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Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5-patches
2010-11-05
Sz
i
l
a
rd Pa
l
l
Merge branch 'release-4-5-pat
c
h
e
s' of git
.
gromacs
.
or
g
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szila
r
d Pall
now it's
possib
l
e t
o
r
un bi
n
aries in the build tree
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Sz
i
la
r
d Pall
Merge branch 're
l
ease-4
-
5-
p
atches'
of git
.
groma
c
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
zilard
P
a
l
l
enabled GMX_PRE
F
E
R_STATIC_L
I
BS CMake
option for
C
Y
GWIN
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
fixed the defa
u
l
t
for OpenMM p
l
ugin dir
loca
t
ion (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard
Pall
fixed
make install
-
mdrun issue (b
u
g
#
605)
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
(re
)
ad
d
ed
"-dev" su
f
f
ix
for the CMake hard
c
oded version
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szi
l
ard
Pall
added C
M
ake option GM
X
_PREFER_STATI
C
_LIBS (also
f
i
xes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Szilard Pall
fix
e
d syn
t
ax error f
r
om
c
o
mmit bd
5
b272
4
commit
|
commitdiff
|
tree
2010-10-05
Szilard Pa
l
l
impr
o
ved op
t
ion compatibility checking with OpenMM
commit
|
commitdiff
|
tree
2010-10-01
Szilar
d
Pall
m
a
k
e
install
-
mdr
u
n now installes sha
r
ed libs
(f
i
x
for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
S
z
ilard Pall
FindFFT?
[
F] script
s
c
an use a path provided in FFTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilar
d
Pall
F
ix
e
d binar
y
/lib suf
f
ixing in
c
onsistenci
e
s (bug 539)
commit
|
commitdiff
|
tree
2010-09-07
Szilard Pall
f
ixed war
n
ing
s
c
ause
d
b
y some
uni
n
itialized variables
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
Mark advanced
v
ariabl
e
s
/options that are not relevant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szilard P
a
ll
M
ark
a
d
v
ance
d
GMX_BI
N
ARY_SUFFIX and
GM
X
_
LIBS_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
S
z
ilard Pall
Updat
e
d list of s
u
pported
G
PUs
commit
|
commitdiff
|
tree
2010-08-31
S
zilard Pall
M
e
rge branch
'release-4-5-patches' of
g
it://git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
zilard Pall
Improved option disablin
g
on switc
h
in
g
to OpenMM build
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szila
r
d
Pall
fixed/imp
r
oved cmake FFTW3
d
et
e
ct
i
o
n
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
mino
r
a
d
dition to previus gcc 4
.
1
.
x
disa
b
ling com
m
it
commit
|
commitdiff
|
tree
2010-08-03
Szilard P
a
l
l
R
emoved gcc 4
.
1
.
x check as bu
g
431 turned out to
b
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pa
l
l
additional fix to commit
c
5d62af
0
7d01b8, now libm
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pal
l
Mer
g
e b
r
anch 'master' of git@git
.
g
r
o
macs
.
org:
g
ro
m
acs
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pall
c
make suppor
t
f
o
r user-defined binary prefixes, custom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szilard
P
al
l
Merge bran
c
h 'master' of git@git
.
gr
o
m
acs
.
org:gr
o
m
a
cs
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pall
F
ixed GCC ve
r
sion
checking i
n
cmake
commit
|
commitdiff
|
tree
2010-06-17
S
zilard Pall
Merge branch
'
mast
e
r' of g
i
t
@
g
it
.
gromac
s
.
o
r
g:gr
o
macs
commit
|
commitdiff
|
tree
2010-06-17
Sz
i
lar
d
Pall
fix
e
d minor b
u
g
in openmm_w
r
apper
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
S
zi
l
ard Pal
l
Implemen
t
ed
(
buggy)
g
cc 4
.
1
.
x che
c
k in cmak
e
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fixe
d
warnings
i
n gm
x
_gpu_u
t
i
ls and openmm_wrapper
commit
|
commitdiff
|
tree
2010-06-10
S
z
ilard P
a
ll
Merg
e
branch 'maste
r
' of
g
it@git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fixed logging outp
u
t in do_m
d
_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szilard Pal
l
Mer
g
e branch
'master' of git@git
.
g
r
omacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szila
r
d
Pall
Merge
branc
h
'mas
t
er'
of
g
i
t@g
i
t
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
S
z
ilard Pa
l
l
fixe
d
OpenMM
i
nteracti
o
n type
check
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
minor fix
e
s
in di
t
ribution fil
e
s
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Merge
branc
h
'm
a
ster' of g
i
t
@
git
.
