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Bump patch version to prepare for 5.1.1
2015-08-14
Mark Abraham
Bump patch ve
r
s
i
on to prepare for 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark Abraham
Version 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
A
b
raham
Make it
e
asier to
find sel
e
ction help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abra
h
am
Re-en
a
ble
m
u
lti-G
P
U support
in Ope
n
C
L for
thread MPI
commit
|
commitdiff
|
tree
2015-08-13
Mark A
b
raham
Docume
n
t
ation
fixes
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
Abraha
m
Avoid F
P
exceptio
n
with empty
.
mdp file
commit
|
commitdiff
|
tree
2015-08-12
Mar
k
Abraham
Add
documen
t
a
t
i
on for en
e
rgygrps with GPUs
commit
|
commitdiff
|
tree
2015-08-12
Mark Abra
h
a
m
Add to
a
uthor lists
commit
|
commitdiff
|
tree
2015-08-11
Mark Abraham
Abort
i
f PME tuning
is active and counters reset
commit
|
commitdiff
|
tree
2015-08-10
M
ark Ab
r
a
h
am
Require tune_pme to take
-
mdrun parameter
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Merge branch release-5-0
i
nto release-5-1
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Fix docs of
f
types of di
h
edr
a
ls
commit
|
commitdiff
|
tree
2015-08-06
Mark Abraham
F
i
x FindNVML
.
cmake
commit
|
commitdiff
|
tree
2015-08-06
Mark Abraham
Fix thread-affi
n
ity ch
e
cking
commit
|
commitdiff
|
tree
2015-08-05
Mark Abraham
Fix em
d
ash in
n
e
w
r
e
f
erence
commit
|
commitdiff
|
tree
2015-08-04
Mar
k
A
b
r
aham
Merg
e
release-5-0
i
nto re
l
ease-5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark Abra
h
am
Fix use of
w
rongly-n
a
m
e
d GCC mino
r
-ve
r
si
o
n va
r
iab
l
e
commit
|
commitdiff
|
tree
2015-08-03
M
a
rk A
b
r
aha
m
Fix possible linking of libxml2 to zlib
commit
|
commitdiff
|
tree
2015-07-26
M
a
rk Abraham
M
e
rge
b
ranch relea
s
e-
5
-0 into
r
elease-
5
-1
commit
|
commitdiff
|
tree
2015-07-26
Mark Abra
h
a
m
Stop mdrun
p
r
inting
p
ote
n
tiall
y
undefine
d
value
commit
|
commitdiff
|
tree
2015-07-26
Mark Abra
h
am
Version bumps after new releas
e
commit
|
commitdiff
|
tree
2015-07-24
Ma
r
k Abraham
Version 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Mark A
b
r
a
ham
Upd
a
te
a
dvice abou
t
grompp -t
commit
|
commitdiff
|
tree
2015-07-08
Ma
r
k Abra
h
am
G
i
ve b
T
ypePerturbed a
v
a
l
i
d ini
t
ial value
commit
|
commitdiff
|
tree
2015-07-08
Mark Ab
r
aham
Fix grompp
.
edr IO esti
m
ate for f
r
ee-energy calc
s
commit
|
commitdiff
|
tree
2015-07-06
Ma
r
k
A
braha
m
First 5
.
1 release c
a
ndida
t
e
commit
|
commitdiff
|
tree
2015-07-03
Mark
A
braham
Fix ThreadM
P
I
GPU assumptions
commit
|
commitdiff
|
tree
2015-06-30
M
a
rk Abraham
Document
h
ow to add a
n
d
use
N
VML support
commit
|
commitdiff
|
tree
2015-06-30
M
a
rk A
b
raha
m
A
v
oid GPU
data r
a
c
e
also w
i
th
O
penCL
commit
|
commitdiff
|
tree
2015-06-30
Mark Abraham
Add suppor
t
for flushing WDDM
queue
commit
|
commitdiff
|
tree
2015-06-29
Mark
A
braham
Merge
"
Merge bran
c
h release-5-0"
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Merge branch release-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Documented b
u
ild type
s
in dev
e
lo
p
er guide
commit
|
commitdiff
|
tree
2015-06-29
Mark Ab
r
aham
Merge re
l
ease
-
4
-6
i
nto
re
l
eas
e
-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abrah
a
m
Ad
d
M
S
AN build
type
commit
|
commitdiff
|
tree
2015-06-29
Mark
Abraham
Fix
all use
o
f
nbnxn_simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
M
a
rk
A
braham
Merg
e
release-5
-
0 into master
commit
|
commitdiff
|
tree
2015-06-26
M
a
rk
A
b
r
aham
Me
r
ge release
-
4-6 into re
l
ease-
5
-0
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraham
Fix md
r
un -c
o
nfout
s
o
metimes affectin
g
final
.
