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fixed syntax error from commit bd5b2724
2010-10-06
Szil
a
r
d Pall
fixed syntax error
f
r
om commit bd5b2724
commit
|
commitdiff
|
tree
2010-10-05
Szilard Pa
l
l
i
mp
r
oved opti
o
n co
m
patibility chec
k
i
n
g
with OpenMM
commit
|
commitdiff
|
tree
2010-10-01
Szil
a
rd Pall
make instal
l
-mdrun
n
ow install
e
s share
d
l
ibs (fix for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szil
a
rd Pall
FindFFT?[F
]
scrip
t
s can use a path pr
o
vi
d
ed in FFTW
x
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
Fixed binar
y
/lib suff
i
xin
g
inconsiste
n
cie
s
(bug 539)
commit
|
commitdiff
|
tree
2010-09-07
Szilard Pall
fi
x
ed warnings caused by
s
o
me uninitialized variables
commit
|
commitdiff
|
tree
2010-09-06
Szil
a
rd Pa
l
l
Mark advanced
variables/options that are
n
ot relevant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szilard
P
all
M
ark advanced
G
M
X_BIN
A
RY_SUFFIX and
GMX_L
I
BS_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szila
r
d
P
all
Up
d
ated list
o
f
su
p
ported
G
PUs
commit
|
commitdiff
|
tree
2010-08-31
Szilard P
a
ll
Merge branch 'release-4-5-patc
h
es' o
f
git://gi
t
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
Impr
o
ved option
d
isablin
g
on sw
i
tching to
OpenM
M
bui
l
d
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Sz
i
lard Pa
l
l
fixe
d
/imp
r
oved c
m
ake
FFTW3 detection
commit
|
commitdiff
|
tree
2010-08-03
Szi
l
ard
Pall
min
o
r addition t
o
pre
v
ius
g
c
c
4
.
1
.
x d
i
sabl
i
ng c
o
mm
i
t
commit
|
commitdiff
|
tree
2010-08-03
S
z
il
a
rd P
a
ll
Removed
gcc 4
.
1
.
x chec
k
as bug 431 turned out
t
o
b
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pa
l
l
addition
a
l
f
i
x to commit c5d62a
f
07d01b8,
now
li
b
md
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
S
z
ilard Pall
Merge branch 'master' of git@g
i
t
.
grom
a
c
s
.
o
rg:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-24
Szilard
Pall
c
m
ake support for user-defined
bina
r
y prefixes, c
u
st
o
m
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
S
zilard
P
all
Merge branch 'master' of
g
it@g
i
t
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-06-20
Szilar
d
Pall
Fixed GCC versio
n
c
hecking
in cma
k
e
commit
|
commitdiff
|
tree
2010-06-17
S
z
ilard
P
all
Merge b
r
a
nch 'master' of
g
it@git
.
g
r
omacs
.
or
g
:groma
c
s
commit
|
commitdiff
|
tree
2010-06-17
Szilard
P
all
fixed minor bu
g
in openmm_wrapper
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pall
Imple
m
e
nted (buggy) gcc 4
.
1
.
x check in cmake
.
commit
|
commitdiff
|
tree
2010-06-10
Szil
a
rd Pall
fixed warnings in gmx_
g
pu_
u
tils and open
m
m_wrapper
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pal
l
Merge br
a
n
c
h 'maste
r
' of
g
it@git
.
g
romacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fixed
logging
outpu
t
in do
_
m
d_openmm
commit
|
commitdiff
|
tree
2010-06-03
S
z
ilard
Pall
M
e
rg
e
branch
'
master' of gi
t
@git
.
gromacs
.
org:gr
o
m
acs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
Me
r
ge
branch 'master' of git@git
.
gro
m
acs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-01
Szila
r
d Pall
fixed
O
p
enMM i
n
teractio
n
type
c
h
eck
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
minor fix
e
s in ditr
i
bution files
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Merge bra
n
ch
'
ma
s
t
e
r
' of git@git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-31
S
zilard Pall
Updated RE
A
DME
and INSTALL files, add
e
d RE
A
DME-
G
PU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard
Pa
l
l
Fixed t
y
po in C
M
akeLists fo
r
mdr
u
n-gpu
commit
|
commitdiff
|
tree
2010-05-30
S
z
ila
r
d Pall
OpenMM: ad
d
ed combinati
o
n rule check, disabled restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard
P
a
l
l
Fix
f
or MSV
C
li
n
ki
n
g an
d
releas
e
-buil
d
OpenMM pl
u
gin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szila
r
d Pall
F
i
xe
d
so
m
e co
m
p
iler
warinigs, minor
b
ugs a
n
d documentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szi
l
a
r
d Pall
M
e
rge
branch 'master' of
git@
g
it
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szilar
d
Pall
fixed the PME to
l
erance "adjustmen
t
" fo
r
OpenMM
commit
|
commitdiff
|
tree
2010-05-12
S
zilard
Pall
Merge branch
'
m
a
ster
'
of g
i
t@
g
it
.
