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Merge branch release-5-1
2016-02-19
Mark A
b
r
aham
M
erg
e
br
a
n
c
h rele
a
se-5-1
commit
|
commitdiff
|
tree
2016-02-19
Mark Abr
a
ham
Make
b
ot
h
ftp
a
nd
h
tt
p
li
n
k
s
for source downl
o
ad
commit
|
commitdiff
|
tree
2016-02-18
Mar
k
A
braham
Updated reference manual text about PME tuning
commit
|
commitdiff
|
tree
2016-02-16
Mark
A
b
r
aham
Me
r
g
e
branch
rel
e
a
se-5-0
into release
-
5
-1
commit
|
commitdiff
|
tree
2016-02-14
M
ark
A
b
r
aham
Re-g
e
nerated eps
for figure
4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mark A
b
raham
Re-rem
o
ve *_s
t
ochd_state functi
o
n declarations
commit
|
commitdiff
|
tree
2016-02-10
M
a
rk Abraham
Impr
o
ved upd
a
te_c
o
ords handlin
g
of
xpr
i
me
commit
|
commitdiff
|
tree
2016-02-10
Mar
k
A
braham
Fix issues
to update
cppcheck suppo
r
t to 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
Mar
k
Abraham
Merge
br
a
nch re
l
e
a
s
e-5-0 i
n
to
r
elease-5-1
commit
|
commitdiff
|
tree
2016-02-06
Ma
r
k A
b
raham
Mer
g
e
b
ranch release
-
5
-
1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraha
m
B
u
mp
e
d patch number to
p
r
e
p
a
re for future 5
.
1
.
3 re
l
e
ase
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
V
ersion 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Fix
g
rompp not
w
ar
n
ing
wh
e
n
.
mdp values hav
e
wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
M
ark Abr
a
h
a
m
Merge
releas
e
-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark
Abr
a
ham
F
i
x dEkin/dl handl
i
ng with multiple r
a
n
ks
commit
|
commitdiff
|
tree
2016-01-28
Mark
Abraham
Merge branc
h
r
elease-5-
1
commit
|
commitdiff
|
tree
2016-01-28
M
ark Abraham
Fix
u
s
e of _
_
APPLE__ in
Op
e
n
C
L code
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Add OpenC
L
s
ource file t
y
p
es to cop
y
right c
h
eck
e
r
commit
|
commitdiff
|
tree
2016-01-28
Mark
A
br
a
ham
Avoid FP exc
e
ption
commit
|
commitdiff
|
tree
2016-01-27
M
a
r
k Abra
h
am
Merge
b
ranch release-5-1
commit
|
commitdiff
|
tree
2016-01-27
Ma
r
k Ab
r
ah
a
m
Remove bNotLastFrame
commit
|
commitdiff
|
tree
2016-01-27
Mark
A
braham
A
d
d suggestions for updating binutils
commit
|
commitdiff
|
tree
2016-01-26
Mark Abraham
Fix default
f
or GMX_USE
_
NVML
commit
|
commitdiff
|
tree
2016-01-25
Mark Abra
h
am
Merge branch
r
ele
a
se-
5
-1
commit
|
commitdiff
|
tree
2016-01-24
Mark
A
braham
F
ix du
p
licate LaTeX equation label
commit
|
commitdiff
|
tree
2016-01-24
Mark Abraham
Update references to HTML and online documentation
commit
|
commitdiff
|
tree
2016-01-14
M
a
rk Abraham
P
e
r
m
it cu
s
tomized
t
es
t
in
g
of grompp an
d
m
d
run
commit
|
commitdiff
|
tree
2016-01-13
Ma
r
k Abraha
m
A
l
l
owed NVML s
u
ppor
t
to be toggled
commit
|
commitdiff
|
tree
2016-01-12
Mark
A
braham
Merge b
r
anch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-01-11
M
a
rk Abra
h
am
Improved update_coords
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Improve
tpr he
a
de
r
versi
o
n
ha
n
dling
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Merge bra
n
ch release-
5
-1
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
Ab
r
aham
F
ix some mdrun header dependencie
s
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
br
a
ham
Avoid
m
ore C++
b
indings fo
r
M
P
I
commit
|
commitdiff
|
tree
2016-01-07
Mark
Abraham
Document ho
w
potential-switch wo
r
ks
commit
|
commitdiff
|
tree
2016-01-07
M
a
r
k
Abraham
Stop
u
s
ing UNDEFINED as n
a
m
e
of a symbol
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk Abraham
Remove fields used onl
y
fo
r
S
D
2
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Backport md-vv fixes
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Remove SD2 int
e
grator
commit
|
commitdiff
|
tree
2016-01-06
Mark
Abraham
Fix spurious gcc warning
commit
|
commitdiff
|
tree
2016-01-05
Ma
r
k
Abraha
m
Fix logi
c
for DD miss
i
ng-interacti
o
ns check
commit
|
commitdiff
|
tree
2016-01-05
Mark Abraham
Use
E
X
P
E
C
T_T
R
UE a
n
d
E
X
PECT_FALSE
i
n new SIMD t
e
st
s
commit
|
commitdiff
|
tree
2016-01-04
Mark Abraham
Chan
g
e GMX
_
DOUBLE
to be
a
lways defined
commit
|
commitdiff
|
tree
2015-12-28
Mark
A
braham
C
reate inv
e
rtmatrix
.
