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Merge branch release-5-1
2016-01-25
Mark Abraham
M
e
rge branch r
e
lease
-
5-1
commit
|
commitdiff
|
tree
2016-01-24
Mark Ab
r
aham
Updat
e
refer
e
nces to HTML an
d
o
n
line documentat
i
o
n
commit
|
commitdiff
|
tree
2016-01-14
Mark Abraham
Per
m
it customize
d
testing of grom
p
p and mdrun
commit
|
commitdiff
|
tree
2016-01-13
Mark Abraham
A
llowed
NVML s
u
pport
to be toggl
e
d
commit
|
commitdiff
|
tree
2016-01-12
M
a
r
k
Abraham
Merge bra
n
ch release-
5
-0 into release
-
5-1
commit
|
commitdiff
|
tree
2016-01-11
Mark Abraham
I
mp
r
oved update_coords
commit
|
commitdiff
|
tree
2016-01-08
Mark Abrah
a
m
Improv
e
tpr header version ha
n
dling
commit
|
commitdiff
|
tree
2016-01-08
Mark Abra
h
am
Me
r
ge branch rel
e
a
s
e-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
bra
h
a
m
F
ix
some
m
drun header depen
d
e
ncies
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Av
o
id m
o
r
e
C++
bind
i
ngs f
o
r MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braha
m
Document how potentia
l
-switch works
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk Abraham
Sto
p
using UNDEFINE
D
as name o
f
a symbo
l
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Remov
e
fields used only
f
or SD2
commit
|
commitdiff
|
tree
2016-01-07
Ma
r
k Ab
r
a
ham
B
a
ckport md-vv
fix
e
s
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
Abra
h
am
Remove SD2
int
e
g
r
ator
commit
|
commitdiff
|
tree
2016-01-06
Mark Abraham
F
i
x sp
u
rious gcc warning
commit
|
commitdiff
|
tree
2016-01-05
Mark Abra
h
a
m
Fix
logi
c
for D
D
missing-interactions chec
k
commit
|
commitdiff
|
tree
2016-01-05
M
ark Abr
a
ham
Use EXPECT_TRUE and EXPECT_FALSE
i
n
new SIMD tests
commit
|
commitdiff
|
tree
2016-01-04
Mark Abra
h
am
C
h
ange G
M
X
_DOUBLE to b
e
always defined
commit
|
commitdiff
|
tree
2015-12-28
Mark
A
braham
Create
i
nver
t
matrix
.
h
commit
|
commitdiff
|
tree
2015-12-28
Mark Abraham
Merge branch rel
e
ase
-
5-1
commit
|
commitdiff
|
tree
2015-12-27
M
ark A
b
r
a
ham
Fix
s
ome
O
pen
C
L issues
commit
|
commitdiff
|
tree
2015-12-24
Mark A
b
raham
Move
d
responsibility for f_global
commit
|
commitdiff
|
tree
2015-12-24
Mark Abraham
S
hell
code
c
l
eanup
commit
|
commitdiff
|
tree
2015-12-17
Mark Abraham
S
i
mplified en
e
rgy
-
su
m
mation code
commit
|
commitdiff
|
tree
2015-12-12
Mark A
b
rah
a
m
Broke
u
p copyright
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark
A
braham
Require Nose-H
o
over w
i
th MT
T
K
commit
|
commitdiff
|
tree
2015-12-11
Mark Abraham
Stop global
c
ommunication depen
d
i
n
g on int
e
grator
commit
|
commitdiff
|
tree
2015-12-10
Mark Abr
a
ham
Merge bran
c
h 'origin/release-5-1'
commit
|
commitdiff
|
tree
2015-12-09
Mark A
b
raham
U
p
date use of prep
r
ocessor
i
n man
a
ging GPU su
p
po
r
t
commit
|
commitdiff
|
tree
2015-12-08
Mar
k
Ab
r
aham
Merge branch 'rele
a
se-5-0
'
into
r
elease-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraha
m
Fix
Trotter integr
a
tion
commit
|
commitdiff
|
tree
2015-12-03
Mark Abraham
Remove mdrun -compact
commit
|
commitdiff
|
tree
2015-12-02
M
a
rk Abrah
a
m
Remove tw
i
n
-ra
n
g
e
scheme
commit
|
commitdiff
|
tree
2015-11-30
Mark Abraham
Re
f
ac
t
or har
