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Merge branch 'release-4-5-patches' into release-4-6
2012-02-29
S
z
ilard
P
all
Merge branch 'r
e
lease-4-5-pa
t
ches' i
n
to release-4-6
commit
|
commitdiff
|
tree
2012-02-02
Szilard Pal
l
fixed confusing nonbonded kernel p
o
inter initia
l
ization
commit
|
commitdiff
|
tree
2012-02-02
R
oland Sc
h
u
l
z
Me
r
ges
i
n
threa
d
ing
b
ranch as one squashed
c
ommit
commit
|
commitdiff
|
tree
2012-01-17
S
zilard Pall
F
i
x
e
d timing measurements
.
commit
|
commitdiff
|
tree
2011-04-08
S
zilard Pall
fixe
d
g_tun
e
_pme
to
pas
s
correctl
y
boo
l
ean
a
r
g
u
me
n
ts
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
S
z
ilard Pall
added cmake wa
r
n
i
ng
w
h
en the
c
a
c
h
e
g
enerated
on anoth
e
r
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
S
z
ilard Pall
fixe
d
buggy det
e
ction
o
f
h
ostn
a
m
e and time of build
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
S
z
i
lard Pall
Merge
branc
h
'
r
elease
-
4-5-patch
e
s' of git
.
gromacs
.
o
rg
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
S
zilard
P
all
Merge branch
'release-4-5-p
a
tches' of git
.
g
r
o
m
acs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szilard Pall
n
ow
i
t's possible to r
u
n
b
inar
i
es in
the
b
uild
t
ree
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard
P
all
M
e
rge branch
'
release-
4
-5-p
a
tches' of gi
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szila
r
d Pall
enabled GMX_PREFER_STATIC_
L
I
BS CMak
e
option for CYGW
I
N
commit
|
commitdiff
|
tree
2010-10-29
Sz
i
lar
d
Pall
f
ixed the default
for
O
p
enMM plugin dir location (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szi
l
ard Pall
fixed
m
ake install-md
r
un issue
(
bug #605)
commit
|
commitdiff
|
tree
2010-10-29
Szilard
Pall
(re)ad
d
ed "
-
dev" suffix for th
e
C
Ma
k
e hard
c
oded v
e
r
s
io
n
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szi
l
ard
Pall
ad
d
e
d C
M
ake option GMX_PREFER_STATIC_LIBS (also fixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Szila
r
d
P
all
fix
e
d s
y
ntax error fro
m
c
ommit
b
d5b2724
commit
|
commitdiff
|
tree
2010-10-05
Szilard P
a
ll
impro
v
ed option com
p
atib
i
l
i
ty checking with OpenMM
commit
|
commitdiff
|
tree
2010-10-01
Szilard Pal
l
m
a
ke install-mdrun now installes sh
a
red
l
ibs (fix for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szilard Pall
Fin
d
FFT?[F] s
c
ripts can use a path provide
d
in
FFT
W
x
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pal
l
F
ixed bina
r
y/lib suffixing inconsi
s
tencies (bu
g
539)
commit
|
commitdiff
|
tree
2010-09-07
Szilard Pall
fixed w
a
rni
n
gs caused by some uninitial
i
zed variables
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
M
a
r
k
adv
a
nced varia
b
l
e
s
/options t
h
at
a
r
e
not relev
a
n
t
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
S
z
ilar
d
P
a
l
l
M
a
rk advanced GMX_BINARY
_
SUFFIX and G
M
X
_
LIBS
_
SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szilard Pa
l
l
Updated list of supported GPUs
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
Merge bra
n
ch 're
l
eas
e
-
4-5-patches
'
of git://git
.
groma
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
z
i
lar
d
P
all
Impro
v
e
d option disab
l
ing on switching to OpenMM bui
l
d
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
zilard P
a
ll
f
i
xed/impr
o
ved
c
make FFTW3 detection
commit
|
commitdiff
|
tree
2010-08-03
Szilard
P
all
minor additio
n
to previ
u
s gcc 4
.
