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fixed g_tune_pme to pass correctly boolean arguments to mdrun
2011-04-08
Szila
r
d
P
all
fixed g
_
tune_pme to pas
s
c
o
rr
e
ctly bool
e
an arguments
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
Szilard Pall
added cmake warning when the
cac
h
e gen
e
r
a
ted on another
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Sz
i
lard
Pall
fix
e
d b
u
g
gy detection of hostname and ti
m
e
of bu
i
ld
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Szilard Pall
Me
r
ge
b
ran
c
h
'
release-4-5-patches'
of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
Szilard Pall
Merge
branch 'release-4-5-patches' of git
.
groma
c
s
.
or
g
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szila
r
d Pall
now it's possibl
e
to run bina
r
ies in the build
t
re
e
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
Merg
e
bra
n
ch 'release
-
4-5-patc
h
es' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szi
l
ard Pall
en
a
bled GM
X
_PREF
E
R_STATIC_LIBS CMake option for C
Y
G
WI
N
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
fixed the defau
l
t for OpenM
M
plugin dir l
o
cation (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pal
l
f
i
xed m
a
ke
inst
a
l
l-mdrun is
s
ue (bug #
6
0
5
)
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
(re
)
added "
-
dev" suffix for
t
he CMake hardcoded
v
ersio
n
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szila
r
d Pa
l
l
a
dde
d
CMake
o
ption GMX_P
R
EFER_STATIC_LI
B
S (al
s
o fix
e
s
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Szilard Pal
l
fixed syntax erro
r
from commit bd5b2724
commit
|
commitdiff
|
tree
2010-10-05
Szilard Pall
im
p
r
ove
d
option
c
ompatib
i
lity checki
n
g with OpenMM
commit
|
commitdiff
|
tree
2010-10-01
Szilard Pa
l
l
m
ake
inst
a
ll-mdr
u
n now instal
l
e
s
shared libs (
f
ix f
o
r
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szilard Pall
Fin
d
FFT?[F] sc
r
ipts can use a path provided in FFTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
Fixed
binary
/
lib suffixing
inconsistencies (bug 539)
commit
|
commitdiff
|
tree
2010-09-07
Szilard Pall
fixed
w
arni
n
gs c
a
use
d
by some uninitialized variables
commit
|
commitdiff
|
tree
2010-09-06
Szilar
d
Pall
M
a
rk
advanced variables/optio
n
s that are n
o
t
r
e
levant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szi
l
a
r
d Pall
Mark advanced GMX_
B
I
N
ARY_SUFFIX and G
M
X_LIBS_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szila
r
d
Pall
Updated list of
supported GPUs
commit
|
commitdiff
|
tree
2010-08-31
Szilard
Pa
l
l
Merge branch 'r
e
lease-4-
5
-p
a
tches' of git://git
.
g
roma
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
Improved o
p
t
i
on disablin
g
o
n switch
i
ng to OpenMM
b
uild
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Sz
i
lard Pall
f
i
x
ed/impro
v
ed cmake FFTW3
detection
commit
|
commitdiff
|
tree
2010-08-03
Szilard
P
a
ll
minor addition t
o
previus
g
c
c
4
.
1
.
x
disabling commit
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pa
l
l
Removed gcc 4
.
1
.
x ch
e
c
k as bug 431 turned
o
ut t
o
be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szila
r
d
Pal
l
additional
f
ix t
o
commit c5d62af07d01b8
,
n
ow libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pall
Merge
branch 'mas
t
e
r' of git@git
.
gro
m
acs
.
o
r
g:gr
o
mac
s
commit
|
commitdiff
|
tree
2010-06-24
Sz
i
lard Pall
c
m
ake suppo
r
t
fo
r
user-defined binary pre
f
ixes, c
u
stom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szi
l
a
rd Pall
Merge br
a
nch 'ma
s
ter' o
f
git@git
.
gromacs
.
org:g
r
oma
c
s
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pall
Fixed
GCC
v
ersion
c
hecking
i
n cmake
commit
|
commitdiff
|
tree
2010-06-17
S
zi
l
ard Pall
Merge bra
n
ch 'master' of
git@git
.
grom
a
cs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-06-17
S
zi
l
ard Pall
fixed
minor bug in openmm_wrapper
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pall
I
m
p
l
eme
n
ted (buggy) gcc
4
.
