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Mark advanced variables/options that are not relevant for the OpenMM build
2010-09-06
Szilar
d
Pall
Mar
k
advanced vari
a
bles/opt
i
o
n
s that a
r
e not rel
e
vant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szi
l
a
r
d Pall
Mark adv
a
n
c
ed GMX_BINAR
Y
_SUFFIX and GMX_
L
I
B
S_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szilard Pall
Updated list
o
f supported GPUs
commit
|
commitdiff
|
tree
2010-08-31
Szila
r
d Pall
Merge
branc
h
'r
e
l
e
a
s
e
-4-5-patc
h
es' of git://git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
z
ilard Pall
Improved option d
i
sabling on switching
t
o OpenMM build
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
zila
r
d P
a
ll
fixed/im
p
roved cma
k
e
FFTW3 de
t
ection
commit
|
commitdiff
|
tree
2010-08-03
Szila
r
d
Pal
l
minor
a
dditio
n
to prev
i
us gcc
4
.
1
.
x
disablin
g
commit
commit
|
commitdiff
|
tree
2010-08-03
Szilar
d
Pall
Removed gcc 4
.
1
.
x check as bug 431 turn
e
d
out to be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
S
zilar
d
Pall
additi
o
nal
f
i
x to co
m
mit c
5
d62af0
7
d01b
8
,
now libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szil
a
rd Pall
Merge branch 'mast
e
r
'
of gi
t
@
git
.
grom
a
cs
.
org
:
gro
m
a
c
s
commit
|
commitdiff
|
tree
2010-06-24
Szilard P
a
ll
cmake support for user
-
defin
e
d binary prefixes
,
custom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pall
Mer
g
e branch
'mast
e
r'
o
f
git@gi
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pal
l
Fix
e
d GCC version
checking in cmake
commit
|
commitdiff
|
tree
2010-06-17
S
zilard Pall
Merg
e
branch
'master
'
of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pa
l
l
fixed mino
r
bug in
ope
n
mm_w
r
apper
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szil
a
rd Pall
Implemen
t
ed (
b
uggy) gcc
4
.
1
.
x check in
cmake
.
commit
|
commitdiff
|
tree
2010-06-10
Szila
r
d Pall
fixed
w
arnings in gmx_gpu_ut
i
ls and o
p
en
m
m
_
wrapper
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
Merge
branch 'master' of g
i
t@git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-10
Szilard P
a
ll
fixed
l
ogging outp
u
t
in do
_
md
_
o
p
enmm
commit
|
commitdiff
|
tree
2010-06-03
Sz
i
lard Pall
Merge
branch
'
master' of git@git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pa
l
l
Me
r
g
e
branch 'master' of git@git
.
gromacs
.
org
:
groma
c
s
commit
|
commitdiff
|
tree
2010-06-01
S
z
ilard
Pall
fix
e
d O
p
enMM interaction ty
p
e check
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
m
inor fixe
s
in
d
itributi
o
n files
commit
|
commitdiff
|
tree
2010-05-31
Sz
i
l
a
rd
Pall
Merge bra
n
ch
'mas
t
er' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Upda
t
ed README an
d
INSTA
L
L files, ad
d
ed README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szila
r
d P
a
ll
Fixe
d
typo in CMakeLists for mdrun-gpu
commit
|
commitdiff
|
tree
2010-05-30
S
zilar
d
Pall
O
pen
M
M: added combinat
i
on
r
ule c
h
eck,
disab
l
ed re
s
traint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Fix for MSVC
linking and release-
b
uild OpenMM
p
lugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard Pall
Fixed some compiler warin
i
g
s
, minor bugs and document
a
tio
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
Merge
b
ranch
'
maste
r
' of git@git
.
