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fixed make install-mdrun issue (bug #605)
2010-10-29
Szilard P
a
ll
fixed ma
k
e
i
nstall-mdrun issue (bug #605)
commit
|
commitdiff
|
tree
2010-10-29
S
z
il
a
rd Pall
(r
e
)added "-dev" suffix for the
C
Make hardcoded version
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard
Pall
ad
d
ed CMa
k
e option
GMX_PREFER
_
STATIC_LI
B
S (also fixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Sz
i
lard Pall
f
i
x
ed synta
x
e
r
ror
f
rom commit b
d
5b272
4
commit
|
commitdiff
|
tree
2010-10-05
Szil
a
r
d
Pall
im
p
r
o
v
e
d op
t
ion comp
a
tibility checki
n
g
wit
h
OpenM
M
commit
|
commitdiff
|
tree
2010-10-01
Szilard Pall
make install-mdrun now install
e
s shared libs (fi
x
for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szilard Pall
F
indFFT?[F]
s
c
r
ipts can use a
p
ath p
r
ovided in
FFTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pal
l
F
ixed binar
y
/lib suffi
x
ing
inconsistencies
(bug 539)
commit
|
commitdiff
|
tree
2010-09-07
Szila
r
d Pall
fixed w
a
rnings caused by s
o
me
uninitialized v
a
riables
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pal
l
M
a
rk advanced variab
l
es/options that
are not relevant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pa
l
l
Mark adv
a
nced GMX_BINARY_SUFFIX and GMX_LIBS_SU
F
FIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szilard
Pal
l
Upd
a
ted list o
f
supported GPUs
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
Merge br
a
n
ch 'relea
s
e-4-5-patches' of g
i
t
:/
/
git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
z
ilard
P
al
l
I
m
proved option d
i
sablin
g
on switching to Ope
n
MM build
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
zil
a
rd Pall
f
i
xed/improved cmake FFTW3
d
etectio
n
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
minor additio
n
to
previus
g
cc 4
.
1
.
x disab
l
ing comm
i
t
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
Remo
v
ed gc
c
4
.
1
.
x c
h
ec
k
as
b
u
g 43
1
turned ou
t
to be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard
Pall
additional fix
t
o commit c5d62af07d01b8, now libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pa
l
l
Merge branch 'master' of
git@git
.
groma
c
s
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-06-24
Sz
i
lard Pall
cmake suppo
r
t for user-defined
b
inary prefixes
,
c
ustom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szil
a
rd Pall
Merge branch 'master' of git@git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-06-20
S
zil
a
rd
P
all
Fixed GCC version c
h
ecking in c
m
ake
commit
|
commitdiff
|
tree
2010-06-17
Szil
a
rd Pa
l
l
Merge bra
n
ch 'mas
t
er' of git@git
.
gromacs
.
o
r
g:gro
m
acs
commit
|
commitdiff
|
tree
2010-06-17
Szilard P
a
ll
f
ixed
minor bug in ope
n
mm_wr
a
pper
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pal
l
Impleme
n
ted
(
buggy) gcc 4
.
1
.
x check
i
n cmake
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fixed warnings in gmx_
g
p
u_util
s
and open
m
m_wrapper
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pal
l
Merge br
a
nch 'master
'
of
g
it@git
.
gr
o
mac
s
.
org:g
r
omac
s
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pa
l
l
fixed logging output in
do_md_
o
penmm
commit
|
commitdiff
|
tree
2010-06-03
Szilard Pall
Merge branch 'master' of git
@
git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pa
l
l
Merge
b
ran
c
h 'mast
e
r' of g
i
t@git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
fixed OpenMM interaction type check
commit
|
commitdiff
|
tree
2010-05-31
Sz
i
lard Pa
l
l
minor fixes i
n
ditrib
u
ti
o
n
f
il
e
s
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Merge branc
h
'master'
o
f git@git
.
gromacs
.
