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Merge branch release-5-0 into release-5-1
2016-02-08
Mark Abrah
a
m
Merge branch release-5-
0
into releas
e
-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark
A
bra
h
a
m
B
umped
patch number to prepare for fut
u
re 5
.
1
.
3
r
elease
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Ve
r
sion 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
M
a
rk Abrah
a
m
M
e
rge rel
e
ase-5-0 into rele
a
se-5-
1
commit
|
commitdiff
|
tree
2016-01-26
M
a
rk A
b
raham
Fix
d
ef
a
ult f
o
r GMX_USE
_
N
VML
commit
|
commitdiff
|
tree
2016-01-12
Mark
A
braham
Merge br
a
nch release-5-0 i
n
to re
l
ease-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
rah
a
m
Avoid mor
e
C+
+
bindings for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
raham
Stop
using UND
E
FINED as name of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark
Ab
r
aham
Backport md-vv fix
e
s
commit
|
commitdiff
|
tree
2015-12-29
Ber
k
Hess
Co
r
rec
t
vector check of
g
mx
c
heck
commit
|
commitdiff
|
tree
2015-12-27
Mark Abrah
a
m
Fix some
Ope
n
CL issues
commit
|
commitdiff
|
tree
2015-12-08
Mark A
b
raha
m
Merge branch
'
release-5-0' i
n
to release-5
-
1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Fix
T
rotter
i
nte
g
rati
o
n
commit
|
commitdiff
|
tree
2015-11-25
Elton Car
v
alho
Rotate Figure 8
.
2 in manual
.
commit
|
commitdiff
|
tree
2015-11-24
Mark Ab
r
aham
Fix error
i
n
m
u
l
ti
-
sim
co
m
m
un
i
cation
commit
|
commitdiff
|
tree
2015-11-11
Mark
A
braha
m
Merge
r
el
e
a
s
e-5-0 into release
-
5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark
A
braham
Bump patch ver
s
io
n
to prepare for 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
Mark Abra
h
a
m
Ver
s
i
o
n
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
Mar
k
Ab
r
aha
m
S
u
ppr
e
ss warnings whe
n
we have O
p
enCL
2
.
0 support
commit
|
commitdiff
|
tree
2015-10-15
Szilárd
P
áll
Add CU
D
A
nvcc >=7
.
0 support
commit
|
commitdiff
|
tree
2015-10-14
Mark Abra
h
am
Merge
rele
a
se
-
5-0 into release-5
-
1
commit
|
commitdiff
|
tree
2015-10-14
Mark
Abraham
Version bumps
a
fter
release
commit
|
commitdiff
|
tree
2015-10-14
Ma
r
k
Abraham
Versio
n
5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abraham
Me
r
ge bra
n
ch release
-
4-6 into
rel
e
ase-5-
0
commit
|
commitdiff
|
tree
2015-10-07
Mar
k
A
b
raham
Fixed FFTW detection status
mes
s
age location
commit
|
commitdiff
|
tree
2015-10-05
Mark A
b
raham
Merge rele
a
se-5-0 i
n
to
r
elease
-
5
-1
commit
|
commitdiff
|
tree
2015-09-26
Mark Abraham
F
ix reaction-field warni
n
g mess
a
g
e
commit
|
commitdiff
|
tree
2015-09-16
Szila
r
d Pall
Fix OpenCL
bui
l
d
commit
|
commitdiff
|
tree
2015-08-19
Mark Abraham
Harden FindSphinx
.
cma
k
e
commit
|
commitdiff
|
tree
2015-08-14
Mark Abrah
a
m
Bump patch version to prep
a
re for
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark
Abr
a
ha
m
Ver
s
ion 5
.
1
commit
|
commitdiff
|
tree
2015-08-14
B
e
rk
Hess
M
ake
m
drun -nt w
o
rk again
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Make
i
t e
a
sie
r
to find selection
h
elp
commit
|
commitdiff
|
tree
2015-08-12
Mark Abraham
Add documentation for energ
y
grp
s
with GPUs
commit
|
commitdiff
|
tree
2015-08-11
Mark A
b
r
a
ham
Abort
i
f
PME tu
n
i
n
g
is active a
n
d
count
e
rs rese
t
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Merge br
a
nc
h
release-5-0 into r
e
lease-
5
-
1
commit
|
commitdiff
|
tree
2015-08-08
Mar
k
A
b
ra
h
am
F
i
x docs of ftypes
o
f
dihedrals
commit
|
commitdiff
|
tree
2015-08-04
Mark Abraha
m
Merge release-5-0 into re
l
eas
e
-5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark Abrah
a
m
Fix possible
l
inking of li
b
xml2 to zlib
commit
|
commitdiff
|
tree
2015-07-26
Mar
k
Abr
a
ham
Merge branch release-5-
0
into
releas
e
-5-1
commit
|
commitdiff
|
tree
2015-07-26
M
a
rk Abraham
V
ersion bumps after
n
ew rel
e
ase
commit
|
commitdiff
|
tree
2015-07-24
Mark
A
br
a
ham
Version 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-06
M
a
rk Abraham
First 5
.