g
romacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-19
S
zilard Pall
fixed the PME tolerance "adj
u
stment"
f
o
r OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
M
e
r
ge bra
n
ch 'mas
t
er' of git
@
git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
F
ix
i
n
o
penmm_wra
p
p
er whi
c
h m
a
k
e
s it wor
k
with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard P
a
ll
f
i
xed signal
handl
i
ng in md_
o
penmm
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d
P
all
Merge branch '
m
aster' o
f
git@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d Pall
min
o
r
fixes in docume
n
tation + some debu
g
g
i
ng code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pall
added
os-speci
f
ic defines
from
c
make requir
e
d by memtest
G
8
0
commit
|
commitdiff
|
tree
2010-05-10
Sz
i
la
r
d
P
a
ll
MS
V
C fix for
gmx_par
a
llel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szila
r
d Pall
only issue
o
p
enmm constrints warni
n
g
i
f
co
n
strainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
Merge br
a
nch 'master' of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szila
r
d
Pall
temp
o
r
a
ry fi
x
for co
m
pila
t
io
n
error
w
it
h
GMX_OP
E
NMM=O
N
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
a
r
d Pall
M
e
rge
b
r
anch
'
m
a
s
ter'
of git@git
.
g
romacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-07
Szilard P
a
ll
Merge
b
ranch 'master'
of
g
it@git
.
g
romacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
a
dded gromacs file
heade
r
s to the Ope
n
MM-related files
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pall
m
i
nor
fixes, document
a
t
i
on a
n
d
s
light API change
in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
minor
u
p
d
ates to FindGi
t
and FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
a
rd Pall
upda
t
ed
F
indCUD
A
to
v
ersion from cma
k
e 2
.
8
.
1
f
or CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
S
z
ilard
Pall
Merge branch
'mast
e
r' of git@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
doxygen co
m
me
n
t
s
for
t
he O
p
enMM part
commit
|
commitdiff
|
tree
2010-04-16
S
zilard Pall
added documentation for the openm
m
_wr
a
pp
e
r
commit
|
commitdiff
|
tree
2010-04-16
Szil
a
rd
Pall
formatting fix of op
e
nmm wrapper - gro
m
acsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
lard Pall
cle
a
ned up a bunch op m
e
ss in d
o
_
md_o
p
enmm
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
l
a
rd Pall
bugfix for do
_
md_openmm - was always pull
i
n
g data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
f
ixed
t
iming bug in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
zilard Pall
added
some mo
r
e supported
GPUs
(high-e
n
d mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
S
zilard Pall
Merge br
a
nch 'mast
e
r
'
of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-06
Sz
i
la
r
d Pa
l
l
now g_bar looks fo
r
la
m
bd
a
only in
t
he last
directo
r
y
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard Pa
l
l
Fix
e
d g_bar bug in lambda val
u
e pars
i
ng from path
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard
P
all
fixed gmx
G
e
nerateVersionInfo
.
cmake to
p
r
o
duce 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
The
cmake de
v
elopment information
g
eneratin
g
works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
z
ilard Pall
ad
d
ed FindGi
t
.
c
make script
commit
|
commitdiff
|
tree
2010-03-28
Szilar
d
Pall
fix fo
r
gmxGenerateVersionInfo
.
cmake, now works with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pal
l
fixed
U
SE_VER
S
ION_H Cmake
option
commit
|
commitdiff
|
tree
2010-03-18
Szila
r
d Pall
Merge branch 'master' of
git@git
.
g
r
om
a
cs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
fixed
the
p
r
oblem of version
.
c not being
built at
t
he
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szila
r
d
P
a
ll
added m
i
ssing
V
E
RSION prefix t
o
_gmx_ve
r
_
string
commit
|
commitdiff
|
tree
2010-03-16
S
zila
r
d P
a
ll
fi
x
f
o
r genversion
.
sh to reco
g
nize the g
i
t://
.
.
.
/
g
romacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
S
zilard Pall
M
e
r
g
e branch
'
master
'
of git@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard
Pall
Cmak
e
im
p
leme
n
tation to g
e
nerat
e
developme
n
t build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
Fixed deadlock occu
r
ing in gmx_
f
a
t
a
l
.
c
: introduced
.
.
.
commit
|
commitdiff
|
tree