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Merge branch 'master' into rotation
2009-11-30
Carsten Kutzner
M
erge branch
'maste
r
' into rotation
commit
|
commitdiff
|
tree
2009-11-30
Carsten Kutz
n
e
r
Enforced rotation: ch
a
nged mdrun switch -r to -r
o
t
o
.
.
.
commit
|
commitdiff
|
tree
2009-11-30
Car
s
ten Kutzner
g
_tune_pme now does prop
e
r clean
u
p also
with
p
ull simulations
commit
|
commitdiff
|
tree
2009-11-24
Ca
r
sten Kutzner
Enforced rota
t
ion: fixed c
a
lc
u
lat
i
on of relevant slabs
commit
|
commitdiff
|
tree
2009-11-24
Car
s
te
n
Ku
t
zner
Mer
g
e branch 'master' into rotati
o
n
commit
|
commitdiff
|
tree
2009-11-20
Carsten Kutzne
r
Merge br
a
nc
h
'
m
aster' into rotation
commit
|
commitdiff
|
tree
2009-11-20
C
arsten Kutz
n
e
r
En
f
orce
d
r
o
tation: details
commit
|
commitdiff
|
tree
2009-10-23
Carsten Kutzner
Merge branch 'master' into rot
a
ti
o
n
commit
|
commitdiff
|
tree
2009-10-21
Car
s
ten Kutzner
g_tune_pme now al
s
o accepts < 3 nodes,
a
lso
outputs
.
.
.
commit
|
commitdiff
|
tree
2009-10-14
C
arst
e
n
Kut
z
ner
Mer
g
e branc
h
'mast
e
r' int
o
rotation
commit
|
commitdiff
|
tree
2009-10-14
Carsten Ku
t
zn
e
r
Enforced rotation: mov
e
d
a
l
l
helper varia
b
le
s
of inputrec
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
Carsten Kutzner
Merge b
r
a
nch 'master' of git@git
.
grom
a
cs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2009-10-12
Car
s
ten Kutz
n
er
cycl
e
count
e
rs can now
be reset by a (
h
idden
)
mdrun
.
.
.
commit
|
commitdiff
|
tree
2009-09-22
Cars
t
en Kutzner
E
nfor
c
ed rotation:
s
m
arte
r
w
a
y
to d
e
termin
e
r
e
leva
n
t
.
.
.
commit
|
commitdiff
|
tree
2009-09-21
Carsten Kutzn
e
r
Merge branch
'master'
i
nto
r
otation
commit
|
commitdiff
|
tree
2009-09-21
Carsten Ku
t
z
ne
r
Enforc
e
d rotat
i
on: Another minor optimi
z
ation in
do_fl
e
x
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Car
s
ten
K
u
t
zner
Enforced
r
otati
o
n
: Mi
n
or
p
erformance optimization in
.
.
.
commit
|
commitdiff
|
tree
2009-09-16
Carsten
Kutzne
r
Merge br
a
nch 'ma
s
ter' o
f
git@git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-09-16
Carsten Kutz
n
er
Fixed form
a
t conversio
n
s in gmx_t
u
n
e
_pme
.
c
commit
|
commitdiff
|
tree
2009-09-15
C
a
rsten Ku
t
zner
Mer
g
e br
a
n
c
h 'mast
e
r' into rotatio
n
commit
|
commitdiff
|
tree
2009-09-15
C
arsten Kutzner
Enforced rotat
i
on: new t
y
pe
'
f
ollowplan
e
',
p
lus
fixed
.
.
.
commit
|
commitdiff
|
tree
2009-09-07
Carste
n
Kutz
n
e
r
Edsam: Added t
h
e
possibility to flo
o
d to
w
ards a c
e
rtain
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten
K
utzn
e
r
E
n
fo
r
ced rotat
i
on: made fit
t
ype cont
r
ol
l
able b
y
m
d
p
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carste
n
Kut
z
n
e
r
Merge bra
n
ch 'master' into rotation
commit
|
commitdiff
|
tree
2009-09-03
C
a
r
sten Kutzner
E
n
forced rotation
:
rotati
o
n output file names can now
.
