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Clean-up gmx_eof
2014-03-11
C
h
ris
t
o
ph Jungha
n
s
Instal
l
en
u
ms
.
h
commit
|
commitdiff
|
tree
2014-03-01
C
hristoph Junghans
switch ld_seed f
r
o
m int to gmx_int64_t
commit
|
commitdiff
|
tree
2014-02-20
Christoph Ju
n
g
h
a
n
s
adde
d
gmx_is_{single
,
double}_precision
commit
|
commitdiff
|
tree
2014-02-03
Christoph Ju
n
gh
a
ns
cmake eats
slashes
commit
|
commitdiff
|
tree
2014-01-28
Ch
r
istoph Junghans
cmake: added FF
T
W_URL to allow easy
o
ffline
b
u
ild
commit
|
commitdiff
|
tree
2013-12-29
Chr
i
st
o
ph Junghans
cmake: ma
k
e GMX
_
BUILD_OWN_FFTW work without fortra
n
.
.
.
commit
|
commitdiff
|
tree
2013-12-20
Christoph Junghans
re-add Cars
t
en & me to the copy
r
ite
commit
|
commitdiff
|
tree
2013-10-03
C
h
ri
s
t
o
ph Junghans
Fix p
a
ra
l
lel buil
d
for GMX_BUILD_OWN_FFTW
commit
|
commitdiff
|
tree
2013-09-26
Christoph Junghans
Drop md5sum check for
G
M
X_BU
I
LD_OWN_FFTW
commit
|
commitdiff
|
tree
2013-07-30
Christ
o
p
h
J
u
ng
h
ans
cm
a
k
e: Improve some
e
r
ror messages
commit
|
commitdiff
|
tree
2013-07-06
Christoph Ju
n
ghans
more pkg-config fixes
commit
|
commitdiff
|
tree
2013-07-04
C
hristoph
Junghans
Fix
e
d
some inco
n
sistencies in
p
k
g
-config
files
commit
|
commitdiff
|
tree
2013-05-15
Christ
o
p
h Junghans
Merg
e
"fi
x
ed incorr
e
ct
scalin
g
of
cos-
a
cceleration
.
.
.
commit
|
commitdiff
|
tree
2013-05-10
Christoph Junghans
improve build with OpenM
M
, still n
o
t 100
%
fixed
commit
|
commitdiff
|
tree
2013-04-29
Christoph Ju
n
ghans
Merge "Fi
x
another bu
g
i
n
selec
t
ion sub
e
x
pr
e
ssion handl
i
ng
.
"
commit
|
commitdiff
|
tree
2013-04-29
Christoph Junghans
Merg
e
"
F
ix bu
g
in selection su
b
expression handling
.
"
commit
|
commitdiff
|
tree
2013-04-26
C
hristoph Junghans
Me
r
ge
"
v
-
r
escale works with tau-t
>= 0"
into rele
a
se-4-6
commit
|
commitdiff
|
tree
2013-04-16
Christoph Jun
g
hans
U
se gi
t
snapshots of
t
h
e
tests if are o
n
git
commit
|
commitdiff
|
tree
2013-03-29
Christoph
J
u
nghans
M
erge "Added i
n
stall guide
s
ecti
o
n
for BLAS/LAPACK
.
.
.
commit
|
commitdiff
|
tree
2013-03-19
Christoph
J
unghans
M
erge "Essential dynam
i
cs
:
fixed
l
e
gend in ED
.
xvg
.
.
.
commit
|
commitdiff
|
tree
2013-03-02
Christoph Junghans
Me
r
ge "Uncrustified code c
h
anges since 4
.
6" into release-4-6
commit
|
commitdiff
|
tree
2013-02-26
Ch
r
istop
h
Junghans
Merge "Me
r
ge r
e
l
e
a
se-4-6 int
o
ma
s
ter"
commit
|
commitdiff
|
tree
2013-02-20
C
hrist
o
ph
Junghans
Bump shared obj
e
ct version to
8
commit
|
commitdiff
|
tree
2013-02-12
Christoph
J
unghans
Updated Find
G
SL
.
cmak
e
t
o version w
r
itte
n
by me
.
commit
|
commitdiff
|
tree
2013-02-05
Christoph Jungh
a
ns
Merge "Do
c
umented what GMX
_
CPU_AC
C
ELERATION really
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
Chri
s
toph Junghans
improve setup of mu
l
t
i
ple t
f
t
ables
commit
|
commitdiff
|
tree
2013-02-02
Christop
h
Junghans
Fixed flop
counting
f
or
generic
c
g
/a
d
ress kern
e
ls
commit
|
commitdiff
|
tree
2013-02-02
C
hristoph Junghans
cmake: fixed typo in
t
e
mpla
t
e CMa
k
eLi
s
ts
.
txt
commit
|
commitdiff
|
tree
2013-01-25
Christoph Junghans
fixed copyrigh
t
of
adress
ker
n
e
l
commit
|
commitdiff
|
tree
2013-01-25
C
h
ristoph Junghans
Merge "Mo
v
ed a few co
m
men
t
s back into position
"
i
n
to
.
