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Enforced rotation: details
2009-11-20
Carsten K
u
t
zner
Enforced rotation:
detai
l
s
commit
|
commitdiff
|
tree
2009-10-23
Carsten Kutzner
Merge br
a
nc
h
'master' into ro
t
ation
commit
|
commitdiff
|
tree
2009-10-21
Ca
r
sten Kutzner
g
_
tune_
p
m
e no
w
also
a
ccep
t
s < 3 nod
e
s, also ou
t
puts
.
.
.
commit
|
commitdiff
|
tree
2009-10-14
Carsten Kutzner
Merge branch '
m
aster' in
t
o
rotation
commit
|
commitdiff
|
tree
2009-10-14
C
arste
n
Kutzner
Enforced rotation: moved all
hel
p
er vari
a
b
les of inp
u
tre
c
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
Carsten Kutzne
r
M
e
r
g
e
b
ranch 'mast
e
r' of
g
i
t@git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-10-12
Carsten Kutzner
cycle c
o
unters
can
n
ow be reset by a (hidden)
mdru
n
.
.
.
commit
|
commitdiff
|
tree
2009-09-22
Carsten
Kutz
n
e
r
E
n
f
orced rotation: smarter way t
o
determine
relevant
.
.
.
commit
|
commitdiff
|
tree
2009-09-21
Carst
e
n Kutzner
Mer
g
e
b
ranch 'master' i
n
to rotatio
n
commit
|
commitdiff
|
tree
2009-09-21
C
a
rsten Kutzner
Enf
o
r
ced rotati
o
n: An
o
ther minor
o
pt
i
m
ization
i
n do_flex
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Carste
n
Kutzner
Enforced rota
t
ion: Minor perf
o
rman
c
e optim
i
zation in
.
.
.
commit
|
commitdiff
|
tree
2009-09-16
Carste
n
K
u
t
zner
Merge branch 'master'
of git@gi
t
.
g
r
omacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-09-16
Carsten Kutz
n
er
Fixe
d
format conversio
n
s
in
gm
x
_
tu
n
e_pme
.
c
commit
|
commitdiff
|
tree
2009-09-15
Carste
n
Kutzner
Merge
branch 'master' into rotation
commit
|
commitdiff
|
tree
2009-09-15
Carsten Kutzner
Enforced rotation:
new t
y
p
e 'f
o
llowplane
'
,
p
lus f
i
xed
.
.
.
commit
|
commitdiff
|
tree
2009-09-07
Carsten Kutzner
Edsam:
A
dde
d
the poss
i
b
i
lity to f
l
ood towards a certain
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
C
arsten Ku
t
zner
E
nforced
r
otatio
n
: made
fi
t
type controllabl
e
by md
p
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten
K
utzne
r
M
erge branch 'mas
t
er' into rotation
commit
|
commitdiff
|
tree
2009-09-03
Carsten
K
utzn
e
r
Enforced rotat
i
on: rotation o
u
tput
f
ile na
m
es can now
.
.
.
commit
|
commitdiff
|
tree
2009-09-02
Ca
r
st
e
n Ku
t
zner
E
nfo
r
ced rotation
:
added typ
e
'
f
ixedplane'
commit
|
commitdiff
|
tree
2009-08-28
Carsten Kutzner
Enforced
r
otation: simplifie
d
ca
l
culat
i
o
ns in do_
f
l
e
x
_
l
o
wlevel
commit
|
commitdiff
|
tree
2009-08-24
C
arsten Kutz
n
e
r
Merged in changes from ma
s
t
e
r branch
commit
|
commitdiff
|
tree
2009-08-24
Ca
r
ste
n
Kutzner
Re
n
amed rota
t
ion
.
{c,h} to pull_rotat
i
on
commit
|
commitdiff
|
tree
2009-08-20
Car
s
ten
K
ut
z
ne
r
C
learer ou
t
put
when multiple groups are rotated
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
F
i
x
e
d calcu
l
ation of nsl
a
bs in reduce_output w
h
en multiple
.
.
.
commit
|
commitdiff
|
tree
2009-08-20
C
arsten
K
ut
z
ner
Rem
o
ved // style
c
omments
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
Initial
c
ommit
of enforced ro
t
atio
n
add-on
commit
|
commitdiff
|
tree
2009-08-20
Cars
t
en Kut
z
n
e
r
S
t
a
rted new bran
c
h '
r
ot
a
tio
n
' for en
f
or
c
ed
r
ota
t
ion
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Carst
e
n Kutzne
r
Fixed u
n
i
n
i
tialized vari
a
ble in gmx_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
Ca
r
sten Kutzner
Merge
bra
n
ch 'master'
of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-29
C
a
rsten Kutz
n
er
Merge branch 'master'
of git@git
.
g
r
oma
c
s
.
org:g
r
o
m
acs
commit
|
commitdiff
|
tree
2009-07-28
C
arsten Kut
z
ner
set init_step on pme
onl
y
node
s
wh
e
n co
u
nter resetting
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
C
a
rsten Kutzner
Counter resettin
g
also on the PME only nodes
commit
|
commitdiff
|
tree
2009-07-16
C
a
r
s
ten Ku
t
zner
Check
md
.
log to en
s
ur
e
GMX_RESET_COUNTERS was passed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Carsten Kutzner
C
h
eck whethe
r
mpirun acc
e
pts -x op
t
ion
commit
|
commitdiff
|
tree
2009-07-15
Carsten Kutzner
M
e
r
ge
bran
c
h 'm
a
ster' of
g
it@git
.
groma
c
s
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-07-15
C
a
rsten Kutzner
S
everal im
p
rovements to gmx_tune_pme
commit
|
commitdiff
|
tree
2009-07-07
C
arst
e
n Kut
z
ner
Merge branch
'master
'
of git@
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzne
r
Removed unus
e
d
m_r
v
ec* funct
i
o
n
s in vec
.
h (
u
n
n
eeded
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carsten
K
utzne
r
Mad
e
the optional GMX_BARRIERS work with separate PME
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Carsten Kutzner
Outp
u
t t
h
e correct number of files in read_tpr_p
u
llx
f
_files
commit
|
commitdiff
|
tree
2009-06-23
Carsten K
u
t
z
ner
Fixed check_oo memory corru
p
tion problem
commit
|
commitdiff
|
tree
2009-06-22
Carsten Kutzner
Merge branch 'm
a
ster' of git@gi
t
.
gromacs
.
org:g
r
o
m
acs
commit
|
commitdiff
|
tree
2009-06-19
C
ar
s
ten Ku
t
z
n
e
r
Remove
d
a
ll static va
r
iables in edsam
.
c
commit
|
commitdiff
|
tree