1 release candi
d
ate
commit
|
commitdiff
|
tree
2015-07-06
Berk Hess
Fix t
o
o
s
mall GPU pair count
e
stimates
commit
|
commitdiff
|
tree
2015-07-06
B
e
rk
Hes
s
Fix
bug
i
n
G
PU list balancing
commit
|
commitdiff
|
tree
2015-06-29
Mark Ab
r
aham
Merge
branch release-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Doc
u
mented build types in de
v
el
o
p
er
g
uide
commit
|
commitdiff
|
tree
2015-06-29
M
a
rk Abraham
M
e
rge release-4-6 in
t
o
r
e
l
ease-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Fix
a
l
l
u
se o
f
n
bnxn_simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
Ber
k
H
ess
Improve pa
i
r sear
c
h
t
hread load ba
l
ance
commit
|
commitdiff
|
tree
2015-06-27
M
ark A
b
raham
Merge release-5-0 int
o
ma
s
ter
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraham
Merge release
-
4-6 into rele
a
se-5-0
commit
|
commitdiff
|
tree
2015-06-25
Er
i
k Lindahl
Fix edr a
p
pen
d
in
g
a
n
d
e
xact continuatio
n
commit
|
commitdiff
|
tree
2015-06-25
Erik Lindahl
Fix bi
n
a
r
y exact
c
on
t
inuation for trajector
i
es
commit
|
commitdiff
|
tree
2015-06-25
Ma
r
k Abra
h
am
Merge release
-
5-0 into
master
commit
|
commitdiff
|
tree
2015-06-24
Mark Abra
h
am
Merge rele
a
se
-
4-
6
into r
e
le
a
se-5-0
commit
|
commitdiff
|
tree
2015-06-15
Rossen Ap
o
stolov
Building
o
wn fftw now uses
v
ersion
3
.
3
.
4
commit
|
commitdiff
|
tree
2015-06-12
Mark Ab
r
a
h
am
F
i
x comma
n
dl
i
ne
test da
t
a
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
Me
r
ge branch r
e
l
e
ase-4-6 into
r
elease-5-0
commit
|
commitdiff
|
tree
2015-06-09
Teemu Murtola
Resolv
e
one TODO for command line help tests
commit
|
commitdiff
|
tree
2015-05-28
Teemu Murtola
Improve li
s
ts
in us
e
r gu
i
de for selections
commit
|
commitdiff
|
tree
2015-05-26
Mark Abra
h
am
Convert ewald module to C++
commit
|
commitdiff
|
tree
2015-05-26
M
a
rk Abraham
Fi
x
u
s
e
o
f hard-coded
tempo
r
ary filename
commit
|
commitdiff
|
tree
2015-05-19
Mark Abraham
Add
c
heck
s
f
o
r
correct use of S
I
MD headers
.
commit
|
commitdiff
|
tree
2015-05-17
Mark Abraham
Merge branch o
r
igin/release-5-0
commit
|
commitdiff
|
tree
2015-05-15
Szi
l
ard Pall
Assert the s
i
ze
o
f non-bonded
G
PU
w
ork units
commit
|
commitdiff
|
tree
2015-05-13
Mark Abraha
m
Version bum
p
s after new re
l
ease
commit
|
commitdiff
|
tree
2015-05-13
Mark
A
bra
h
a
m
V
ersion 5
.
0
.
