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fixed warnings in gmx_gpu_utils and openmm_wrapper
2010-06-10
Szilard Pal
l
fixed warnings in gmx
_
gpu_utils and openmm_wrappe
r
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
Merge br
a
nch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fixed
l
ogging outpu
t
in
d
o
_md_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szilard Pa
l
l
M
e
rg
e
bran
c
h 'mas
t
e
r
' o
f
git@git
.
gro
m
acs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
Me
r
ge branch 'ma
s
ter' of
gi
t
@git
.
grom
a
cs
.
org:g
r
o
m
acs
commit
|
commitdiff
|
tree
2010-06-01
Szil
a
rd P
a
ll
fi
x
ed OpenMM int
e
raction
t
ype check
commit
|
commitdiff
|
tree
2010-05-31
S
zilard Pall
m
inor fixes in ditributi
o
n fi
l
es
commit
|
commitdiff
|
tree
2010-05-31
Szi
l
a
r
d Pall
Merge branch 'mast
e
r
'
o
f
git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-31
S
zilard Pa
l
l
Updated README an
d
IN
S
T
ALL files, adde
d
README
-
G
P
U
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Fix
e
d
typo in CMakeLists for mdrun-gpu
commit
|
commitdiff
|
tree
2010-05-30
Szila
r
d
Pall
OpenM
M
:
add
e
d
comb
i
nation rul
e
check, dis
a
bled r
e
st
r
aint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
S
z
ilard Pall
Fix for MSVC linki
n
g and releas
e
-bu
i
ld O
p
enMM
p
lug
i
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
S
z
ila
r
d
P
a
ll
Fixe
d
s
o
me
comp
i
ler warinig
s
,
m
i
nor bugs
a
nd docume
n
tation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
S
zilard Pall
Merge branch 'master' of git@
g
it
.
gr
o
macs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szilard
P
a
l
l
fixed the
P
M
E
tolerance "a
d
j
u
s
t
ment" for
O
penMM
commit
|
commitdiff
|
tree
2010-05-12
S
zila
r
d Pall
Mer
g
e branch '
m
aster' o
f
git@git
.
gromacs
.
org:g
r
o
m
acs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Fix in openmm_wrapper whi
c
h
make
s
it wor
k
with MS
V
C
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pal
l
fi
x
ed signal
h
andling in md_
o
pe
n
mm
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Merg
e
br
a
nch 'master'
o
f
git@git
.
gromacs
.
o
r
g
:
g
rom
a
cs
commit
|
commitdiff
|
tree
2010-05-12
S
z
i
l
ard Pall
minor
f
ixes in documen
t
ation + s
o
me debug
g
ing code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
a
d
ded
o
s-specific
d
efines from cmake
required
b
y
me
m
testG80
commit
|
commitdiff
|
tree
2010-05-10
Szi
l
ar
d
Pal
l
MSVC fix for gmx_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
only issue openmm constrints warni
n
g
if constrainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merg
e
branch 'master'
o
f git@git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
tempora
r
y fix for c
o
mpilation error with GMX_O
P
E
NM
M
=ON
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
Merge branch 'm
a
s
t
er' of g
i
t@git
.
groma
c
s
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-05-07
Szilard
Pall
M
erge branch
'
maste
r
' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard P
a
ll
added g
r
omacs fil
e
headers to th
e
OpenMM-related f
i
l
e
s
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pall
minor
f
ixes, documentation and slig
h
t API
change in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard
Pall
minor upd
a
tes to Fin
d
G
it and FindOp
e
nMM
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
a
rd P
a
l
l
up
d
ated FindCUDA to vers
i
o
n
fr
o
m cmake
2
.
8
.
1 for CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
Merge br
a
nch 'ma
s
t
er' of git@git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
dox
y
gen com
m
ents for the Op
e
nMM
part
commit
|
commitdiff
|
tree
2010-04-16
S
zilar
d
Pall
a
d
d
e
d documentation fo
r
the openmm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pa
l
l
fo
r
m
a
tting fi
x
of openmm wrapper - gromacsified
t
he
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
S
zilard Pall
c
l
eaned up
a bu
n
ch op
mess i
n
do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard
Pall
bugfix for do_md_openmm - was alway
s
pull
i
ng data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szil
a
rd Pall
fixed timing bug in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard P
a
ll
added some
m
o
r
e supported GPUs (h
i
gh-end mobil
e
a
n
d
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szi
l
ard Pall
Me
r
ge branch 'master' of git@git
.
g
rom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-06
S
z
i
l
a
r
d Pall
now g_
b
ar l
o
oks
f
o
r lambda only in the l
a
s
t directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard Pall
Fixed g_bar bug in
lambda value pa
r
s
i
ng from path
.
commit
|
commitdiff
|
tree
2010-03-29
Szilar
d
Pall
fix
e
d
gmxGene
r
ateVersionInfo
.
cmake to
p
roduc
e
8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard
P
all
The
cmake develop
m
e
nt informat
i
on
gener
a
ting works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Sz
i
lar
d
Pall
added FindG
i
t
.
c
m
ake script
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
fi
x
for gm
x
G
e
n
erat
e
VersionInfo
.
cm
a
ke, now works with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
fixed USE_VERS
I
ON_H Cmake op
t
ion
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
Merge branch 'master' of git@git
.
gromacs
.
org:g
r
o
m
a
cs
commit
|
commitdiff
|
tree
2010-03-18
Szilar
d
P
all
fixed the pr
o
blem o
f
version
.
c not being built at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
S
zi
l
ard
P
all
adde
d
missing
V
ERSION p
r
efix to _gmx_ver_string
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pa
l
l
fix for
g
enversion
.
s
h
t
o
recogni
z
e the git://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szil
a
rd P
a
ll
Merge
branch 'mas
t
e
r
'
o
f git@git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-16
Szil
a
rd P
a
ll
Cmake implementation to gene
r
ate development
b
u
i
ld
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard
P
al
l
OpenMM build
n
o
t depe
n
dent on fftw any
m
ore
commit
|
commitdiff
|
tree
2010-03-11
Szil
a
rd
P
all
fixed mdrun verb
o
sit
y
with OpenMM build
commit
|
commitdiff
|
tree
2010-03-11
Szil
a
rd Pall
fixed a missing comma and a typo in openmm_wrapper
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pa
l
l
Delete s
r
c
/kern
e
l/do_md_openmm_no
p
a
t
ch
.
h, i
t
's not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard
P
all
M
inor
cl
e
anup, so
m
e rearrangaments, an
d
comm
e
nting
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard
P
all
Rever
t
ed
s
t
u
pi
d
change in CMa
l
eLis
t
s
.
t
x
t
commit
|
commitdiff
|
tree
2010-03-11
S
zilard Pal
l
Renam
e
d
md_o
p
en
m
m into
open
m
m_wrapper, and d
o
_md_
o
penmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
Fixed
d
ea
d
l
o
ck occuring in gmx_fatal
.
c: intr
o
duced
.
.
.
commit
|
commitdiff
|
tree