org
:
g
ro
m
ac
s
commit
|
commitdiff
|
tree
2010-05-31
Szilar
d
P
a
ll
U
pdate
d
README an
d
INSTALL files,
added README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szila
r
d Pall
Fixe
d
typo in CMakeL
i
s
ts for mdrun-gpu
commit
|
commitdiff
|
tree
2010-05-30
Sz
i
lar
d
Pall
OpenMM: added combi
n
at
i
on rule check, disable
d
restrain
t
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Fix for MSVC linking and
release-b
u
ild OpenMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard Pall
Fixed some
c
ompiler wa
r
inigs
,
minor
b
ugs
a
nd docu
m
ent
a
t
ion
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Sz
i
lard Pall
Mer
g
e
branch 'm
a
ster' of git
@
git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pal
l
fixed the PME tolerance
"
a
djus
t
ment" for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard Pall
Merge branch 'mast
e
r'
o
f git@
g
it
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-05-12
Szilard
P
a
l
l
Fix
in openmm_wrapper wh
i
ch makes
it
work
w
ith
M
SVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
f
i
xed signal handling i
n
m
d_o
p
enmm
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d
Pal
l
M
e
r
ge bra
n
c
h '
m
aster'
of git@git
.
gromacs
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szilard
Pall
minor fi
x
e
s
i
n do
c
umentation + some debuggi
n
g code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
S
z
i
lard
P
al
l
adde
d
o
s-spe
c
i
f
ic
defines from cmake requ
i
red by
memtestG
8
0
commit
|
commitdiff
|
tree
2010-05-10
Szilard
P
a
l
l
M
S
V
C
f
ix for gmx_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilar
d
Pa
l
l
only issue openmm
c
onstrints warning if
co
n
strainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilar
d
Pall
Merge branch 'master' of git@gi
t
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
a
l
l
temporary
fix for comp
i
la
t
ion
e
rror w
i
th GMX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
Merge branch 'master' of git@git
.
gromacs
.
org:gr
o
m
acs
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
all
Me
r
ge branch '
m
aster
'
o
f git@git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
added
grom
a
cs file head
e
rs to t
h
e
OpenM
M
-
r
elated files
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
l
ard
P
all
m
inor fi
x
e
s, documentation
and slig
h
t
API change in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
minor updates
t
o Find
G
it and
F
i
ndOpe
n
MM
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
updated FindCUDA to ver
s
ion fro
m
c
m
ake 2
.
8
.
1 for CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
S
zilard Pall
Merge
b
ranch 'master' of git@
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard P
a
ll
doxy
g
en comments f
o
r the O
p
e
n
M
M part
commit
|
commitdiff
|
tree
2010-04-16
Szi
l
ard
P
all
added documentation for
t
he openmm_
w
ra
p
per
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
forma
t
ting fi
x
o
f
open
m
m
w
rappe
r
- gromacsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
cleane
d
up a bunch op
m
es
s
in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
z
i
l
a
r
d
Pall
bug
f
ix f
o
r
do_md
_
openmm - was always pullin
g
data fro
m
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
fixed timing
bug in
do_
m
d
_ope
n
m
m
commit
|
commitdiff
|
tree
2010-04-13
Szilard
Pal
l
added some more support
e
d GPU
s
(
h
i
g
h-end mob
i
le
and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard
P
all
M
e
rg
e
branch 'm
a
ster'
of git@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-06
Szilar
d
Pall
now g_b
a
r
looks fo
r
lambda only in
the last directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard
Pall
Fixed g_
b
a
r
bug in lambda valu
e
par
s
ing from
p
ath
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pall
fix
e
d gmxGen
e
rateVersionI
n
fo
.
cmake
t
o produce 8 d
i
git
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
z
i
l
a
r
d Pall
T
he
c
m
ake development
i
nformation generatin
g
work
s
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard
P
all
added
F
indGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
f
i
x
f
o
r gmxGenerateVersionInfo
.
c
m
ake, now work
s
with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
S
zilard Pall
f
ixe
d
U
S
E_VERSION_H Cma
k
e opti
o
n
commit
|
commitdiff
|
tree
2010-03-18
Szi
l
ard
P
al
l
Merge branch 'mas
t
er' of git@git
.
gr
o
mac
s
.
o
rg:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
fixed the problem of version
.
c not
being built at
t
he
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
a
d
ded missing VER
S
ION prefix to
_
g
m
x_ver_s
t
ring
commit
|
commitdiff
|
tree
2010-03-16
Szi
l
ard Pall
fix for genversion
.
sh to recognize the git://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
M
e
r
g
e branch 'master' of git
@
g
it
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-03-16
Szilard
P
a
l
l
Cmake implementat
i
on
t
o gen
e
rate dev
e
l
o
pment build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
S
z
il
a
rd
Pall
F
ixed dea
d
lock occu
r
i
n
g
in gmx_fata
l
.
c: introduced
.
.
.
commit
|
commitdiff
|
tree