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speed up tuning for large numbers of processes
2010-06-24
Carsten
K
utzner
spe
e
d
up tuning for large
n
umbers of process
e
s
commit
|
commitdiff
|
tree
2010-06-24
Cars
t
en
Kutz
n
e
r
t
ry to avoid weir
d
PME
/
PP combinations i
n
g_
t
u
ne_pme
commit
|
commitdiff
|
tree
2010-06-22
Carsten Kutz
n
er
g_tune_pme
n
o
w
a
lso updates rlistlong etc
.
commit
|
commitdiff
|
tree
2010-06-21
Carsten Kutzner
g_tune_pme:
a
dd option to ch
o
ose how nprocs is passed
.
.
.
commit
|
commitdiff
|
tree
2010-06-17
Carsten Kutzner
Merge
branch 'master' of git
.
g
r
omacs
.
org:
g
ro
m
acs
commit
|
commitdiff
|
tree
2010-06-17
Car
s
ten Kutzn
e
r
f
i
xed tuning for loadleveler and updated it t
o
modi
f
ied
.
.
.
commit
|
commitdiff
|
tree
2010-06-16
Carsten Kut
z
ne
r
fix
e
d g_tun
e
_pme for t
h
e use
w
ith IBM's po
e
commit
|
commitdiff
|
tree
2010-06-08
Carste
n
Kutzner
f
i
xed continuatio
n
run
s
with
essential dynamic
s
commit
|
commitdiff
|
tree
2010-06-04
Ca
r
sten Kutzner
removed todo item
commit
|
commitdiff
|
tree
2010-06-04
Carste
n
Kutzne
r
fix
e
d tuning w
i
th checkp
o
int
files
commit
|
commitdiff
|
tree
2010-06-04
Carsten Kut
z
ner
f
i
xe
d
file
appen
d
i
n
g for essen
t
ial dynam
i
cs output
.
.
.
commit
|
commitdiff
|
tree
2010-06-04
Cars
t
en Kutzn
e
r
fixed -deff
n
m option f
o
r
g
_tune_pme
commit
|
commitdiff
|
tree
2010-04-23
C
a
rsten
K
utzner
M
e
rge b
r
anch 'm
a
ster' of
git
.
gromac
s
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-04-23
Carsten Kutzner
fixed segv
'
s
in gm
x
_cluster when used with xpm i
n
put
.
.
.
commit
|
commitdiff
|
tree
2010-02-03
Carsten Kutzner
U
pdated edsam
.
h
commit
|
commitdiff
|
tree
2010-02-03
Carsten
K
utzner
Removed useless code
i
n dd_m
a
ke
_
local_group_i
n
dice
s
commit
|
commitdiff
|
tree
2010-01-26
Carsten
K
utzne
r
Fixed segv in mak
e
_edi when no refe
r
e
n
ce structur
e
.
.
.
commit
|
commitdiff
|
tree
2010-01-26
Car
s
ten Kutzn
e
r
Fixed segv in make_edi when no refe
r
ence stru
c
ture
.
.
.
commit
|
commitdiff
|
tree
2010-01-18
Carste
n
Ku
t
zn
e
r
R
esubmitted changes tha
t
were accidentally
u
ndone by
.
.
.
commit
|
commitdiff
|
tree
2010-01-13
Ca
r
sten Kutzner
Merge branch 'master'
of g
i
t
@
git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-13
C
arsten Kutzner
Moved ro
u
t
ines t
h
at
collect group
co
o
rds
f
or co
m
parison
.
.
.
commit
|
commitdiff
|
tree
2009-12-21
Carsten
K
utzner
Merge bra
n
c
h 'master' of git@git
.
g
ro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-21
C
a
r
s
t
en Kutzner
Es
s
ential dynamics: fixed segfault
when usin
g
sd2
i
n
tegra
t
or
commit
|
commitdiff
|
tree
2009-12-21
Carsten Kutz
n
er
Esse
n
tial dynamics: fixed segfaul
t
whe
n
u
s
i
ng s
d
2
i
nteg
r
ator
commit
|
commitdiff
|
tree
2009-11-30
Carsten Kutzner
g
_
tune_pme now does pro
p
er
cleanup also with pul
l
simul
a
t
i
o
ns
commit
|
commitdiff
|
tree
2009-10-21
Carsten Kutzner
g_tune_pme
now also accepts < 3 nodes, also outpu
t
s
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
Carsten Ku
t
zner
Merge branch 'mas
t
er' of git@git
.
gromacs
.
o
r
g:
g
romac
s
commit
|
commitdiff
|
tree
2009-10-12
Carsten
K
utzner
cycl
e
counters can n
o
w
b
e
r
ese
t
by
a
(
h
idden) mdrun
.
.
.
commit
|
commitdiff
|
tree
2009-09-16
Carsten Kutzner
Merge branch
'
m
aster'
of
g
it@gi
t
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-16
Ca
r
sten Kutz
n
er
Fixed format conver
s
ions in g
m
x_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-09-07
Carsten Kutzner
Edsam: Added the poss
i
bility t
o
flood towards a
ce
r
tain
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Carsten K
u
tzn
e
r
Fix
e
d
un
i
nitialized v
a
r
iable i
n
gmx_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
C
a
rsten Kutzner
Merg
e
branch
'
mast
e
r' of git@git
.
g
romacs
.
or
g
:gr
o
m
ac
s
commit
|
commitdiff
|
tree
2009-07-29
Carst
e
n
K
utzner
Merge branch 'm
a
s
ter'
o
f git@git
.
gr
o
mac
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-07-28
Carsten Kutzner
set init_step on pme only nod
e
s when counter resetting
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
C
arsten Kutzner
Counter
resett
i
ng
als
o
o
n the PME o
n
ly node
s
commit
|
commitdiff
|
tree
2009-07-16
Carsten Kutz
n
er
Check
m
d
.
l
og to ensure GMX_
R
ESET_COUNTERS was
p
assed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Carsten Kutzn
e
r
Check whether mpi
r
un accepts -x option
commit
|
commitdiff
|
tree
2009-07-15
Carst
e
n
Kutzner
Me
r
ge br
a
nch 'master' of
g
i
t
@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-15
Carste
n
Ku
t
zner
Sever
a
l improvements to
gmx
_
tu
n
e
_
pme
commit
|
commitdiff
|
tree
2009-07-07
Ca
r
s
t
en
Kutzner
Merge
b
r
anc
h
'm
a
st
e
r' of git@git
.
gr
o
macs
.
o
r
g
:groma
c
s
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutz
n
er
Rem
o
ved unused m_rvec* functions in
ve
c
.
h
(
unne
e
ded
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
C
arsten Kut
z
ner
M
ade the opti
o
nal
GMX_BARRI
E
RS work w
i
th separate PME
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Cars
t
en Kutzner
Output
the correct number of
f
iles in
r
e
ad_tpr_
p
ullxf_files
commit
|
commitdiff
|
tree
2009-06-23
Carsten Kutzner
F
ix
e
d
check_oo memor
y
corr
u
ption probl
e
m
commit
|
commitdiff
|
tree
2009-06-22
Carst
e
n Kut
z
n
e
r
Merge branch 'master' of git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-06-19
Carsten
Kutzner
Remo
v
ed all static variables in edsam
.
c
commit
|
commitdiff
|
tree