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Fixed typo in CMakeLists for mdrun-gpu
2010-05-31
Sz
i
lard Pall
Fixed
t
ypo in CMa
k
eLi
s
t
s
for m
d
ru
n
-gpu
commit
|
commitdiff
|
tree
2010-05-30
Szi
l
ard Pall
O
penMM: ad
d
ed combination rule
c
h
eck, di
s
abl
e
d restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szila
r
d Pall
F
ix for MSVC linkin
g
a
n
d release
-
buil
d
OpenMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard Pal
l
Fixed some c
o
mpiler warinigs, minor bugs and
docu
m
ent
a
tion
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
S
zilard Pall
M
erge branch
'
m
a
s
ter
'
of git@git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-19
S
zilard Pall
fixed the PME tole
r
a
n
ce "adj
u
stment" for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szilard P
a
ll
M
erge br
a
nch 'ma
s
t
e
r' o
f
g
it
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard Pall
Fix
i
n
o
penmm
_
wrapper which m
a
kes
i
t work
w
ith MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
f
ixe
d
signal handling in md_openm
m
commit
|
commitdiff
|
tree
2010-05-12
Szilard P
a
ll
Merge branch 'master' of git@git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard Pall
mino
r
fixes in do
c
ume
n
t
a
t
ion +
s
ome debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added o
s
-s
p
ecific
defines from cmake r
e
quired by
memtestG80
commit
|
commitdiff
|
tree
2010-05-10
S
zilard Pall
MSVC fi
x
for gmx_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
only issu
e
o
p
enmm co
n
strint
s
warn
i
ng
i
f constrainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
M
e
r
ge branch 'm
a
s
t
er' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd Pall
t
e
m
p
orary fix for co
m
p
i
lati
o
n erro
r
with GMX_
O
PEN
M
M=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge branch 'ma
s
ter' of
git@
g
it
.
g
romac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merg
e
b
r
a
n
ch 'master
'
of git@
g
i
t
.
g
romacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pall
a
d
ded gromacs fil
e
headers to the OpenMM-
r
elated
fil
e
s
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
r
d
P
all
minor fixe
s
,
d
ocu
m
ent
a
tion and
sli
g
h
t
A
P
I cha
n
ge in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
m
inor updat
e
s to Fi
n
d
Git
a
nd Fin
d
OpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
updated FindCUDA to version from cmake 2
.
8
.
1 for
CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szi
l
ard Pall
Merge branch
'
maste
r
' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Sz
i
lard Pall
doxygen
c
o
m
m
e
nts for the
O
penMM
part
commit
|
commitdiff
|
tree
2010-04-16
Szil
a
rd Pall
added
d
ocumentation
f
o
r the ope
n
mm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
S
zilard Pall
f
o
rmatting
f
ix of ope
n
mm
w
r
a
pp
e
r - gro
m
ac
s
ified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pa
l
l
cleaned up a
bun
c
h
op
m
ess in do_md_ope
n
mm
commit
|
commitdiff
|
tree
2010-04-13
Szila
r
d Pall
bugfix for do_md_openmm -
was always pulling data
f
r
o
m
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
S
z
ila
r
d P
a
ll
fix
e
d timi
n
g bug
in do
_
m
d_o
p
enmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
added some mor
e
supported GPUs (high
-
end mo
b
ile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szil
a
rd
Pall
Merge branch 'master' of git@
g
it
.
g
rom
a
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-04-06
Szila
r
d Pall
now
g_bar loo
k
s
for lambda only
i
n the l
a
st
d
i
r
ec
t
ory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szil
a
rd
P
all
Fixed g_
b
ar
b
ug in lambda value parsing f
r
om
path
.
commit
|
commitdiff
|
tree
2010-03-29
Szil
a
r
d Pall
f
i
xe
d
gmxGenerate
V
ersionInfo
.
cmak
e
to produce 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pal
l
The cmak
e
de
v
elopment
i
n
f
o
rmation
gener
a
ting works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard
P
all
a
d
d
ed FindGit
.
cma
k
e
s
crip
t
commit
|
commitdiff
|
tree
2010-03-28
S
z
ilard Pall
fix fo
r
gm
x
Ge
n
e
rateV
e
rsio
n
Info
.
cma
k
e, now works w
i
th
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard
P
all
f
i
xe
d
US
E
_
V
ERSION_H Cmak
e
option
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
Merge
b
ra
n
ch 'master' o
f
git
@
git
.
gr
o
m
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-18
Szi
l
a
rd Pall
fixed the p
r
oblem of version
.
c
n
ot b
e
ing built at th
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Sz
i
lard P
a
ll
ad
d
ed mi
s
sing VERSI
O
N
p
refix
t
o _gmx_ver_strin
g
commit
|
commitdiff
|
tree
2010-03-16
S
zilar
d
Pall
fix for genve
r
s
i
o
n
.
sh to
r
ec
o
gn
i
ze
t
he
g
it://
.
.
.
/gr
o
macs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Merge
bra
n
ch 'master' of git@g
i
t
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pal
l
Cmake
i
mplementa
t
ion to ge
n
e
r
at
e
devel
o
pmen
t
build
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
O
penMM bu
i
ld not
dependent on fftw anym
o
re
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
fi
x
ed mdrun verbosi
t
y wi
t
h Op
e
nMM build
commit
|
commitdiff
|
tree
2010-03-11
Szilard
Pall
fixed a missing comma a
n
d a
typo in openmm
_
wrapper
commit
|
commitdiff
|
tree
2010-03-11
S
z
i
l
a
rd Pall
Del
e
te src/kernel/do
_
md_op
e
nmm_nopatc
h
.
h, it's
n
ot
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
S
zilard Pall
Minor cleanup, some
r
e
a
rranga
m
e
n
t
s
, a
n
d
comment
i
ng
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Rever
t
ed stupi
d
change i
n
CMale
L
is
t
s
.
tx
t
commit
|
commitdiff
|
tree
2010-03-11
S
zilar
d
Pall
Ren
a
m
e
d m
d
_openmm into
o
p
e
nmm_wrapper
,
a
n
d do_md_op
e
nmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
S
zilard Pall
Fixed d
e
adlock o
c
curing
i
n gmx
_
f
atal
.
c: int
r
oduced
.
.
.
commit
|
commitdiff
|
tree