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fixed warnings caused by some uninitialized variables
2010-09-07
Szila
r
d
Pa
l
l
fix
e
d warnings caused b
y
some
unin
i
tialized var
i
ables
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
M
a
rk advanced variab
l
es/opt
i
ons that are no
t
rel
e
van
t
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
Mark advanced
GMX_BINARY_SUF
F
I
X
and
GMX_LIBS_SU
F
FIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szilard Pall
Updated l
i
st
of
s
upported GPUs
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
Merge branch '
r
elease-4-5-patc
h
es' o
f
g
it:
/
/git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
I
m
pr
o
ved option disa
b
li
n
g
o
n switching to OpenMM bu
i
ld
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard P
a
ll
fixe
d
/improved cmak
e
FF
T
W3 detectio
n
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
minor addition to p
r
evius gcc
4
.
1
.
x dis
a
bli
n
g co
m
mi
t
commit
|
commitdiff
|
tree
2010-08-03
S
zilard Pall
Removed gcc
4
.
1
.
x chec
k
as bug 431 tu
r
ned
o
ut to be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
S
z
i
l
ard
Pall
a
d
d
it
i
on
a
l
fix
t
o
c
o
m
mit c5d62af07d01b8, now libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilar
d
Pal
l
Merge b
r
an
c
h 'master' of git@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-24
Szil
a
r
d
Pall
c
m
ake support for user-defi
n
ed binary prefix
e
s, cu
s
tom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pall
Merge branch
'mast
e
r' o
f
git
@
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-20
Szilard
Pa
l
l
Fixed GCC ver
s
ion checkin
g
in cm
a
ke
commit
|
commitdiff
|
tree
2010-06-17
Sz
i
l
ard Pa
l
l
Merge bran
c
h 'm
a
ster' of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pall
fixed mino
r
bug in openmm_wrapper
.
c
p
p
commit
|
commitdiff
|
tree
2010-06-17
S
z
i
lard Pall
Implemented (
b
uggy) gcc 4
.
1
.
x
c
hec
k
in
c
make
.
commit
|
commitdiff
|
tree
2010-06-10
Sz
i
lard
P
al
l
fixed
warnin
g
s in gmx_gpu
_
utils and
o
p
enmm_wrapper
commit
|
commitdiff
|
tree
2010-06-10
S
zila
r
d Pall
Merge bra
n
ch 'master' of gi
t
@git
.
grom
a
cs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-06-10
Sz
i
lard Pall
fixed log
g
ing outpu
t
in do_md_openmm
commit
|
commitdiff
|
tree
2010-06-03
Sz
i
lard Pall
M
e
rge branch 'master' of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
Merge branch 'master' of git@
g
it
.
gromacs
.
org
:
grom
a
cs
commit
|
commitdiff
|
tree
2010-06-01
S
zi
l
ard Pall
fixed O
p
enMM
interaction
type check
commit
|
commitdiff
|
tree
2010-05-31
Szil
a
rd Pall
m
inor fix
e
s in d
i
tri
b
ution file
s
commit
|
commitdiff
|
tree
2010-05-31
S
zilard
P
a
ll
Merge branch
'
master' of
git@git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-31
Szila
r
d Pall
Updated README and INSTA
L
L files,
a
d
ded README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Sz
i
lar
d
Pall
Fixed typ
o
in CMa
k
eLis
t
s for mdrun
-
g
pu
commit
|
commitdiff
|
tree
2010-05-30
Szilard P
a
ll
Op
e
nMM: added combination rule chec
k
,
disab
l
ed restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Fix for MSVC
linking
a
nd release-build Op
e
nM
M
plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szil
a
rd Pall
Fixe
d
some c
o
m
p
iler warinigs
,
minor bugs a
n
d documentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
Me
r
ge branc
h
'
m
aster' of git
@
git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
fixed
the PME tolerance "adjustmen
t
" for OpenM
M
commit
|
commitdiff
|
tree
2010-05-12
S
zilard
P
a
ll
M
e
rge branc
h
'
m
aster' of g
i
t@git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Fix in openm
m
_
wrapp
e
r
which
m
a
kes it wor
k
w
i
th MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
a
r
d
Pall
fi
x
e
d
s
i
gnal handling in md
_
openm
m
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Mer
g
e branc
h
'master' of git@git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pall
minor f
i
xes in docu
m
en
t
at
i
on +
s
o
m
e debugging c
o
de
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd
Pall
added os
-
speci
f
ic defines from c
m
a
k
e required by
memtestG8
0
commit
|
commitdiff
|
tree
2010-05-10
S
z
ilard Pall
MSVC f
i
x for gmx_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pal
l
only
i
ssue ope
n
mm constr
i
nts
w
arning if constrain
s
ta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
lar
d
P
a
l
l
M
erge branch 'm
a
ster' of gi
t
@git
.