d
w
a
re
i
nformation management
commit
|
commitdiff
|
tree
2015-11-25
Mark Abraham
Fix logic
of dd
_
print_mis
s
ing_inter
a
c
t
ions exit
commit
|
commitdiff
|
tree
2015-11-24
Mark
A
braha
m
Fix err
o
r in m
u
l
ti-sim communication
commit
|
commitdiff
|
tree
2015-11-23
Mark Abraham
Update an
d
expand p
r
e
-submit com
m
it
m
atrix
commit
|
commitdiff
|
tree
2015-11-22
M
a
rk Abraham
Fix
g
e
ne
r
i
c
g
roup-sch
e
me kernel t
a
b
le dereferenci
n
g
commit
|
commitdiff
|
tree
2015-11-20
Ma
r
k Abraham
Split wallcyc
l
e interfa
c
e
commit
|
commitdiff
|
tree
2015-11-20
Mark Abraham
Remove ewcWAIT_GPU_NB_L_EST
commit
|
commitdiff
|
tree
2015-11-19
M
ark Abraha
m
Simp
l
ified init and mdrun co
d
e
commit
|
commitdiff
|
tree
2015-11-16
Ma
r
k Abraham
Fix use of
#if
v
s #ifd
e
f
commit
|
commitdiff
|
tree
2015-11-16
M
a
rk
Ab
r
aham
Remove t_ad
r
es
s
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Fix
A
l
ignedAllocat
o
r with MSVC2015 debug
mode
commit
|
commitdiff
|
tree
2015-11-16
M
a
r
k Abraha
m
Remov
e
d state
_
glo
b
al
from mdrun energy-
s
ummation
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Remove "support" for twin-rang
e
with VV int
e
grators
commit
|
commitdiff
|
tree
2015-11-16
Mark Abrah
a
m
Merge branch
release-5-1
commit
|
commitdiff
|
tree
2015-11-15
Mark A
b
r
a
ham
Re
m
o
v
e AdResS
commit
|
commitdiff
|
tree
2015-11-15
Mark A
b
r
a
ham
Move respon
s
ibility for FFT descriptio
n
string
commit
|
commitdiff
|
tree
2015-11-14
M
a
rk Abraham
Moved all coo
l
stuff to its own file
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraha
m
Fix wall
t
im
e
m
easure
m
e
nt with bgc
l
ang
commit
|
commitdiff
|
tree
2015-11-13
Mark Abraham
Updat
e
in
c
ludesorter
.
py
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
Mer
g
e
r
elease-5
-
0 in
t
o
release
-
5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abraham
Bump patch vers
i
o
n to pre
p
are fo
r
5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mark Abraham
M
ove DD ha
s
hing to domdec module
commit
|
commitdiff
|
tree
2015-11-05
Mar
k
Abraham
Hand
l
e another un
u
sed var
i
abl
e
commit
|
commitdiff
|
tree
2015-11-04
Mark
Abraham
Permi
t
mat
r
ix build with RelWithDebInfo
s
et
commit
|
commitdiff
|
tree
2015-11-04
Ma
r
k Abraham
M
e
r
ge branch release-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abra
h
am
Even le
s
s mov
i
ng fro
m
uniq
u
e_ptr
commit
|
commitdiff
|
tree
2015-11-04
Mark
Abraham
Version 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Fix
i
cc 16 i
s
sues
commit
|
commitdiff
|
tree
2015-11-04
Mark
A
braha
m
S
t
op movin
g
f
rom uniqu
e
_ptr
w
h
en copy elision
w
o
r
k
s
commit
|
commitdiff
|
tree
2015-11-03
Mark Abr
a
ham
Quiet
w
ar
n
in
g
s
with clang-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
Mark Ab
r
aham
M
e
r
ge
b
ranch release-5
-
1
commit
|
commitdiff
|
tree
2015-11-02
Mark Abraham
Replace boost::sha
r
e
d
_ptr with std::share
d
_p
t
r
commit
|
commitdiff
|
tree
2015-10-28
Mark
Abrah
a
m
Us
e
defa
u
lt a
l
i
g
nm
e
nt for OpenCL host buf
f
er
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Separate wallcycle resp
o
nsibi
l
ities
commit
|
commitdiff
|
tree
2015-10-28
Mark Ab
r
aham
Sup
p
ress wa
r
nin
g
s
w
hen we h
a
ve OpenCL 2
.