gromac
s
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-31
Szilar
d
Pall
Updated READM
E
and INS
T
ALL files, added README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Fixed typo
in CMakeL
i
sts
f
or m
d
run-g
p
u
commit
|
commitdiff
|
tree
2010-05-30
Sz
i
lard Pall
O
p
enMM:
added combinatio
n
r
u
le
c
hec
k
, dis
a
bl
e
d res
t
rain
t
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Fix for MSVC li
n
king and rel
e
ase-build
OpenMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Sz
i
lard Pall
Fixed
some compi
l
er warinigs, minor bugs and
documentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szi
l
ard Pall
M
erge bra
n
c
h
'
master'
o
f git@git
.
gromac
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
fix
e
d
the PME toler
a
nce "adjustment"
for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard P
a
ll
M
erge br
a
n
c
h
'mast
e
r' of git@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
r
d
Pall
F
i
x in openmm_wrapp
e
r
which makes it
w
ork
with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
r
d
Pall
fi
x
ed
signal han
d
ling in md_open
m
m
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Mer
g
e b
r
anch 'master'
of git@git
.
g
roma
c
s
.
or
g
:
g
romacs
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard Pall
m
i
nor fi
x
es in
d
ocume
n
t
a
tion + some debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added os-speci
f
ic defines from c
m
ake
r
equired by
memtestG80
commit
|
commitdiff
|
tree
2010-05-10
Sz
i
lard Pal
l
MSVC f
i
x fo
r
gmx_para
l
lel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard P
a
ll
only issue o
p
e
n
mm constr
i
nts warning if co
n
str
a
i
n
s
t
a
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
all
Merge branch '
m
aste
r
'
o
f
g
i
t
@
gi
t
.
gromacs
.
o
rg:groma
c
s
commit
|
commitdiff
|
tree
2010-05-07
Szilard P
a
ll
tempo
r
ary fix for
c
ompilatio
n
e
rror with GMX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge branch 'master' of git@git
.
gromacs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
lar
d
Pall
Merge b
r
anc
h
'master' of git@git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
zi
l
ar
d
Pall
add
e
d
g
romacs f
i
le
h
ea
d
er
s
t
o the OpenMM-related f
i
le
s
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pall
minor fixes, docume
n
tation and s
l
ight API cha
n
ge in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
minor updates t
o
F
i
n
dGit and FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pall
updated FindCU
D
A to ve
r
sion
f
rom cmake 2
.
8
.
1
for CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
S
zilard Pall
M
e
rge
branc
h
'ma
s
ter' of git@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-04-20
Szila
r
d
Pa
l
l
d
o
x
y
g
e
n comments for
t
he OpenMM
part
commit
|
commitdiff
|
tree
2010-04-16
Sz
i
l
a
rd
Pall
a
dded do
c
umenta
t
i
o
n
for t
h
e openmm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
S
zilard
P
all
forma
t
ting fix
o
f
openmm
w
rapper
- gromacsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
S
zilard Pa
l
l
clea
n
ed up a bun
c
h op m
e
ss i
n
do_md_o
p
enmm
commit
|
commitdiff
|
tree
2010-04-13
Szi
l
ard Pall
bugfix for do_md_openmm - was always pulling d
a
ta from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szila
r
d Pall
f
ixed
timing bug in do_m
d
_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szil
a
rd Pall
add
e
d some more supp
o
rted GPUs (high-end m
o
bil
e
and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szil
a
rd
Pall
Merge br
a
nch 'master' of git@git
.
gromacs
.
o
rg:gromac
s
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
n
ow g_bar looks for lambda
on
l
y in the last
direc
t
ory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
S
z
i
lar
d
Pall
F
i
x
e
d g_bar bug in lambda value pars
i
ng f
r
o
m
path
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pall
fi
x
ed gmxGenerateVersionInfo
.
cmake to pro
d
u
c
e 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szi
l
ard Pall
The
c
make developme
n
t
information gene
r
ating works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
z
i
lard Pall
added FindGit
.
cm
a
ke scr
i
pt
commit
|
commitdiff
|
tree
2010-03-28
Szilard
P
all
fix for gmxGener
a
teVersionInfo
.
cmake, now wo
r
ks
w
ith
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
fixed USE_VER
S
ION_H C
m
a
k
e option
commit
|
commitdiff
|
tree
2010-03-18
Szil
a
r
d
Pall
Merge
branch
'
mast
e
r
'
of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-18
Szilard P
a
ll
fixed th
e
proble
m
of version
.
c not being built at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szi
l
ard Pall
added miss
i
n
g VERSI
O
N prefix to _gmx_ver_string
commit
|
commitdiff
|
tree
2010-03-16
S
zilard Pa
l
l
fi
x
f
o
r genversion
.
s
h to recognize
t
he git://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Merge bran
c
h 'master' of git@git
.
g
romacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-03-16
Szi
l
ard Pall
C
m
ake im
p
leme
n
tation to generat
e
develop
m
ent build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
Fi
x
ed d
e
adloc
k
occuring in gmx_fatal
.
c
:
introdu
c
ed
.
.
.
commit
|
commitdiff
|
tree