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Merge branch release-5-1
2016-02-19
Mark Abraham
M
e
rge
branch re
l
ease-5-1
commit
|
commitdiff
|
tree
2016-02-19
Mark
Abraham
M
a
ke b
o
th ftp and
http links for sou
r
ce
d
ownload
commit
|
commitdiff
|
tree
2016-02-18
M
ark
A
b
raham
U
p
da
t
ed
r
eference manu
a
l text about PME tuning
commit
|
commitdiff
|
tree
2016-02-16
Mark A
b
ra
h
am
Merge branch releas
e
-5-
0
into releas
e
-5-1
commit
|
commitdiff
|
tree
2016-02-14
Mark Abraham
Re-generated
ep
s
for fi
g
ure 4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mark A
b
r
a
ham
Re-remov
e
*_stochd_state functio
n
d
eclarations
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
Imp
r
oved upda
t
e_coords handling of xprime
commit
|
commitdiff
|
tree
2016-02-10
Mark
Abraham
Fix issues to upda
t
e cppc
h
eck support to
1
.
7
2
commit
|
commitdiff
|
tree
2016-02-08
Mark Abraham
Merge branch relea
s
e-5-0 into re
l
e
a
se-5
-
1
commit
|
commitdiff
|
tree
2016-02-06
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Ab
r
aham
B
um
p
ed p
a
tc
h
number t
o
p
r
e
p
a
re for futu
r
e
5
.
1
.
3
releas
e
commit
|
commitdiff
|
tree
2016-02-03
Mark Abra
h
am
Vers
i
on
5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
M
a
r
k
Abra
h
am
Fix grompp not
wa
r
ni
n
g when
.
m
d
p values have wr
o
ng
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
M
ark Abraha
m
Merge
r
elease-5-0
i
n
to rel
e
ase-5
-
1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abr
a
ham
Fix dE
k
in/dl handling
w
ith multiple ranks
commit
|
commitdiff
|
tree
2016-01-28
Mark A
b
r
a
ham
Merge bra
n
ch rele
a
se-5-1
commit
|
commitdiff
|
tree
2016-01-28
Mar
k
Abr
a
ham
Fix use of __APPLE__ in Open
C
L co
d
e
commit
|
commitdiff
|
tree
2016-01-28
Mark Ab
r
aham
Add OpenCL source file
types to copyrigh
t
checker
commit
|
commitdiff
|
tree
2016-01-28
M
ark Abraham
Av
o
i
d
FP e
x
ce
p
tion
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
Merge branch r
e
lease-5-
1
commit
|
commitdiff
|
tree
2016-01-27
Mar
k
A
braham
Remove
bNo
t
L
a
s
t
F
rame
commit
|
commitdiff
|
tree
2016-01-27
Ma
r
k A
b
raham
Add suggestions for updating bi
n
utils
commit
|
commitdiff
|
tree
2016-01-26
Mark Abraham
Fix default for
GMX_USE_NVML
commit
|
commitdiff
|
tree
2016-01-25
Mark Abraham
Mer
g
e branch re
l
ease-5-1
commit
|
commitdiff
|
tree
2016-01-24
M
ark A
b
raha
m
Fix du
p
lic
a
te
LaTeX equa
t
ion
l
abel
commit
|
commitdiff
|
tree
2016-01-24
Mark Abr
a
ham
Update
r
efe
r
ences to HTML and onlin
e
documentation
commit
|
commitdiff
|
tree
2016-01-14
Ma
r
k Abraham
Perm
i
t customi
z
e
d
te
s
ting
o
f
grompp
and
m
drun
commit
|
commitdiff
|
tree
2016-01-13
Mark Abra
h
am
A
l
lowe
d
NVM
L
support to
b
e tog
g
l
ed
commit
|
commitdiff
|
tree
2016-01-12
Mar
k
Abraham
Merge branc
h
relea
s
e-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-01-11
Mark
A
braham
Improved upd
a
te_coords
commit
|
commitdiff
|
tree
2016-01-08
Mark
A
b
r
aham
Imp
r
ove
t
p
r
hea
d
e
r
vers
i
o
n
handling
commit
|
commitdiff
|
tree
2016-01-08
Mar
k
Abraham
M
erge br
a
nch release-5-1
commit
|
commitdiff
|
tree
2016-01-07
Ma