.
.
commit
|
commitdiff
|
tree
2009-09-02
Cars
t
e
n Kutzner
En
f
orced rotation: added ty
p
e 'fixe
d
pl
a
n
e
'
commit
|
commitdiff
|
tree
2009-08-28
Carsten Kutzner
En
f
orced rotation: simplified calculations i
n
do_f
l
ex_lo
w
level
commit
|
commitdiff
|
tree
2009-08-24
Ca
r
sten Kutz
n
er
Merge
d
i
n changes from master bra
n
c
h
commit
|
commitdiff
|
tree
2009-08-24
Carst
e
n
K
utzn
e
r
Renam
e
d
r
otation
.
{
c,h} to pull
_
r
o
ta
t
ion
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
C
l
earer output when multiple
g
roups are rot
a
ted
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzn
e
r
Fixed
calculation
o
f nslabs in reduce_output when mult
i
p
le
.
.
.
commit
|
commitdiff
|
tree
2009-08-20
Ca
r
s
ten K
u
tzner
Removed // st
y
le
c
ommen
t
s
commit
|
commitdiff
|
tree
2009-08-20
C
a
rs
t
en Kutzn
e
r
Initial commit o
f
e
nforced rotati
o
n a
d
d
-on
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutz
n
er
Star
t
ed new br
a
nch 'rotatio
n
' for enforc
e
d rota
t
i
on
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Carsten
K
utzner
Fi
x
ed
uninitialized variable in
g
mx_tune
_
pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
Carsten Kutzner
Me
r
ge b
r
a
n
ch 'master'
of gi
t
@git
.
gromacs
.
o
r
g:gromac
s
commit
|
commitdiff
|
tree
2009-07-29
C
a
r
st
e
n K
u
tzner
Merge bra
n
ch
'
master' o
f
git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-28
Carsten Kutzn
e
r
set
init_
s
t
ep on pme only nodes
when
counter rese
t
ting
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Carsten Kutzn
e
r
Count
e
r reset
t
ing also on th
e
PME o
n
l
y
nodes
commit
|
commitdiff
|
tree
2009-07-16
Carst
e
n K
u
t
z
ne
r
Check md
.
log to
ensure GMX
_
RESET_COUNTERS
was pa
s
se
d
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Carsten
K
utzner
Check whet
h
er mpirun accepts -
x
option
commit
|
commitdiff
|
tree
2009-07-15
Car
s
t
en Kutzner
Merge b
r
anch 'm
a
ster' of git@git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-07-15
Cars
t
en Kutzn
e
r
Severa
l
imp
r
ovement
s
t
o
gmx_tune_pme
commit
|
commitdiff
|
tree
2009-07-07
Cars
t
en Kutz
n
er
Merge branch
'
mast
e
r' of git
@
git
.
gromacs
.
o
r
g:gromac
s
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzner
R
emove
d
unused m_rv
e
c* functions in v
e
c
.
h (unnee
d
ed
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzner
Made the optional GMX_
B
ARRIERS wo
r
k with separat
e
PM
E
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Carsten Kut
z
ner
Out
p
ut
t
he correct n
u
mber
of
f
iles in
r
ead
_
tpr_pullxf_files
commit
|
commitdiff
|
tree
2009-06-23
C
ar
s
ten Kutzne
r
F
i
x
e
d check_oo memory
c
orr
u
ption problem
commit
|
commitdiff
|
tree
2009-06-22
Carsten Kutzner
Merge branch 'mast
e
r' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-06-19
Carsten Kutzne
r
Removed all
s
ta
t
ic vari
a
bles in edsam
.
c
commit
|
commitdiff
|
tree