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Fixes for install guide page.
2013-03-05
Jus
t
in Lemkul
F
i
xes for install gu
i
de page
.
commit
|
commitdiff
|
tree
2013-03-05
Mark Abraham
Updated ins
t
all g
u
ide
commit
|
commitdiff
|
tree
2013-03-02
Ch
r
istoph Jun
g
hans
Merge "Uncrustif
i
ed
c
ode changes
s
ince 4
.
6
" into release
-
4-6
commit
|
commitdiff
|
tree
2013-02-20
Christoph Ju
n
g
h
ans
Bump
shar
e
d obje
c
t v
e
rs
i
on to 8
commit
|
commitdiff
|
tree
2013-02-20
Berk Hess
fixed is
s
u
e
s with
FEP soft-c
o
r
e
and
cut-off's
commit
|
commitdiff
|
tree
2013-02-18
Berk Hess
fix
e
d
GPU particle gridding p
e
rf
o
rmance issue
commit
|
commitdiff
|
tree
2013-02-18
Carst
e
n K
u
tzner
Made g_tune_pm
e
wor
k
with 4
.
6 if use
r
sets "-p" command
.
.
.
commit
|
commitdiff
|
tree
2013-02-18
Mark Abraham
Fix CMake
namesp
a
c
e po
l
lution
commit
|
commitdiff
|
tree
2013-02-15
Mark
A
braham
Merge "Minor fixes
t
o Verlet kernels" into release-
4
-6
commit
|
commitdiff
|
tree
2013-02-15
Mark Abraham
Me
r
ge "
i
mprov
e
d
P
ME load balancing
r
epo
r
ting" into
.
.
.
commit
|
commitdiff
|
tree
2013-02-15
Mark
Abraham
Merge "Re-g
e
nerated group kernels" into re
l
ease
-
4-
6
commit
|
commitdiff
|
tree
2013-02-15
Mark Abrah
a
m
Merge
"
Unwinds fla
g
depend
e
ncies in g_
o
rder
.
" into
.
.
.
commit
|
commitdiff
|
tree
2013-02-15
David van der Spoel
Merge
"Fixed an in
i
tialization issue in gmx_dipoles
.
.
.
commit
|
commitdiff
|
tree
2013-02-15
Mar
k
Abraham
Merge "use lega
c
y CUD
A
non-bonded ke
r
nels only on
F
ermi
.
.
.
commit
|
commitdiff
|
tree
2013-02-15
M
a
rk Abraham
Merge "More descriptive Verlet k
e
r
nel
ma
c
ro parame
t
er
.
.
.
commit
|
commitdiff
|
tree
2013-02-15
Berk
H
ess
impro
v
ed
P
ME load
balancing reporting
commit
|
commitdiff
|
tree
2013-02-15
Mark Abraham
M
i
nor fixe
s
to
V
erlet kernels
commit
|
commitdiff
|
tree
2013-02-15
Mark
Abra
h
am
Merge
"Fix and a
d
d V
e
rlet kern
e
l error messa
g
es"
i
nto
.
.
.
commit
|
commitdiff
|
tree
2013-02-13
Sander Pronk
M
erg
e
"Fix code bug with
t
hr
e
ad-MPI on
P
owerPC with
.
.
.
commit
|
commitdiff
|
tree
2013-02-13
Rol
a
nd Schulz
Merge
"
Fi
x
ed the MPI recogniti
o
n string in g_tu
n
e_pme
.
.
.
commit
|
commitdiff
|
tree
2013-02-13
R
o
land Schulz
Merge
"
i
m
p
r
o
ve setu
p
of
mul
t
iple tf tables" into rele
a
s
e
-
4
-6
commit
|
commitdiff
|
tree
2013-02-13
Roland Schulz
Merge "Upd
a
ted FindGSL
.
cmake to version wri
t
te
n
by
.
.
.
commit
|
commitdiff
|
tree
2013-02-12
M
ark Abraham
Merge "P
M
E-
o
n
l
y cou
n
t
ers are now reset wit
h
-maxh
.
.