r
k
A
braha
m
F
ix some
md
r
u
n header dependencies
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
ra
h
am
Avo
i
d more C+
+
bindings fo
r
MPI
commit
|
commitdiff
|
tree
2016-01-07
Ma
r
k Abraham
D
o
cument how potenti
a
l-switch works
commit
|
commitdiff
|
tree
2016-01-07
Mark Abrah
a
m
Stop usi
n
g UNDEFINED as name of a symbol
commit
|
commitdiff
|
tree
2016-01-07
M
ark Abra
h
am
Remove fields
used only f
o
r SD2
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Back
p
ort md-vv
fixes
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk Abraham
Re
m
ove SD2
integ
r
ator
commit
|
commitdiff
|
tree
2016-01-06
Mark
A
braham
Fix
spurious
g
cc warning
commit
|
commitdiff
|
tree
2016-01-05
Mark
A
braham
Fix logic for DD missing-interactions c
h
eck
commit
|
commitdiff
|
tree
2016-01-05
Mark Abraha
m
U
s
e EXPECT_TRUE and EX
P
ECT_FALSE in
n
e
w
SIMD
tests
commit
|
commitdiff
|
tree
2016-01-04
Mark Abraham
Change GMX_DOUBLE
t
o b
e
always defined
commit
|
commitdiff
|
tree
2015-12-28
M
a
rk Ab
r
aham
Creat
e
i
nvertmatrix
.
h
commit
|
commitdiff
|
tree
2015-12-28
Mark Abraham
Mer
g
e branch
r
el
e
ase-5-1
commit
|
commitdiff
|
tree
2015-12-27
Mark A
b
raha
m
Fix some
Open
C
L
i
ssues
commit
|
commitdiff
|
tree
2015-12-24
Ma
r
k Abrah
a
m
Mo
v
ed respo
n
sibility for f_global
commit
|
commitdiff
|
tree
2015-12-24
Mark Ab
r
ah
a
m
She
l
l cod
e
cleanup
commit
|
commitdiff
|
tree
2015-12-17
Mark
Abrah
a
m
Simplified en
e
rgy-summation code
commit
|
commitdiff
|
tree
2015-12-12
Mark Abraham
Broke up co
p
yright
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark A
b
raham
Require Nos
e
-
H
oover
with MT
T
K
commit
|
commitdiff
|
tree
2015-12-11
Mark Abraham
Stop gl
o
ba
l
communicatio
n
dependin
g
on integrator
commit
|
commitdiff
|
tree
2015-12-10
Ma
r
k Abraham
Merge
branch
'
origin/release-5-1'
commit
|
commitdiff
|
tree
2015-12-09
M
ark Ab
r
aham
Update us
e
of
preproc
e
sso
r
in man
a
ging
GPU supp
o
rt
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Merge
branch '
r
e
l
ea
s
e-5-0' into release-5-
1
commit
|
commitdiff
|
tree
2015-12-08
Mark
Abra
h
am
Fix
Tr
o
t
ter inte
g
ration
commit
|
commitdiff
|
tree
2015-12-03
Mar
k
Abraham
Remove mdrun -
c
ompa
c
t
commit
|
commitdiff
|
tree
2015-12-02
Mark
Abraham
R
emove twi
n
-r
a
n
ge scheme
commit
|
commitdiff
|
tree
2015-11-30
Mark Abraha
m
Refactor ha
r
dwa
r
e informatio
n
man
a
ge
m
ent
commit
|
commitdiff
|
tree
2015-11-25
Mark Ab
r
aham
Fix log
i
c
o
f dd_print_missi
n
g
_interactio
n
s exit
commit
|
commitdiff
|
tree
2015-11-24
Mark Ab
r
aham
Fix error in multi-sim
communic
a
tion
commit
|
commitdiff
|
tree
2015-11-23
Mark Abraham
Update and ex
p
and p
r
e-su
b
mit com
m
it matrix
commit
|
commitdiff
|
tree
2015-11-22
M
a
r
k
Abraham
Fix gen
e
ric group-sc
h
eme kernel tabl
e
d
ereferencing
commit
|
commitdiff
|
tree
2015-11-20
Mark Abraham
Split wal
l
cycl
e
interfa
c
e
commit
|
commitdiff
|
tree
2015-11-20
M
a
rk Abra
h
am
Remov
e
ewcWAIT_
G
PU_NB_L_
E
ST
commit
|
commitdiff
|
tree
2015-11-19
Mark A
b
ra
h
am
Simplif
i
ed
i
nit a
n
d m
d
run
code
commit
|
commitdiff
|
tree
2015-11-16
M
ark Abraham