e
d
r frame
commit
|
commitdiff
|
tree
2015-06-25
Ma
r
k Abrah
a
m
Merge
"Mer
g
e release-5-0 into mas
t
er"
commit
|
commitdiff
|
tree
2015-06-25
Mark Abra
h
am
M
e
rge release
-
5-0 into master
commit
|
commitdiff
|
tree
2015-06-24
Mark A
b
raham
Merge release-4-6
i
nto r
e
l
ease
-
5-0
commit
|
commitdiff
|
tree
2015-06-18
Mark
Abraham
Fix
t
ypo
in
G
MX
_
B
U
ILD_OWN
_
FFTW message
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraha
m
Stop p
e
ople installi
n
g into the
b
uild tree
commit
|
commitdiff
|
tree
2015-06-16
Mark Abr
a
h
am
Move code
f
or ma
n
aging mdrun
-cpi
a
nd
-
append
commit
|
commitdiff
|
tree
2015-06-16
M
a
rk Abraham
Fix pairs_nb not rec
o
g
nized as par
t
of moleculety
p
e
commit
|
commitdiff
|
tree
2015-06-16
Mark
A
br
a
ham
Add
u
nit test
s
for ArrayRef
commit
|
commitdiff
|
tree
2015-06-12
Mark Abraham
F
i
x comm
a
ndline
t
est d
a
ta
commit
|
commitdiff
|
tree
2015-06-11
M
ark Abraham
Merge "
M
erge branch release-
4
-6
i
nto release-5-
0
" into
.
.
.
commit
|
commitdiff
|
tree
2015-06-11
Mark Abraham
Handle ti
m
in
g
better in Jenkins
commit
|
commitdiff
|
tree
2015-06-11
Mark Abr
a
h
a
m
Cl
e
a
n
up vsite
interacti
o
n clean-u
p
code
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
Docu
m
ent limi
t
ati
o
ns of trjconv
-
dump
commit
|
commitdiff
|
tree
2015-06-09
M
a
r
k
Abrah
a
m
Merge
b
ranch
releas
e
-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-05
Mark Abraham
Remove gmx_sim
d
_
c
he
c
k_a
n
d_res
e
t_over
f
low
commit
|
commitdiff
|
tree
2015-06-04
Ma
r
k
Ab
r
aham
Fix naming from "Grom
a
cs" t
o
"
G
ROMACS"
commit
|
commitdiff
|
tree
2015-05-27
Mark Abraham
F
ix
warnings from
G
CC
5
commit
|
commitdiff
|
tree
2015-05-26
Mark
Abraham
Avoid po
s
sible
f
l
o
ating-
p
oint exception
commit
|
commitdiff
|
tree
2015-05-26
Mark A
b
raham
C
onvert ewald module t
o
C++
commit
|
commitdiff
|
tree
2015-05-26
Ma
r
k Abraham
Fix use of hard-c
o
ded temporary file
n
ame
commit
|
commitdiff
|
tree
2015-05-23
Mark
Abraham
Fi
x
misuse of gmx_si
m
d
_c
h
eck_and_reset_overflow
commit
|
commitdiff
|
tree
2015-05-21
Mark
Abraham
Add integration test fo
r
empty domai
n
commit
|
commitdiff
|
tree
2015-05-19
Mark Abraham
Add ch
e
cks for cor
r
ect
u
s
e
of
SIM
D
h
e
aders
.
commit
|
commitdiff
|
tree
2015-05-19
Mark
Abraham
Refactor F
F
TW set
u
p
commit
|
commitdiff
|
tree
2015-05-17
M
a
rk Abraham
Mer
g
e branch o
r
igin/rel
e
ase-5-0
commit
|
commitdiff
|
tree
2015-05-16
M
a
rk Abraham
Suppr
e
s
s GCC5
war
n
i
ngs
w
i
th internal Boost
commit
|
commitdiff
|
tree
2015-05-14
Mark Abraham
Fix own-FFTW build
commit
|
commitdiff
|
tree
2015-05-13
Mar
k
Abraham
Version
bumps aft
e
r
n
ew rele
a
s
e
commit
|
commitdiff
|
tree
2015-05-13
Mark Abraham
V
ersion 5
.
0
.