.
commit
|
commitdiff
|
tree
2013-02-12
Christoph Junghans
U
p
d
ated FindGS
L
.
cmake to ve
r
s
i
on wri
t
t
e
n by m
e
.
commit
|
commitdiff
|
tree
2013-02-12
Mark Abraham
Merg
e
"f
i
xed bug with sd
i
n
t
egrator and OpenMP
t
h
reading
.
.
.
commit
|
commitdiff
|
tree
2013-02-12
M
ark Abraham
Me
r
g
e "Fix C
U
D
A_HO
S
T
_
COMPILER flag name"
i
nto
r
ele
a
se-4-6
commit
|
commitdiff
|
tree
2013-02-09
Roland Schulz
Me
r
ge "T
y
po fix" i
n
to r
e
lea
s
e-4-6
commit
|
commitdiff
|
tree
2013-02-08
Mark
A
br
a
ham
Merge "
a
d
d
e
d
back c
u
da
.
h in
c
ludes to fix missing CU
D
A_VERS
I
O
.
.
.
commit
|
commitdiff
|
tree
2013-02-08
Mark Abra
h
am
Merge
"
Fixed flop cou
n
t
i
n
g
for generic
cg/adre
s
s kern
e
ls
.
.
.
commit
|
commitdiff
|
tree
2013-02-08
M
ark Abraham
Merge "cmake: fixed typo in template CMakeLi
s
ts
.
txt
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
Christo
p
h Junghans
Merge "Documented
what G
M
X_CPU_ACCEL
E
RATION rea
l
ly
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
Mark A
b
raham
Merge
"impro
v
e
d l
o
ad bal
a
ncing on the G
P
U"
into
r
el
e
ase-4
-
6
commit
|
commitdiff
|
tree
2013-02-01
Berk Hess
P
M
E-only counters
a
r
e
no
w
reset with -maxh -resethway
commit
|
commitdiff
|
tree
2013-01-25
C
h
ristoph Jung
h
ans
M
erge "Mo
v
e
d
a few
comments bac
k
into pos
i
tion"
into
.
.
.
commit
|
commitdiff
|
tree
2013-01-22
M
a
rk Abraham
Merge
"
Illegal accele
r
ation defa
u
lted to
Q
PX" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-22
Mark Abraha
m
Merge "
R
e-licen
c
ed FindGROMACS
.
c
m
ake (w
a
s written
b
y
.
.
.
commit
|
commitdiff
|
tree
2013-01-22
Ro
l
and Schulz
Illegal a
c
c
e
l
eration defaul
t
ed to QPX
commit
|
commitdiff
|
tree
2013-01-22
Mar
k
Abrah
a
m
Merge "Fix TOUPPER usa
g
e"
in
t
o rel
e
ase-4-6
commit
|
commitdiff
|
tree
2013-01-22
Mar
k
Abraham
M
e
rge "Updated
h
t
m
l
manu
a
l t
o
4
.
6
"
in
t
o
release-4-6
commit
|
commitdiff
|
tree
2013-01-22
Mark Abraham
Merge "added mis
s
ing clean
u
p of some nbnxn
_
cu
d
a
dat
a
.
.
.
commit
|
commitdiff
|
tree
2013-01-22
Roland S
c
hulz
Fix TOUPPER usage
commit
|
commitdiff
|
tree
2013-01-22
Roland Schulz
Updated htm
l
manual
t
o
4
.
6
commit
|
commitdiff
|
tree
2013-01-21
Christoph Junghans
Merge
"
Set v
e
rsion info for 4
.
6
.
x r
e
l
ease
s
e
r
ies
"
into
.
.
.
commit
|
commitdiff
|
tree
2013-01-18
Ma
r
k A
b
raham
Set ve
r
sion info
for 4
.
6
.
x
releas
e
series
commit
|
commitdiff
|
tree
2013-01-18
Mark
Abra
h
am
New maj
o
r re
l
ease: 4
.
6
commit
|
commitdiff
|
tree
2013-01-18
Michael Shirts
Add
e
ndum
for expanded ense
m
ble
o
p
t
i
on
s
plus formatting
.
.