Fix use of #if vs #ifdef
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Remove t_adress
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Fix AlignedAllocator w
i
th MSVC2015 debug
m
o
de
commit
|
commitdiff
|
tree
2015-11-16
Mark
A
braham
Rem
o
v
e
d state_global f
r
om mdrun e
n
ergy-summation
commit
|
commitdiff
|
tree
2015-11-16
Mark Ab
r
aham
Remove "supp
o
rt" for twin-rang
e
with VV integrators
commit
|
commitdiff
|
tree
2015-11-16
M
a
r
k Abraham
Mer
g
e branch release-5-1
commit
|
commitdiff
|
tree
2015-11-15
Mark
A
braham
Remove AdR
e
s
S
commit
|
commitdiff
|
tree
2015-11-15
M
ark Abraham
M
o
ve
r
esp
o
nsibility
f
or FFT des
c
rip
t
ion s
t
ring
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
M
oved all cool stuff to its own file
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
F
ix walltime measure
m
ent with bg
c
lang
commit
|
commitdiff
|
tree
2015-11-13
M
a
rk Ab
r
aham
Upda
t
e in
c
lude
s
or
t
er
.
py
commit
|
commitdiff
|
tree
2015-11-11
Mark
Abraha
m
Merge release-5-
0
into rele
a
se-5-1
commit
|
commitdiff
|
tree
2015-11-10
M
a
rk Abr
a
ha
m
Bump patch
version to
pr
e
pare
f
or 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mark Abraham
Move DD ha
s
hing t
o
domdec mod
u
l
e
commit
|
commitdiff
|
tree
2015-11-05
Mark
A
braham
Handle another un
u
sed
v
ari
a
b
l
e
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
P
e
r
m
i
t
m
at
r
ix build with RelWithDebInf
o
set
commit
|
commitdiff
|
tree
2015-11-04
Mark A
b
raham
M
e
rg
e
branch release-
5
-
1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
E
ven
le
s
s moving f
r
om uni
q
ue_pt
r
commit
|
commitdiff
|
tree
2015-11-04
Ma
r
k
Abraham
Version 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abr
a
h
a
m
Fix
icc 16 issue
s
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Stop moving fro
m
unique_ptr
w
h
en copy elisi
o
n
works
commit
|
commitdiff
|
tree
2015-11-03
Mark Abraham
Quiet warnings with clang-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
Mark
A
braha
m
Merge bra
n
ch rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-11-02
Mark Abraha
m
Rep
l
ace boos
t
::shared_ptr wit
h
s
td::shar
e
d_ptr
commit
|
commitdiff
|
tree
2015-10-28
Mark Ab
r
aham
Use default ali
g
nment for OpenC
L
host
buf
f
er
commit
|
commitdiff
|
tree
2015-10-28
Ma
r
k Abraha
m
Separa
t
e wallcycle responsibil
i
ties
commit
|
commitdiff
|
tree
2015-10-28
M
ark Abraham
Suppress warni
n
gs whe
n
we have Open
C
L 2
.
0
s
u
pp
o
r
t
commit
|
commitdiff
|
tree
2015-10-23
Mark Abra
h
am
Impr
o
ve implementation of
cyc
l
e
s
ubcoun
t
ing
commit
|
commitdiff
|
tree
2015-10-19
M
a
r
k
A
b
r
aham
Fix cyc
l
e subcounters
commit
|
commitdiff
|
tree
2015-10-16
Mark A
b
raham
Add J
e
nkins options matrix to source repo
commit
|
commitdiff
|
tree
2015-10-14
Mark
A
b
r
aham
Me
r
ge
r
el
e
ase-5-
0
i
n
to rele
a
se-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mar
k
Abr
a
h
am
Ver
s
ion bumps after release
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Simplify genconf
commit
|
commitdiff
|
tree
2015-10-14
M
ark Abraham
V
e
r
sion 5
.
0
.
7
commit
|
commitdiff
|
tree
next