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fixed warnings in gmx_gpu_utils and openmm_wrapper
2010-06-10
Szil
a
rd Pall
f
i
xed warnings in gmx_gpu_utils and open
m
m
_wrapper
commit
|
commitdiff
|
tree
2010-06-10
Szilar
d
Pal
l
Merge branch '
m
aster' of git@git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fi
x
ed logging output in do_md_openm
m
commit
|
commitdiff
|
tree
2010-06-03
Szi
l
ard Pall
Me
r
ge
b
ranch 'master' of git@git
.
g
r
omacs
.
org:g
r
o
ma
c
s
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
Mer
g
e br
a
nch 'ma
s
ter' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Sz
i
lar
d
P
all
fi
x
e
d OpenMM inte
r
a
c
tion ty
p
e check
commit
|
commitdiff
|
tree
2010-05-31
Szilard
P
all
minor
f
i
xes in
d
itr
i
bu
t
ion
files
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Merge
branc
h
'm
a
ster'
o
f git@git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-31
Szi
l
ard Pall
Upd
a
ted README an
d
INSTALL
f
iles, added RE
A
DME-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Fixed typo
i
n CMakeLists fo
r
mdrun-gpu
commit
|
commitdiff
|
tree
2010-05-30
Szilard
Pal
l
O
p
enMM: added
combination
rul
e
ch
e
c
k,
disab
l
ed restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Sz
i
lard Pall
F
ix
for MSVC linkin
g
and release-buil
d
O
p
enMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szil
a
r
d
Pall
Fixed som
e
c
o
m
pi
l
er war
i
nigs
,
minor
b
ugs an
d
do
c
u
m
e
ntatio
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard
P
all
Merge br
a
nch 'mas
t
er' of git@git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-19
Szi
l
ard Pall
fixed th
e
PME t
o
lerance "adj
u
stment"
for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d
Pall
M
e
r
ge bran
c
h 'mas
t
er' of git@git
.
g
r
o
m
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
z
ila
r
d Pall
Fix i
n
openmm_w
r
apper wh
i
ch mak
e
s i
t
work
w
ith MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
a
rd Pall
f
i
x
ed signal
h
andl
i
ng in md_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pall
Merge branch 'master' of git@gi
t
.
grom
a
c
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
z
i
l
ar
d
Pall
m
i
n
or fixes in documentati
o
n + some debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added os-specific defines
f
rom cmake required by memte
s
tG80
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
M
S
VC
f
i
x
for gmx_paralle
l
_3df
f
t
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
on
l
y issue openmm con
s
tri
n
ts
w
arning i
f
constrainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pa
l
l
M
e
rg
e
bra
n
ch '
m
aster'
of g
i
t@git
.
gromac
s
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
l
a
rd Pall
temporary
fix for compilation e
r
ror with GMX_OPENM
M
=ON
commit
|
commitdiff
|
tree
2010-05-07
Szila
r
d
P
a
l
l
M
e
r
ge
b
ranch
'
ma
s
t
e
r' of git@git
.
g
r
o
ma
c
s
.
o
rg
:
gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
M
erge b
r
anch '
m
aster' of
git@gi
t
.
gromacs
.
org:g
r
o
m
acs
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
lard
Pall
added gro
m
acs file header
s
to the OpenMM-relate
d
fil
e
s
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
minor f
i
xe
s
, docum
e
nta
t
i
on and slight A
P
I change in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
minor
upd
a
tes t
o
F
in
d
Git
a
nd F
i
ndOpenM
M
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pa
l
l
upd
a
ted FindCUDA to version from cma
k
e 2
.
8
.
1 fo
r
CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szil
a
r
d
Pall
Merge branch 'master' of git@git
.
gromacs
.
o
r
g:gromac
s
commit
|
commitdiff
|
tree
2010-04-20
S
zi
l
ard Pall
doxygen comment
s
for
the OpenMM
pa
r
t
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
adde
d
documentation for the openmm_wr
a
pper
commit
|
commitdiff
|
tree
2010-04-16
S
zila
r
d P
a
l
l
formatting
f
i
x
of openmm wrapper -
gromacsifi
e
d the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pa
l
l
c
leaned up
a
bunch op m
e
s
s
i
n
d
o_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
z
ilard
Pall
bugfix for do_md_openmm - w
a
s alway
s
pul
l
ing dat
a
from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
fi
x
ed timing
bug in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
add
e
d some m
o
re supported GPUs
(
hi
g
h
-
end mobile an
d
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
S
zil
a
r
d
Pall
M
e
r
ge branch 'master'
o
f g
i
t@g
i
t
.
g
r
omacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
n
ow g_bar
l
ook
s
for lambda only in the last directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szi
l
ard Pall
F
i
x
e
d
g_bar b
u
g in lambda value parsing from
p
at
h
.
commit
|
commitdiff
|
tree
2010-03-29
Szilar
d
Pall
fixed g
m
xGenerateVersionI
n
f
o
.
cmake to produce 8
digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
T
h
e
cmake devel
o
pment informa
t
ion gene
r
a
t
ing work
s
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pa
l
l
added
FindG
i
t
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
S
zilar
d
Pall
fix for
g
mxGe
n
erateV
e
rsion
I
n
fo
.
cm
a
k
e, n
o
w w
o
rks with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
f
i
xe
d
USE_VERSION_H
C
make
o
ption
commit
|
commitdiff
|
tree
2010-03-18
S
z
ilard Pall
Merge b
r
anch 'master' o
f
git@git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-03-18
Szil
a
rd Pall
f
i
xed the pro
b
l
em o
f
version
.
c
n
ot bein
g
built at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pa
l
l
added missin
g
VERSIO
N
prefix to
_
g
mx_ver_strin
g
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
f
ix f
o
r g
e
n
ver
s
ion
.
sh to re
c
o
g
niz
e
the git://
.
.
.
/
g
romacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szil
a
rd Pall
Me
r
ge branch '
m
aster' of git@
g
i
t
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Cmake im
p
l
emen
t
at
i
on
t
o
g
enerate development build
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Op
e
nMM buil
d
not
de
p
endent
on fftw
a
nym
o
re
commit
|
commitdiff
|
tree
2010-03-11
S
z
ilard Pal
l
fixed mdrun
v
er
b
osity w
i
th OpenMM bu
i
ld
commit
|
commitdiff
|
tree
2010-03-11
Szi
l
ard P
a
ll
fixed a missing comma and a typ
o
in
o
penmm_
w
r
a
p
p
e
r
commit
|
commitdiff
|
tree
2010-03-11
Szi
l
a
rd
P
all
Delete src/ke
r
ne
l
/
d
o
_md_openmm_nopa
t
c
h
.
h, it's
not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Minor cleanup, some
r
ea
r
rangame
n
ts, and commenting
.
commit
|
commitdiff
|
tree
2010-03-11
S
z
ilard Pall
Re
v
e
rted stupi
d
change in CMaleList
s
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Renam
e
d md_
o
p
enm
m
int
o
openmm_wrapp
e
r, and
do_md_openmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szila
r
d Pall
Fixe
d
deadlo
c
k o
c
curing in gmx_fatal
.
c
:
intro
d
uced
.
.
.
commit
|
commitdiff
|
tree