0 suppo
r
t
commit
|
commitdiff
|
tree
2015-10-23
Ma
r
k Abrah
a
m
Impro
v
e im
p
l
e
mentation
o
f cycle
s
ubcounting
commit
|
commitdiff
|
tree
2015-10-19
Mark Abraham
Fix
cycl
e
subcounters
commit
|
commitdiff
|
tree
2015-10-16
Mar
k
A
braham
Add Je
n
kins options matr
i
x to s
o
urc
e
rep
o
commit
|
commitdiff
|
tree
2015-10-14
Ma
r
k
Abraham
Merge release-5-
0
into r
e
l
eas
e
-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Version bum
p
s after release
commit
|
commitdiff
|
tree
2015-10-14
Mark A
b
ra
h
am
Si
m
plify
ge
n
conf
commit
|
commitdiff
|
tree
2015-10-14
Mark
A
b
r
aham
Version 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abra
h
a
m
Mer
g
e b
r
an
c
h releas
e
-4-
6
i
nto relea
s
e-5-0
commit
|
commitdiff
|
tree
2015-10-09
Mark Abra
h
am
Remove CGLO_
R
ERUNMD
commit
|
commitdiff
|
tree
2015-10-07
Mar
k
A
braham
M
erge branch release-
5
-1 i
n
to master
commit
|
commitdiff
|
tree
2015-10-07
M
ark
A
braham
Fix
e
d
FFTW detection status message loc
a
ti
o
n
commit
|
commitdiff
|
tree
2015-10-05
Mark Abr
a
ham
Merg
e
release-5-0
i
n
to
release-5-1
commit
|
commitdiff
|
tree
2015-10-05
M
a
rk Abra
h
am
Merge "Merge branch rele
a
se
-
5
-1 in
t
o master"
commit
|
commitdiff
|
tree
2015-10-03
Mark
A
br
a
ham
Fix FindFF
T
W behaviour
commit
|
commitdiff
|
tree
2015-10-03
M
a
rk Abra
h
am
Fix mdrun -n
b
auto -rerun with GPU and
e
nergy
gro
u
ps
commit
|
commitdiff
|
tree
2015-10-02
Mark Ab
r
aha
m
T
emporarily
t
est on
a
ma
c
hine with
only two GPUs
commit
|
commitdiff
|
tree
2015-09-29
Mark Abra
h
a
m
Clean up of tables code
commit
|
commitdiff
|
tree
2015-09-29
Mark A
b
raham
Move tables
.
c
to ne
w
modul
e
and
C++
commit
|
commitdiff
|
tree
2015-09-29
Mark Abraham
Hard-code fewe
r
things in table code
commit
|
commitdiff
|
tree
2015-09-28
Mark Abraham
Eliminate us
e
o
f typedefs
.
h in
k
ernel C
code
commit
|
commitdiff
|
tree
2015-09-26
Mark Abraha
m
Fix reaction-
f
i
eld wa
r
ning message
commit
|
commitdiff
|
tree
2015-09-16
Ma
r
k Abraham
R
e
move
G
MX
_
NOCHARGEGROUP
S
commit
|
commitdiff
|
tree
2015-09-15
Mark Abraham
M
e
rge branch release-5-1
commit
|
commitdiff
|
tree
2015-09-12
Ma
r
k A
b
r
aham
C
l
e
an up t
p
xi
o
.
c
p
p
commit
|
commitdiff
|
tree
2015-09-09
Ma
r
k Abraham
Reduce
misuse of fatalerror
.
h
commit
|
commitdiff
|
tree
2015-09-06
M
ark Ab
r
ah
a
m
Add GROM
A
CS 5 pap
e
r to
p
aper
l
ists
commit
|
commitdiff
|
tree
2015-09-04
Mark Abraham
Fix r
e
cent tpr
c
hange
commit
|
commitdiff
|
tree
2015-09-03
M
a
rk Abraham
Never oper
a
te on force
a
rr
a
y in
.
tpr
commit
|
commitdiff
|
tree
2015-08-28
Mark Abraham
Keep
h
w
_opt more const
commit
|
commitdiff
|
tree
2015-08-19
Mar
k
Abraham
Harden FindSphinx
.
cm
a
ke
commit
|
commitdiff
|
tree
2015-08-17
Mark Abraham
Remo
v
e in
f
rastructure fo
r
gmx proto
n
ate
commit
|
commitdiff
|
tree
next