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speed up tuning for large numbers of processes
2010-06-24
C
a
r
s
ten Kut
z
ner
speed up tuning fo
r
l
arge numb
e
rs of proc
e
sses
commit
|
commitdiff
|
tree
2010-06-24
Carsten Kutzner
t
ry to
a
vo
i
d
weird
PME/PP comb
i
nations in g_
t
u
ne_pme
commit
|
commitdiff
|
tree
2010-06-22
Ca
r
st
e
n Kutzn
e
r
g_tune_pme
now also updat
e
s rlistlo
n
g etc
.
commit
|
commitdiff
|
tree
2010-06-21
Carsten Kutz
n
er
g_tune_pme:
add option
t
o
c
h
oose how
nprocs is passed
.
.
.
commit
|
commitdiff
|
tree
2010-06-17
C
arsten Kutz
n
e
r
Merg
e
bra
n
ch 'master
'
of git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-17
Carsten Kutzner
fixed tuning for
l
o
adleveler and updated it
t
o modi
f
ied
.
.
.
commit
|
commitdiff
|
tree
2010-06-16
Car
s
t
e
n Kutzner
fixed g_tune_pme
for the
u
se w
i
th IBM's poe
commit
|
commitdiff
|
tree
2010-06-08
Ca
r
sten Kut
z
ner
fixed c
o
ntinuation runs wit
h
e
s
sentia
l
d
yna
m
ics
commit
|
commitdiff
|
tree
2010-06-04
C
a
r
ste
n
Kutzner
removed tod
o
item
commit
|
commitdiff
|
tree
2010-06-04
Carste
n
Kutzner
fixed t
u
ning with checkpo
i
nt fi
l
es
commit
|
commitdiff
|
tree
2010-06-04
Carsten K
u
t
zne
r
fixed file a
p
pending fo
r
es
s
ential dynamics output
.
.
.
commit
|
commitdiff
|
tree
2010-06-04
Carsten Kutzner
f
i
x
e
d
-deffnm option for g
_
tune
_
pm
e
commit
|
commitdiff
|
tree
2010-04-23
C
arsten Ku
t
zner
M
erge branch 'master' of git
.
g
romacs
.
o
r
g
:grom
a
cs
commit
|
commitdiff
|
tree
2010-04-23
Carste
n
Kutzne
r
fi
x
ed se
g
v's in gmx
_
c
l
u
s
t
er wh
e
n used with xpm input
.
.
.
commit
|
commitdiff
|
tree
2010-02-03
Carsten Kutzner
Updated
e
d
s
a
m
.
h
commit
|
commitdiff
|
tree
2010-02-03
Ca
r
st
e
n Kutzner
Remov
e
d useles
s
co
d
e in dd_make
_
local
_
group_
i
n
d
ices
commit
|
commitdiff
|
tree
2010-01-26
Ca
r
s
t
en Kutzner
F
ix
e
d segv in make_e
d
i wh
e
n
no
reference st
r
ucture
.
.
.
commit
|
commitdiff
|
tree
2010-01-26
C
a
rsten
K
ut
z
ner
Fixed seg
v
in make_edi w
h
en
no reference structure
.
.
.
commit
|
commitdiff
|
tree
2010-01-18
Carsten Kutzner
Resubmi
t
ted changes that w
e
re a
c
ci
d
entally u
n
done by
.
.
.
commit
|
commitdiff
|
tree
2010-01-13
Car
s
te
n
Kutzner
Merge
branch 'm
a
ster' o
f
g
i
t@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-13
Carsten Kutzner
Moved rou
t
i
nes th
a
t collect
g
rou
p
coords
for comparis
o
n
.
.
.
commit
|
commitdiff
|
tree
2009-12-21
Carst
e
n K
u
tz
n
er
Merge bra
n
ch 'maste
r
' of git@git
.
g
ro
m
acs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2009-12-21
Carsten Kutzner
Essential
dynamic
s
:
f
ixed
s
e
gfault
when usi
n
g sd2 integrator
commit
|
commitdiff
|
tree
2009-12-21
Carsten
Kutzn
e
r
Essential dyn
a
mics: fixed
s
egfault
when u
s
ing sd2 int
e
grator
commit
|
commitdiff
|
tree
2009-11-30
C
a
rsten
K
utzner
g_tune_pme now do
e
s proper cle
a
nup
also w
i
th
pull simulations
commit
|
commitdiff
|
tree
2009-10-21
Carsten Kutzner
g_tune_
p
me now also
accepts < 3 nodes, also
o
utputs
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
C
a
rste
n
K
utzner
M
erge branch
'
master' of git
@
git
.
g
r
omacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2009-10-12
Carsten Kutzn
e
r
cy
c
le counters ca
n
now be reset b
y
a
(
hidden) mdrun
.
.
.
commit
|
commitdiff
|
tree
2009-09-16
C
a
rst
e
n Kutzn
e
r
Merge b
r
anch
'
master' of git@
g
it
.
g
r
o
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-16
C
a
rsten Kutzner
Fixed format conv
e
rsions in gmx_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-09-07
C
a
rs
t
en Kutzne
r
Edsam: Adde
d
the possibi
l
ity to flood t
o
wards a certain
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
C
a
r
s
ten Kutzner
Fixed
uninitialized
variable
i
n gmx_t
u
ne_pm
e
.
c
commit
|
commitdiff
|
tree
2009-07-30
Carste
n
Kutzne
r
Merge branch 'master' of git@git
.
gro
m
acs
.
org:gro
m
a
c
s
commit
|
commitdiff
|
tree
2009-07-29
Ca
r
sten Kutzner
Merge branch 'maste
r
' of git@git
.
g
r
omacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-07-28
C
arsten Kutz
n
er
set
init_s
t
ep on pme only node
s
when counter resetting
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Carsten Kutzn
e
r
Counter resettin
g
also on
t
he PM
E
only no
d
es
commit
|
commitdiff
|
tree
2009-07-16
C
arsten
K
utzner
Check md
.
log to ensure GMX_RESET_COUNTERS was
p
a
ssed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Carsten Kutzner
Check whether mpir
u
n accepts
-
x option
commit
|
commitdiff
|
tree
2009-07-15
Carsten Kutzner
Merge branch
'
m
a
ster'
o
f git@git
.
grom
a
cs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-07-15
Carst
e
n
Kutzner
Several i
m
pr
o
vements to gmx_tune_pme
commit
|
commitdiff
|
tree
2009-07-07
Carst
e
n Kutzn
e
r
Merge branc
h
'
master
'
o
f git@git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-07
Ca
r
ste
n
Kutzner
Removed
u
nused m_rvec* functio
n
s in vec
.
h (u
n
need
e
d
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzner
M
a
de the opti
o
n
al
GMX_B
A
RRIERS work with separ
a
te PME
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Carsten Kutzner
Out
p
ut the correct nu
m
b
e
r of files in re
a
d_tpr_pullxf_file
s
commit
|
commitdiff
|
tree
2009-06-23
Ca
r
sten Kutzner
Fixed
c
h
e
ck_oo memory co
r
ruption problem
commit
|
commitdiff
|
tree
2009-06-22
Carsten Kutzn
e
r
Merge branch 'master' of git@git
.
gromacs
.
o
r
g
:g
r
omacs
commit
|
commitdiff
|
tree
2009-06-19
Carsten Kutz
n
er
Removed all sta
t
ic variables i
n
ed
s
am
.
c
commit
|
commitdiff
|
tree