1
.
x
d
isab
l
ing co
m
mi
t
commit
|
commitdiff
|
tree
2010-08-03
S
zila
r
d Pall
Remov
e
d
g
cc 4
.
1
.
x check as bug 431
t
urned out to b
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
S
zil
a
rd
P
all
additional fix to comm
i
t c5d62af07d
0
1b8, now libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szil
a
rd Pall
Mer
g
e branch 'mas
t
er' of
g
i
t@git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-06-24
Szil
a
r
d
Pall
cmake
s
uppo
r
t for us
e
r-def
i
ned binary pre
f
i
x
es, cus
t
om
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szilard P
a
l
l
Merge branch 'maste
r
' of git@git
.
gromacs
.
org
:
gr
o
macs
commit
|
commitdiff
|
tree
2010-06-20
Szi
l
ard
Pa
l
l
Fixed GCC versio
n
checking in cmake
commit
|
commitdiff
|
tree
2010-06-17
Sz
i
lard Pall
Merge br
a
nch
'
m
a
ster'
o
f git@gi
t
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-17
Szilard
P
a
l
l
fixed mi
n
or bug in
o
p
enmm_wrap
p
er
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pall
Imple
m
ented (buggy
)
gcc 4
.
1
.
x
c
h
eck in
c
make
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard P
a
ll
fixed warnings in gmx_gp
u
_util
s
and
openmm_wrapper
commit
|
commitdiff
|
tree
2010-06-10
Szil
a
r
d
P
all
Merge b
r
a
n
ch 'ma
s
t
e
r' of gi
t
@git
.
g
romacs
.
o
r
g:groma
c
s
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
f
i
xed logging output
in do_
m
d_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szilard Pa
l
l
Merge br
a
nch 'master
'
of gi
t
@git
.
gromac
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-01
Szilard
Pall
Merge branch 'mast
e
r' of git@git
.
g
rom
a
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-01
Sz
i
lard Pall
fixed OpenMM interaction type
c
heck
commit
|
commitdiff
|
tree
2010-05-31
S
z
ilard Pall
minor fi
x
e
s
i
n
d
itri
b
ution files
commit
|
commitdiff
|
tree
2010-05-31
S
z
ilar
d
Pall
M
e
rg
e
branch 'master'
o
f
git
@
g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Updated
R
EADME and INSTALL files, added README-GP
U
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szi
l
ard P
a
ll
Fixed typ
o
in CMakeLists
fo
r
mdrun-g
p
u
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Ope
n
MM:
added combination rule
ch
e
ck, di
s
a
b
led restrai
n
t
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
S
zi
l
ard
Pall
F
i
x f
o
r
M
SVC linking a
n
d rel
e
ase-bu
i
l
d O
p
enMM
plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard Pall
Fixed some compiler w
a
rinigs, minor bugs and
d
ocumentati
o
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szil
a
rd Pall
Merge b
r
anch
'
master' of git@git
.
groma
c
s
.
o
r
g:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
fixed the PME tolera
n
ce "adjust
m
ent" for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ar
d
Pall
Merge branch '
m
aster' of git@g
i
t
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pa
l
l
F
i
x
in
o
p
e
nm
m
_wrapper which mak
e
s it wor
k
w
i
t
h
MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard Pa
l
l
fixed signal
handl
i
ng in
m
d_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pall
Merge b
r
anch
'
m
a
ste
r
' of git@gi
t
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-05-12
S
z
ilard Pal
l
minor fixes
in documentation + some deb
u
g
g
ing code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard P
a
ll
adde
d
os-specifi
c
defines from c
m
a
ke
required
b
y memte
s
tG8
0
commit
|
commitdiff
|
tree
2010-05-10
S
zila
r
d Pall
MSVC fix for g
m
x_parallel_3
d
fft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szil
a
rd Pall
only
i
ssue op
e
n
mm const
r
i
n
ts warning
i
f
c
o
ns
t
rains
t
a
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Me
r
ge bran
c
h 'master' o
f
g
i
t@git
.