h
commit
|
commitdiff
|
tree
2015-12-28
Mark Abra
h
am
Merg
e
branch release-5-1
commit
|
commitdiff
|
tree
2015-12-27
Ma
r
k Ab
r
aham
Fix some
Ope
n
CL
i
ss
u
es
commit
|
commitdiff
|
tree
2015-12-24
Mark Abra
h
a
m
Moved resp
o
nsibility fo
r
f_global
commit
|
commitdiff
|
tree
2015-12-24
M
ark Abraham
Shell co
d
e
c
leanup
commit
|
commitdiff
|
tree
2015-12-17
Ma
r
k A
b
r
aham
S
impli
f
ied energy-summation
code
commit
|
commitdiff
|
tree
2015-12-12
M
ark Abraham
Br
o
ke up copyrigh
t
.
*
commit
|
commitdiff
|
tree
2015-12-12
Ma
r
k Abraham
Require Nose-Hoover wit
h
MTT
K
commit
|
commitdiff
|
tree
2015-12-11
Mark Abraham
S
t
op glob
a
l
c
ommu
n
i
cat
i
on dep
e
nding on in
t
egrator
commit
|
commitdiff
|
tree
2015-12-10
Mark Abraham
Merge branch 'ori
g
in/re
l
ease-5-1'
commit
|
commitdiff
|
tree
2015-12-09
Ma
r
k
A
b
r
aha
m
Update us
e
of preprocessor in
man
a
gi
n
g GPU su
p
port
commit
|
commitdiff
|
tree
2015-12-08
Mark Ab
r
aham
Merge
b
ra
n
ch 'release-5-0' into rele
a
s
e-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Fix Tr
o
tter integration
commit
|
commitdiff
|
tree
2015-12-03
Mark Abraham
Remove mdrun -compact
commit
|
commitdiff
|
tree
2015-12-02
Mark Abr
a
ha
m
Remov
e
t
w
in-range scheme
commit
|
commitdiff
|
tree
2015-11-30
Mark Abrah
a
m
R
ef
a
ctor
h
ardware in
f
o
r
mation
m
anagement
commit
|
commitdiff
|
tree
2015-11-25
Mar
k
Abraham
Fix logic of dd_print_missing_inter
a
c
tio
n
s exit
commit
|
commitdiff
|
tree
2015-11-24
M
a
rk Abraha
m
Fi
x
error
in multi-
s
im c
o
mmuni
c
ati
o
n
commit
|
commitdiff
|
tree
2015-11-23
Mar
k
Abraham
Up
d
a
te and expand pre-submit commi
t
ma
t
rix
commit
|
commitdiff
|
tree
2015-11-22
Ma
r
k
Abraham
Fix ge
n
e
ric group-scheme kernel table dere
f
erencing
commit
|
commitdiff
|
tree
2015-11-20
Mark Abraham
Split wal
l
cycle interface
commit
|
commitdiff
|
tree
2015-11-20
M
ark
Abra
h
am
Remove ewcWAI
T
_GPU
_
NB_
L
_EST
commit
|
commitdiff
|
tree
2015-11-19
Mark Abraham
Simplified init
an
d
mdrun code
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Fix use of #if vs #ifd
e
f
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Re
m
ove t_adre
s
s
commit
|
commitdiff
|
tree
2015-11-16
M
ark Abraham
Fix Al
i
g
nedAllocator with MSVC2015 debug mode
commit
|
commitdiff
|
tree
2015-11-16
M
ark Abr
a
ham
Removed state_global from mdrun energy-summation
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Remo
v
e "support"
for
t
win-r
a
nge w
i
th VV inte
g
rators
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Merge branch rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-11-15
Mar
k
Abraham
Remove AdResS
commit