5
commit
|
commitdiff
|
tree
2015-05-12
Rossen
A
postolov
Ad
d
e
d
a note
about
s
c-cou
l
being aut
o
turned on
.
commit
|
commitdiff
|
tree
2015-05-09
Mark A
b
r
a
ha
m
M
e
rge branch
release-5-0
commit
|
commitdiff
|
tree
2015-05-05
Mark Abraham
Merge
re
l
ease-4-6 into rel
e
ase-5-0
commit
|
commitdiff
|
tree
2015-04-30
Mark Abraham
M
o
ve GPU imple
m
entati
o
n to new interface
commit
|
commitdiff
|
tree
2015-04-23
Mark
A
brah
a
m
First b
e
ta release of
5
.
1
commit
|
commitdiff
|
tree
2015-04-09
Mark Abra
h
am
Merge
branch
r
elea
s
e-5-0
commit
|
commitdiff
|
tree
2015-04-08
Mark
Abraham
Up
d
ate mdrun Doxygen
commit
|
commitdiff
|
tree
2015-04-08
Mark Abraham
Made pm
e
_work_
t
o
paque
commit
|
commitdiff
|
tree
2015-03-30
Erik
Lindahl
Quote from Szilar
d
's tal
k
at GTC2
0
15
commit
|
commitdiff
|
tree
2015-03-19
Mar
k
Abra
h
am
Made
error
m
essage mo
r
e gener
i
c
commit
|
commitdiff
|
tree
2015-03-19
Mark
Abraham
Extend Fo
r
c
e
sub
-
cou
n
ters
commit
|
commitdiff
|
tree
2015-03-04
Berk Hess
Allo
w
p
ull
grou
p
s of 1
a
tom with ma
s
s 0
commit
|
commitdiff
|
tree
2015-03-03
Rolan
d
Schulz
nbnxn ut
i
ls performance improvement for P
h
i
commit
|
commitdiff
|
tree
2015-03-03
Ma
r
k Abraham
Move mdrun
si
g
n
a
lling
c
o
d
e
commit
|
commitdiff
|
tree
2015-03-02
Mark Abraham
Ru
n
re
p
l
ica-exc
h
ange tes
t
s with MPI
e
nabled
commit
|
commitdiff
|
tree
2015-02-25
Mark Abraham
N
ew and
r
eorganized
d
ocumentat
i
on
commit
|
commitdiff
|
tree
2015-02-24
A
ke Sandgren
T
h
e test for HAVE
_
CXX11_REGEX
fails since it doesn
.
.
.
commit
|
commitdiff
|
tree
2015-02-24
Ake Sandgren
Check
s
should
u
se
co
r
r
e
ct CMAKE_REQUI
R
E
D
_ variables
commit
|
commitdiff
|
tree
2015-02-24
Erik Linda
h
l
Added AVX-51
2
ER S
I
MD
s
u
p
port
commit
|
commitdiff
|
tree
2015-02-13
M
ark A
b
raham
F
i
x mdrun-onl
y
bui
l
d
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murto
l
a
R
e
plac
e
more [BR] with rst bullet
lis
t
s
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtol
a
Move fl
o
w
char
t
f
rom o
l
d-htm
l
to S
p
hinx
commit
|
commitdiff
|
tree
2015-02-13
T
eemu Murtola
Make (most) HTML links to file
f
orma
t
s wo
r
k aga
i
n
commit
|
commitdiff
|
tree
2015-02-13
Tee
m
u Murtola
Conve
r
t file
f
ormat descriptions to
r
st
commit
|
commitdiff
|
tree
2015-02-04
Mark Abraham
Implement user gu
i
de
commit
|
commitdiff
|
tree
2015-02-02
Ma
r
k Abraham
Merge branch release-
5
-0
commit
|
commitdiff
|
tree
2015-02-02
Mar
k
Abraham
Avoid
near-si
l
ent g
e
n
e
rat
i
on
o
f zer
o
e
n
ergies
commit
|
commitdiff
|
tree
2015-01-23
Joh
n
Baxt
e
r
C
le
a
ns up st
e
epest de
s
cent initia
l
potential
h
ack
commit
|
commitdiff
|
tree
2015-01-23
M
a
rk Abrah
a
m
Update Fin
d
C
U
D
A
work-a
r
o
u
n
d
commit
|
commitdiff
|
tree
2015-01-22
Jo
h
n
Baxter
Cha
n
ged "struct
s
wa
p
"
to "struct t_swap"
commit
|
commitdiff
|
tree
2015-01-20
Mark Abra
h
am
Re
m
oved gmx_header_config
.
h
commit
|
commitdiff
|
tree
2015-01-15
Mark Abra
h
am
Merge branch relea
s
e-5-0
commit
|
commitdiff
|
tree
next