g
romacs
.
org:
g
rom
a
cs
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard P
a
ll
tempo
r
ary
fi
x
for compila
t
ion error
w
ith GM
X
_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szila
r
d Pall
M
e
rge b
r
a
n
ch '
m
aster
'
of git@git
.
gr
o
macs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
lard Pall
Merge b
r
anch 'mas
t
e
r' of git@git
.
g
romacs
.
org
:
g
r
omacs
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pal
l
adde
d
gromacs file
h
eaders
t
o
t
he OpenMM-relate
d
files
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd
Pall
minor fixes
,
documentation and s
l
ight API change
in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szila
r
d
Pall
minor up
d
a
tes to FindGi
t
a
nd FindOpe
n
MM
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
updated FindCUDA t
o
version from cmake 2
.
8
.
1 for C
U
DA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szil
a
r
d
P
all
Merge branch 'mast
e
r' of git@git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
S
zilard
P
all
doxygen
c
omme
n
ts for the OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
Szilard P
a
ll
adde
d
docume
n
tati
o
n
for
t
he o
p
enmm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
Szilard
P
a
ll
f
ormatting fi
x
of openmm wrapper - g
r
o
m
acsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
lard Pall
cleaned up
a bunch o
p
mess
in
do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard
P
all
bugfix for
do_m
d
_openmm
-
was
a
lw
a
ys pulling data f
r
o
m
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
S
z
ilard
P
all
fixed timing bug in do_
m
d
_
openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
a
d
d
ed some more s
u
p
por
t
e
d
GPUs (
h
i
g
h-
e
nd
m
o
bile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
S
z
ilard Pall
Me
r
ge b
r
a
n
c
h 'master' o
f
git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pal
l
now g_ba
r
looks for la
m
b
d
a only in
the last
directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szila
r
d Pall
Fi
x
ed g_b
a
r bug in lambda value pa
r
sing from
path
.
commit
|
commitdiff
|
tree
2010-03-29
S
z
ilard Pall
fixed gmx
G
enerateV
e
rsionInfo
.
cmak
e
to prod
u
ce 8 d
i
git
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
zi
l
a
r
d Pall
The cm
a
k
e development
information
generating wo
r
ks
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
zilar
d
Pa
l
l
add
e
d Fin
d
G
i
t
.
cma
k
e
script
commit
|
commitdiff
|
tree
2010-03-28
Szilar
d
Pall
f
i
x for gmxGenerate
V
e
rsionInfo
.
c
m
ake,
n
ow wor
k
s
w
ith
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szila
r
d
Pall
f
i
x
ed USE_VERSI
O
N_H Cmake opti
o
n
commit
|
commitdiff
|
tree
2010-03-18
S
z
ilard
P
all
Merge branch
'master'
o
f git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-18
Szilar
d
Pall
fixed the p
r
o
bl
e
m of vers
i
on
.
c not being bu
i
lt at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
ad
d
ed missing VER
S
ION pref
i
x to _gmx_ver_string
commit
|
commitdiff
|
tree
2010-03-16
Sz
i
l
ard Pall
fix
f
o
r g
e
nver
s
io
n
.
sh to
recognize the git://
.
.
.
/
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szil
a
rd Pall
Merge branch 'm
a
ster' of gi
t
@
git
.
gromacs
.
org
:
g
r
oma
c
s
commit
|
commitdiff
|
tree
2010-03-16
S
z
il
a
rd
P
a
ll
Cmake i
m
plementation to genera
t
e deve
l
op
m
ent
build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
Fixed dea
d
lock occuring in gmx_fat
a
l
.
c:
i
n
t
r
o
d
uced
.
.
.
commit
|
commitdiff
|
tree