Bumped version
to prepare fo
r
next
patch
release
commit
|
commitdiff
|
tree
2016-10-28
Mark
Abraham
Versi
o
n
2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abrah
a
m
Update ins
t
all
g
uide
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Upda
t
e cppchec
k
support to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Abraham
Upgrade covera
g
e matrix
.
commit
|
commitdiff
|
tree
2016-10-18
M
a
rk
A
b
ra
h
a
m
Fix S
I
MD sug
g
estion for
V
MX
commit
|
commitdiff
|
tree
2016-10-12
M
a
rk A
b
raham
Make regr
e
ssion
t
e
sts updater build
w
o
rk
f
or ma
s
te
r
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mar
k
Abraham
Upd
a
t
e
fo
r
FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark Abraham
Merge "Merge bra
n
ch
r
ele
a
s
e-
2
01
6
"
commit
|
commitdiff
|
tree
2016-10-09
Mark Abraham
M
erge branch release-
2
0
1
6
commit
|
commitdiff
|
tree
2016-10-07
Mar
k
Abraham
Add scri
p
t for Jen
k
i
n
s regres
s
iontest update j
o
b
commit
|
commitdiff
|
tree
2016-10-03
Mark
Abr
a
h
a
m
Merge branch release-
5
-1 into
r
elease-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark
Abraham
Replace use o
f
depr
e
cated r
e
a
ddir
_
r
commit
|
commitdiff
|
tree
2016-09-12
Mark Abra
h
am
P
reliminary clean
u
p
of
NVML c
o
de
commit
|
commitdiff
|
tree
2016-09-08
Mark A
b
raham
M
erge branch r
e
lease-5
-
1 in
t
o
rel
e
ase-20
1
6
commit
|
commitdiff
|
tree
2016-09-08
Mark Abrah
a
m
Bumped pat
c
h numbe
r
to prepa
r
e for futur
e
5
.
1
.
5
release
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
bra
h
am
V
e
rsion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Removed
H
IS1 from op
l
sa
a
and charmm definitions
commit
|
commitdiff
|
tree
2016-09-07
M
ark Abr
a
ham
Fix LYN
char
g
es in amber03
commit
|
commitdiff
|
tree
2016-09-07
M
ar
k
Ab
r
aham
Fix
amber03 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
Mark
A
b
rah
a
m
Work
around gli
b
c 2
.
23
w
ith CUDA
commit
|
commitdiff
|
tree
2016-08-27
Ma
r
k Abraham
Stop using gmx
_
fa
t
al i
n
g
r
om
p
p
commit
|
commitdiff
|
tree
2016-08-24
Mark Abraham
Remov
e
hacks for outdat
e
d Blue
G
ene support
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
M
e
rge branch releas
e
-2016
commit
|
commitdiff
|
tree
2016-08-15
M
ark Abraha
m
F
ixes for BG/Q pla
t
f
o
rm file
s
and inst
a
ll guid
e
commit
|
commitdiff
|
tree
next