g
romacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pal
l
F
i
x in ope
n
mm_wrapper
w
hich makes it w
o
r
k w
i
th MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard P
a
ll
f
ixed sign
a
l
handling in
m
d_openm
m
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
Merge branch '
m
aster' of git@git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d Pal
l
minor
fixe
s
in do
c
ument
a
t
i
on + some debugging cod
e
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard
P
all
ad
d
ed os-specific de
f
ines fr
o
m
c
m
ake required b
y
m
e
m
testG8
0
commit
|
commitdiff
|
tree
2010-05-10
S
z
il
a
rd Pal
l
M
S
V
C
fix for gmx_paral
l
el_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
S
zilard Pall
only issue op
e
nmm con
s
trints
w
arning if cons
t
r
a
i
nst
a
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
lard Pall
Merge bra
n
ch 'master'
o
f git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szila
r
d
Pall
temporary fix for compila
t
ion
e
rror with GMX_OPENM
M
=ON
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
la
r
d
P
all
Merge branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd Pall
Merge
b
ranc
h
'master' of
g
it@
g
i
t
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd
P
all
added gromacs
file
h
eaders to
t
he OpenMM-related files
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pall
m
inor
f
ixes,
doc
u
m
e
ntation and
sl
i
ght API chan
g
e in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
all
mino
r
updates to FindGit and FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szilard
Pall
upd
a
ted Fi
n
dCUDA to versi
o
n from
c
make
2
.
8
.
1
for
CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilar
d
Pall
M
e
rge bran
c
h
'
m
aster' of git@git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pal
l
d
oxygen comments for the
OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pal
l
added documenta
t
ion fo
r
the open
m
m_wr
a
pper
commit
|
commitdiff
|
tree
2010-04-16
Szilar
d
Pall
formatting fix of openmm wrapper
- grom
a
csified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
cl
e
aned up a bu
n
ch op mess in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
zila
r
d
Pall
b
ugfix for do
_
md_openmm -
w
as alwa
y
s
p
ullin
g
dat
a
fro
m
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilar
d
Pal
l
fixed timi
n
g b
u
g in do_md_
o
penmm
commit
|
commitdiff
|
tree
2010-04-13
Szi
l
ard Pall
added some more
s
u
pported GP
U
s (high-end mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
Merge branch 'master'
o
f
git@git
.
groma
c
s
.
o
rg:gro
m
acs
commit
|
commitdiff
|
tree
2010-04-06
Szilar
d
Pall
now g_bar l
o
o
k
s fo
r
lamb
d
a
only in the last di
r
ectory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
S
z
ilar
d
Pall
Fixed g_ba
r
bug in lamb
d
a
value parsing from path
.
commit
|
commitdiff
|
tree
2010-03-29
Szi
l
ard Pall
fix
e
d g
m
xGenerateVersio
n
Inf
o
.
cm
a
ke
to produce 8
d
i
g
it
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard P
a
ll
The cma
k
e dev
e
lopment informati
o
n generat
i
n
g
works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
z
ilard Pa
l
l
added Fin
d
Git
.
cm
a
ke script
commit
|
commitdiff
|
tree
2010-03-28
S
z
ilard P
a
l
l
fix for gmxG
e
ner
a
teVersion
I
nfo
.
cmake, now wo
r
ks
with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
S
zilard Pall
fixed USE_
V
E
R
SION_H Cmake opti
o
n
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
Me
r
ge bra
n
ch
'
master'
o
f git@g
i
t
.
gromac
s
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-03-18
Szi
l
ard Pall
fixed
the p
r
oblem of versio
n
.
c not
b
eing built a
t
the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Sz
i
lard Pall
added
mis
s
ing VERSION pr
e
fix
to _gmx_ver_s
t
rin
g
commit
|
commitdiff
|
tree
2010-03-16
S
z
ilard P
a
ll
fix
fo
r
genversion
.
sh to
r
ecognize t
h
e g
i
t://
.
.
.
/g
r
omacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Merge branch 'master' of
g
it@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Cmake
i
mplementation to
generate
deve
l
o
p
ment build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard P
a
ll
Fixed deadlock occuri
n
g in g
m
x_fatal
.
c: introd
u
c
e
d
.
.
.
commit
|
commitdiff
|
tree