|
commitdiff
|
tree
2015-11-15
M
a
rk Abraham
Move re
s
ponsibility f
o
r
FFT de
s
cription s
t
ring
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
Mov
e
d all co
o
l stuff
t
o
its o
w
n file
commit
|
commitdiff
|
tree
2015-11-14
M
a
rk Ab
r
a
ham
Fix wal
l
time me
a
s
u
r
e
ment with
bgclang
commit
|
commitdiff
|
tree
2015-11-13
Mark Abraham
Updat
e
i
ncludesorter
.
p
y
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
Merge release-5-0
into relea
s
e-5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abraham
Bump patch version t
o
prep
a
re for 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mark Abra
h
a
m
Move DD hash
i
ng to domdec
modu
l
e
commit
|
commitdiff
|
tree
2015-11-05
Mark Ab
r
a
h
am
Ha
n
dle ano
t
h
e
r unuse
d
vari
a
ble
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Permit matrix bu
i
ld with RelWi
t
hDebInfo se
t
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraha
m
Mer
g
e branch release-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark
A
b
r
aham
Even less moving from uniq
u
e_ptr
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
V
e
r
s
i
o
n 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mar
k
Abrah
a
m
Fix i
c
c 1
6
issues
commit
|
commitdiff
|
tree
2015-11-04
Mark
Abrah
a
m
Stop
m
oving from unique_ptr w
h
en copy elision
works
commit
|
commitdiff
|
tree
2015-11-03
Ma
r
k
A
b
ra
h
am
Q
u
iet w
a
r
nings with cl
a
ng-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
M
a
rk
A
braham
Me
r
ge
b
r
anch release-
5
-1
commit
|
commitdiff
|
tree
2015-11-02
Mark Abr
a
ham
Replace
b
oost:
:
shar
e
d_ptr wi
t
h std::shared_ptr
commit
|
commitdiff
|
tree
2015-10-28
Mark
A
bra
h
am
Use default ali
g
nment for
O
pe
n
CL
hos
t
buffe
r
commit
|
commitdiff
|
tree
2015-10-28
Ma
r
k
A
braha
m
Sepa
r
ate wallcycle responsibilities
commit
|
commitdiff
|
tree
2015-10-28
Mar
k
Abraham
Suppres
s
w
a
r
n
ings when
we have OpenCL 2
.
0
s
uppo
r
t
commit
|
commitdiff
|
tree
2015-10-23
Mark Abr
a
ham
Improve i
m
pl
e
mentatio
n
of cycl
e
s
ubcounting
commit
|
commitdiff
|
tree
2015-10-19
M
ar
k
A
b
raham
Fix
cycle
subc
o
u
n
t
ers
commit
|
commitdiff
|
tree
2015-10-16
Mark Abraham
Add Je
n
k
i
ns options matri
x
to sour
c
e repo
commit
|
commitdiff
|
tree
2015-10-14
Mar
k
Abr
a
ham
Merge release-5-0
into rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-10-14
M
ark Abraham
V
ersion bumps aft
e
r release
commit
|
commitdiff
|
tree
2015-10-14
M
a
rk Abra
h
am
Simplify
g
enc
o
nf
commit
|
commitdiff
|
tree
2015-10-14
M
a
rk Ab
r
ah
a
m
Ver
s
ion 5
.
0
.
7
commit
|
commitdiff
|
tree
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