.
commit
|
commitdiff
|
tree
2013-01-18
Roland Schulz
Fix typ
o
commit
|
commitdiff
|
tree
2013-01-18
Roland Schulz
Co
d
e beautifi
c
at
i
on with uncrustify
commit
|
commitdiff
|
tree
2013-01-18
Roland
S
chul
z
Add
colon after
m
acro
t
o help uncrustify
commit
|
commitdiff
|
tree
2013-01-18
B
e
r
k Hess
thread affin
i
ty
now uses s
o
me topology informa
t
i
on
commit
|
commitdiff
|
tree
2013-01-18
Mark Abra
h
am
F
ixing copyright issues an
d
code contr
i
butor
s
commit
|
commitdiff
|
tree
2013-01-18
Erik
Lind
a
hl
Merge "
r
e
mo
v
e u
n
necessar
y
cmake mes
s
ages" into release-4
-
6
commit
|
commitdiff
|
tree
2013-01-18
E
r
i
k Lindahl
Merge
"
fi
x
OpenMP de
t
ec
t
i
o
n
on Mac OS broken by a6fee0b
.
.
.
commit
|
commitdiff
|
tree
2013-01-18
Szilá
r
d Páll
fix OpenMP detection on
M
a
c OS broken by a6
f
ee0b
commit
|
commitdiff
|
tree
2013-01-17
S
z
ilárd Páll
added missin
g
c
l
e
a
nup
o
f
s
ome nbnxn_cuda
d
ata
commit
|
commitdiff
|
tree
2013-01-17
Mark Abr
a
ha
m
Merg
e
"
R
emove unnecessary ICC flags
affecting performanc
e
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Mark Abra
h
a
m
Merge "im
p
r
o
ved CUD
A
kernel p
e
rform
a
nce by pr
e
-load
i
ng
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Chr
i
stoph Jun
g
hans
Merg
e
"Adde
d
note about mak
e
_edi
a
n
d
flooding in ED
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph Junghans
Merge "
u
se the compiler version
p
rovide
d
by CMa
k
e
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Roland Schulz
Merge "Merge
b
ranch 'relea
s
e-4-5-patches' into
release
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Szil
á
rd Páll
Merge changes
I930b316c,I
e
a
42
8
3e0,
I
103648f8 into rel
e
ase
-
4-6
commit
|
commitdiff
|
tree
2013-01-17
Mark Abr
a
ham
Merge "Fix trjconv -sub with
.
t
r
r fil
e
s"
into rele
a
se
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Mark Abraham
B
lueGene/Q installation notes
commit
|
commitdiff
|
tree
2013-01-17
Christ
o
ph Jun
g
h
ans
Merge "
n
ot
e
t
h
e reason for
auto-dis
a
bling GPU
support
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Mark
A
b
r
aham
Me
r
ge
"
Added mdp
o
ption 'ca
l
c-lam
b
da-n
e
ighbor
s
'
.
"
into
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Roland Sc
h
ul
z
M
e
rg
e
"clarif
y
wording
o
f GPU driver-relate
d
notes
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Rola
n
d
S
c
h
ulz
Merg
e
"Add
e
d
c
heck for valid w
a
ll_atomty
p
e in
.
md
p
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
M
a
rk
A
b
r
ah
a
m
F
ix trjconv -sub with
.
trr files
commit
|
commitdiff
|
tree
2013-01-17
Berk Hess
fixed SD+
B
D inte
g
ra
t
ion slo
w
ing down
with OpenMP threads
commit
|
commitdiff
|
tree
2013-01-17
Ro
l
a
nd Schulz
Run regres
s
i
o
ntests from bu
i
ld
commit
|
commitdiff
|
tree
2013-01-17
Sande
r
Pr
o
nk
Add
e
d m
d
p option
'
c
a
l
c-lambda-
n
eig
h
bors'
.
commit
|
commitdiff
|
tree
2013-01-17
Mark Abraham
Finally
m
ove
OpenMM to co
n
t
r
ib
commit
|
commitdiff
|
tree
2013-01-17
Roland Schulz
F
ix confu
s
ing gmx_header_co
n
fig
.