g
r
omacs
.
o
r
g:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-07
Szilard
Pall
temporar
y
fix for compilation error with GMX
_
OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pall
M
er
g
e bra
n
ch
'ma
s
ter' of git@gi
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
Merge b
r
anch 'master'
o
f git
@
g
i
t
.
g
r
omacs
.
or
g
:
g
romacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
ad
d
ed groma
c
s file
h
eaders to th
e
OpenMM-re
l
ated
f
i
l
es
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pa
l
l
mi
n
or fixes, d
o
c
umenta
t
ion and sli
g
h
t API change
i
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
P
a
ll
minor
u
pda
t
es t
o
FindGit and Fi
n
dOpenMM
commit
|
commitdiff
|
tree
2010-05-07
S
z
ila
r
d Pall
u
p
dated F
i
ndCUDA to version from cma
k
e
2
.
8
.
1 for
C
UDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Sz
i
lard Pall
Me
r
ge bra
n
ch '
m
aster' of g
i
t@git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-04-20
Szil
a
rd Pall
doxygen
comm
e
nts
f
o
r
the Open
M
M
p
ar
t
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
added
d
ocume
n
tation for t
h
e
o
p
en
m
m_wrapper
commit
|
commitdiff
|
tree
2010-04-16
Szilard
Pall
for
m
atting fix of openmm
w
r
a
pper - gromacsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
cleaned up a
bunch op mess in do_md_o
p
enmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
b
ugfix for do_md_open
m
m - was alw
a
ys pullin
g
da
t
a from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
f
i
x
ed timing bug
in do_
m
d_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szila
r
d Pall
ad
d
e
d s
o
me
m
ore su
p
p
orted GP
U
s (h
i
gh
-
end mobile a
n
d
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pal
l
Merge branch 'master' of git@git
.
gromacs
.
o
rg:gromac
s
commit
|
commitdiff
|
tree
2010-04-06
S
zilard
P
all
now
g
_bar looks for lambda only i
n
t
h
e last directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard Pall
Fixed g_b
a
r
bug in lambda
v
alue pars
i
ng fr
o
m path
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pall
fixed gmxGenerateVersi
o
nIn
f
o
.
cma
k
e
to p
r
oduc
e
8 di
g
it
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szi
l
ard Pall
The cmake deve
l
opment informa
t
ion
genera
t
ing works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
z
ilard Pall
added FindGi
t
.
c
m
ake script
commit
|
commitdiff
|
tree
2010-03-28
Szi
l
ard Pal
l
fix for gmxGenerateVersionI
n
fo
.
cmake, no
w
works with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilar
d
Pal
l
fixed USE_VE
R
S
I
ON_H Cma
k
e opti
o
n
commit
|
commitdiff
|
tree
2010-03-18
Szilard
P
all
M
er
g
e bra
n
ch '
m
aster' of git@git
.
gr
o
macs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
fixed
the probl
e
m
of ve
r
sion
.
c n
o
t being b
u
il
t
at
the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Sz
i
lard Pa
l
l
added missing VERSIO
N
p
refix to _gmx
_
ver_string
commit
|
commitdiff
|
tree
2010-03-16
S
zil
a
rd
P
a
l
l
f
i
x fo
r
genversion
.
sh
t
o
r
e
cognize the git://
.
.
.
/gromac
s
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Sz
i
lar
d
P
all
M
erge branch 'master
'
of
g
it@git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-16
S
zilard P
a
ll
C
m
a
k
e i
m
plemen
t
ation to ge
n
e
rate development b
u
ild
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szila
r
d Pall
F
i
xed de
a
d
lock occur
i
ng in gmx_fatal
.
c: introduced
.
.
.
commit
|
commitdiff
|
tree