1
.
x
check in c
m
ake
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fixed
w
a
rnin
g
s in gmx_g
p
u_utils and openm
m
_wrapper
commit
|
commitdiff
|
tree
2010-06-10
Szilard P
a
ll
Merge branch
'
master' of g
i
t@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
Sz
i
lard
Pall
f
i
xed logging output in do_md_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szila
r
d
P
all
Me
r
g
e
b
ranch 'master' of
g
it@
g
it
.
grom
a
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-01
Sz
i
lard Pall
M
er
g
e branch 'master' of git@git
.
gro
m
a
c
s
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-06-01
S
z
i
l
ard Pall
fixed Ope
n
MM interaction
t
yp
e
check
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
minor f
i
xes i
n
ditribution files
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Merg
e
bran
c
h 'm
a
ster' of
g
it@git
.
gromacs
.
org
:
groma
c
s
commit
|
commitdiff
|
tree
2010-05-31
Szila
r
d Pall
Up
d
ate
d
RE
A
DM
E
an
d
INSTA
L
L
files, added REA
D
ME-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
S
zilard Pa
l
l
Fixe
d
typo i
n
CMakeList
s
for mdrun-gpu
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
OpenMM:
a
dded com
b
ination
r
ul
e
ch
e
ck, dis
a
bled restr
a
i
n
t
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
S
zilar
d
Pall
Fix for MSV
C
li
n
king and r
e
l
e
ase-
b
uild OpenM
M
plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szi
l
ard Pall
F
i
xed
s
ome compiler warinig
s
, minor bugs
an
d
documenta
t
ion
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pal
l
M
e
rge branch '
m
aster' of
g
it@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szila
r
d Pa
l
l
fixe
d
the
P
ME tolerance "adjustment"
f
or OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard Pall
M
e
rge bra
n
ch
'master
'
of git@
g
it
.
g
r
om
a
c
s
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
P
all
F
i
x
i
n ope
n
m
m_
w
r
apper w
h
ich makes
it work with MS
V
C
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard
Pall
fixe
d
si
g
nal handling in md_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
M
e
r
g
e branch 'master' of git@g
i
t
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
minor fixe
s
i
n docume
n
tation + som
e
debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
S
z
i
l
ard Pa
l
l
added os
-
specif
i
c defines fr
o
m cmake required by memtestG
8
0
commit
|
commitdiff
|
tree
2010-05-10
Szil
a
rd Pall
MSVC fix for gmx_par
a
llel_3
d
fft
.
c
commit
|
commitdiff
|
tree
2010-05-10
S
z
i
lar
d
Pall
only issue openmm
c
o
n
s
t
r
ints
w
arning
if
cons
t
rainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge branch 'm
a
ster' o
f
git@git
.
gromac
s
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
temporary fix
f
or
compi
l
at
i
on err
o
r with GMX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard Pall
Me
r
g
e
branc
h
'master' of g
i
t@gi
t
.
grom
a
cs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
a
rd Pall
Merge branch 'ma
s
ter' of git@git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
l
a
rd
Pall
a
dded gromacs
fi
l
e
headers
to th
e
OpenM
M
-related fi
l
e
s
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
minor
f
ix
e
s, d
o
cumentation and s
l
i
g
h
t API cha
n
ge in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd Pall
minor updates to Fin
d
Git a
n
d
F
i
ndO
p
enMM
commit
|
commitdiff
|
tree
2010-05-07
Szilard
Pall
upd
a
ted FindCUDA
t
o version fr
o
m
c
make 2
.
8
.
1 for CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
Mer
g
e branch
'master' of git
@
git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pa
l
l
d
o
x
yge
n
comm
e
n
t
s for
t
he OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
S
z
ila
r
d
P
all
added docu
m
entation for the openmm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
S
zilard Pall
formatting fix
of openmm wrapper - gromacs
i
fied
the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard
P
a
l
l
cle
a
ned up a bunch
o
p mess in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
bug
f
ix for do_m
d
_openm
m
-
w
as al
w
ays pulling data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
fixed
timing bu
g
in
d
o_md_o
p
enmm
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
lard P
a
ll
added some m
o
re support
e
d GPUs (high-end mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
Merge br
a
nch 'master
'
o
f
git@git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-06
Szilard
P
all
now
g_bar l
o
oks for la
m
b
da
o
nly in the last directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
S
zil
a
rd P
a
ll
Fixed g_bar bug i
n
lambda
value parsing from
p
ath
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pall
f
ixed gmxGenerateVer
s
i
onIn
f
o
.
cmake to produce 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard
P
all
The cmake
development information generating works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard
P
all
added
Fin
d
Git
.
cma
k
e script
commit
|
commitdiff
|
tree
2010-03-28
Szilard P
a
ll
fix
for gm
x
GenerateV
e
rsionInfo
.
cma
k
e, n
o
w works w
i
th
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
fixed
USE_VERSION_H
Cmake
o
ption
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pa
l
l
Merge bran
c
h '
m
aster' of git@git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
f
ixe
d
the prob
l
em of
v
ersion
.
c not bein
g
b
uilt at
t
he
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Sz
i
lar
d
Pall
ad
d
ed
m
issing VERSION p
r
efix to _gm
x
_ver
_
string
commit
|
commitdiff
|
tree
2010-03-16
Szilard P
a
ll
fix f
o
r genversion
.
sh to recognize
the
g
it://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pal
l
Merge branch '
m
as
t
e
r
' of git@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Cmake implementation to generat
e
d
e
v
elopment build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
S
zi
l
ar
d
P
all
Fixed deadlock
occuring
in gmx_fata
l
.
c
: introdu
c
ed
.
.
.
commit
|
commitdiff
|
tree