h include
commit
|
commitdiff
|
tree
2013-01-17
Szilard Pall
d
o
n't us
e
polling with new dri
v
er
commit
|
commitdiff
|
tree
2013-01-17
Christoph Junghans
clean
u
p
fortr
a
n name man
g
l
ing
commit
|
commitdiff
|
tree
2013-01-17
B
e
r
k Hes
s
fixed n
b
nxn hy
b
r
i
d
mode
wi
t
h Op
e
nMP
commit
|
commitdiff
|
tree
2013-01-17
B
erk
H
e
ss
made PME load balan
c
ing + DD D
L
B mor
e
efficient
commit
|
commitdiff
|
tree
2013-01-16
Chris
t
oph
J
un
g
hans
Remov
e
debug st
a
tmen
t
commit
|
commitdiff
|
tree
2013-01-15
Mark
A
b
ra
h
a
m
Merge "Hid nbnxn kerne
l
names behind a
lookup function
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
Christoph Ju
n
ghans
M
e
rge "Add
e
d fatal error for constraints
+ L-BFGS
m
inimizer
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
Christoph Junghans
Merge "
d
isable OpenMP with all OS
X
gcc
4
.
2-
b
ased
c
ompil
e
rs
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
San
d
er Pronk
M
erge
"Continuation
of
d
ocumentatio
n
for expanded e
n
semble
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
Ma
r
k Ab
r
aham
Ve
l
ocity-verl
e
t int
e
gr
a
tor
s
and
v
-rescal
e
a
r
e broken
commit
|
commitdiff
|
tree
2013-01-14
Carsten
K
utzner
Essential dynamics output f
i
le now
in
.
xvg form
a
t
commit
|
commitdiff
|
tree
2013-01-14
David van der
S
p
o
el
Me
r
ge "Fix
i
ng trj
c
on
v
-sub
"
in
t
o re
l
eas
e
-4-5-p
a
tche
s
commit
|
commitdiff
|
tree
2013-01-14
D
a
vid van
der
S
po
e
l
M
erge "Noting that an
d
w
h
y g
m
xdu
m
p
-
s
-sys is
b
r
o
ken
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Roland Schul
z
M
erg
e
"Fixes fo
r
m
d-vv
a
n
d
re
r
un" i
n
to release
-
4-6
commit
|
commitdiff
|
tree
2013-01-13
R
ol
a
nd
S
chu
l
z
Merge "fixed re
s
etting stat
e
s with p
a
r
a
llel
Ver
l
et
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Roland Schul
z
Proper f
i
x fo
r
copy
r
ite cud
a
dep
e
ndence
commit
|
commitdiff
|
tree
2013-01-13
Michael Shirts
F
ixes f
o
r md-vv and rerun
commit
|
commitdiff
|
tree
2013-01-13
Berk Hess
fi
x
ed resetting states with parallel
V
erlet
s
cheme
commit
|
commitdiff
|
tree
2013-01-13
Chri
s
to
p
h Junghans
Mer
g
e "Remove unused bfunc
.
h
.
" i
n
to rel
e
as
e
-4-6
commit
|
commitdiff
|
tree
2013-01-13
Christoph Junghans
Me
r
ge "
C
larifi
e
d som
e
comm
e
nts
&
war
n
ings a
b
out
threa
d
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christop
h
Junghans
Me
r
ge
"
M
a
nage
Blu
e
Gene/
Q
configuration" i
n
t
o
release-
4
-6
commit
|
commitdiff
|
tree
2013-01-13
Christ
o
ph Jung
h
ans
Merge "Re-or
g
anize BlueGene too
l
chain f
i
les" in
t
o relea
s
e
-
4-6
commit
|
commitdiff
|
tree
2013-01-13
Christoph Junghans
M
e
rge "Changed defaults for building shared librar
i
es
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Mar
k
A
braham
Clarified some comments & warnings about
t
h
r
ead pinning
commit
|
commitdiff
|
tree
2013-01-13
Roland Sc
h
ulz
Mer
g
e "prepared
t
he nbnxn
code for
non-
x
8
6
SI
M
D" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Mark Abr
a
ham
M
e
rge "Added basic
C
PU
topology
information to cp
u
id
.
.
.
commit
|
commitdiff
|
tree
2013-01-12
Berk
H
e
s
s
prep
a
red the nb
n
xn cod
e
f
or no
n
-x86 SIMD
commit
|
commitdiff
|
tree
next