5
commit
|
commitdiff
|
tree
2015-05-12
Mark Abra
h
am
Fix uninitialize
d
fields in
g
r
om
p
p
t
_
st
a
te
commit
|
commitdiff
|
tree
2015-05-11
Mark Abr
a
ham
Work around gcc 5 warnings
w
ith Go
o
gle Te
s
t
commit
|
commitdiff
|
tree
2015-05-10
Mark Abraham
Merge "Merge bra
n
ch
release-5-
0
"
commit
|
commitdiff
|
tree
2015-05-09
Mark Abr
a
ham
Mer
g
e branch release-5-0
commit
|
commitdiff
|
tree
2015-05-06
Mark Abraham
F
i
xed rece
n
tly
-
i
ntr
o
duced couple-lambda w
a
r
n
ing message
commit
|
commitdiff
|
tree
2015-05-06
M
a
r
k Abra
h
am
Fix
SIMD unit tests o
n
BG
/
Q
commit
|
commitdiff
|
tree
2015-05-05
Mar
k
Abraham
Me
r
ge release-4-6 into
r
elease-
5
-0
commit
|
commitdiff
|
tree
2015-04-30
Mark Abraham
Mov
e
GPU impleme
n
t
ation to new interface
commit
|
commitdiff
|
tree
2015-04-28
Mark
A
b
r
aham
Add a
p
plic
a
tion-clock NVML
-
based
support
f
or
Q
uadro
.
.
.
commit
|
commitdiff
|
tree
2015-04-27
Mark
Abraham
C
l
ean up remna
n
ts in
m
d
r
un
commit
|
commitdiff
|
tree
2015-04-24
M
a
r
k
Abra
h
am
A
dd deve
l
o
per docs for new documentation
i
nfr
a
str
u
cture
commit
|
commitdiff
|
tree
2015-04-23
M
ark Abraham
Firs
t
be
t
a release of 5
.
1
commit
|
commitdiff
|
tree
2015-04-21
Mark Abr
a
ham
Merge "Merge branch release
-
5
-
0"
commit
|
commitdiff
|
tree
2015-04-17
Mark
Abraham
Add comment ab
o
ut Andersen themostat and c
o
nstraints
commit
|
commitdiff
|
tree
2015-04-09
Mark Abraham
Mer
g
e bra
n
c
h re
l
ease-5-0
commit
|
commitdiff
|
tree
2015-04-08
Mark Abraham
Upda
t
e mdrun Doxygen
commit
|
commitdiff
|
tree
2015-04-08
Mark Abraham
Made pme_
w
or
k
_
t
o
p
a
q
ue
commit
|
commitdiff
|
tree
2015-04-01
M
a
rk Ab
r
aham
I
nitialize n_tricvec
fiel
d
o
f
t_pbc always
commit
|
commitdiff
|
tree
2015-03-30
Mark A
b
r
a
ham
Improved man-page mach
i
ne
r
y
commit
|
commitdiff
|
tree
2015-03-19
Mark
A
braha
m
Mad
e
error me
s
sag
e
more gene
r
ic
commit
|
commitdiff
|
tree
2015-03-19
M
a
rk
Abrah
a
m
Extend Force
s
u
b
-counters
commit
|
commitdiff
|
tree
2015-03-13
Mark
A
braham
Made
G
PU warn
i
ng me
s
s
a
ges more user f
r
i
e
n
dly
commit
|
commitdiff
|
tree
2015-03-06
Mark Abraham
Re
s
tore wallcycle s
u
bcounter name
to "Bonded F"
commit
|
commitdiff
|
tree
2015-03-05
Mark Abraham
Fix And
e
rsen
therm
o
s
t
a
t
s
commit
|
commitdiff
|
tree
2015-03-03
Mark
A
bra
h
am
Re-implement gmx tune_pme
-cpi
commit
|
commitdiff
|
tree
2015-03-03
Ma
r
k Abr
a
ham
M
o
v
e
mdrun signal
l
ing c
o
de
commit
|
commitdiff
|
tree
2015-03-03
M
a
rk Abrah
a
m
A
d
d t
e
st that plain multi-simulation works
commit
|
commitdiff
|
tree
2015-03-02
Mark Ab
r
aham
Ru
n
r
eplica-exchange
t
ests
with MPI enabled
commit
|
commitdiff
|
tree
2015-03-02
Mark Abraha
m
A
dd in
f
rastruct
u
re for running MPI integration
t
e
st
s
commit
|
commitdiff
|
tree
2015-02-25
Mark Abraham
New and reor
g
an
i
zed
documentation
commit
|
commitdiff
|
tree
2015-02-25
Mark Abr
a
ham
Add content
to
u
s
er
g
uide
commit
|
commitdiff
|
tree
2015-02-25
M
ark A
b
raham
Split pme
.
c into mul
t
iple files
commit
|
commitdiff
|
tree
next