.
.
commit
|
commitdiff
|
tree
2013-01-21
C
h
ristoph Jungha
n
s
Merge "Set
v
ersion info for 4
.
6
.
x rel
e
ase series" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2013-01-19
Christoph Junghans
Re-licen
c
ed
F
indGR
O
MACS
.
cmake
(
w
a
s written by me
)
commit
|
commitdiff
|
tree
2013-01-17
C
h
r
istoph Junghans
Merge "Added
n
ote
about
make_edi
a
nd floo
d
in
g
in ED
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
C
hr
i
s
t
oph Junghans
Merge "us
e
t
h
e c
o
mpiler version provided by
CMake
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
C
h
ristoph Junghans
Merge "no
t
e the reason for aut
o
-disabling G
P
U support
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Chr
i
s
t
oph Junghans
clean up
f
o
rtr
a
n n
a
me ma
n
gling
commit
|
commitdiff
|
tree
2013-01-16
Christoph Junghans
Re
m
ove d
e
bug
st
a
tment
commit
|
commitdiff
|
tree
2013-01-15
Chris
t
o
p
h
Junghans
Merg
e
"Added fatal e
r
ror for constrai
n
ts
+
L-BFG
S
minimizer
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
C
h
ristop
h
J
u
nghans
Merge "disable Ope
n
MP with
a
l
l
OS X gcc 4
.
2-
b
ased co
m
piler
s
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christop
h
Junghans
Mer
g
e
"Remove unused
b
fun
c
.
h
.
" int
o
release-4-
6
commit
|
commitdiff
|
tree
2013-01-13
Christop
h
Junghans
Merge "Cl
a
rified some comments
&
warning
s
about thread
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christoph Junghans
Merge "Manage Blue
G
ene/Q
c
onfig
u
ration" into
r
elea
s
e-4-6
commit
|
commitdiff
|
tree
2013-01-13
C
h
ristoph Junghans
Merg
e
"Re-
o
rg
a
nize B
l
u
e
G
ene toolchain files" into release-4-6
commit
|
commitdiff
|
tree
2013-01-13
Christ
o
ph Junghans
Merge
"
Ch
a
nged
de
f
aults
fo
r
building s
h
ared
l
ibraries
.
.
.
commit
|
commitdiff
|
tree
2013-01-12
Christo
p
h Junghans
Merge "Added missin
g
export" in
t
o
release-4-6
commit
|
commitdiff
|
tree
2013-01-11
Christ
o
ph Junghan
s
M
erge "con
s
o
le and
log out
p
ut
i
m
pro
v
ements" into
r
elease-4-6
commit
|
commitdiff
|
tree
2013-01-11
Christoph Junghans
M
erge "
F
ix CUD
A
being quiet and
m
ark all CUDA_* a
s
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Christoph Jung
h
ans
Merge "Remove incorrect asser
t
adde
d
by
05f9a
7
40"
into
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Christoph Junghan
s
c
m
ak
e
: remove double-negative quo
t
es logic
commit
|
commitdiff
|
tree
2013-01-07
Christoph Junghans
Merge "Make
g
m
x_
c
puid
.
h self-stan
d
ing
.
" into release-4-6
commit
|
commitdiff
|
tree
2013-01-03
Ch
r
istoph Junghans
add an option t
o
n
o
t
b
uil
d
th
e
templ
a
te
commit
|
commitdiff
|
tree
2013-01-03
Christoph Junghans
Add
missin
g
defines to PKG_CF
L
AGS
commit
|
commitdiff
|
tree
2013-01-03
Chri
s
toph Junghans
Merge
"
Remo
v
e
n
on-functi
o
nal PowerP
C
invsq
r
t
.
"
i
nto
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Chri
s
to
p
h Junghans
cmake: a
d
d
option to ins
t
a
ll libmd as libgmxmd
commit
|
commitdiff
|
tree
2012-12-22
Christoph Junghans
cmake: mark FFTW_HAVE_{SIMD,AVX} as ad
v
a
n
c
e
d
commit
|
commitdiff
|
tree
2012-12-21
C
h
ristoph
J
unghans
M
e
r
g
e "Remove non-functional com
p
iler override for
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
C
hristoph
J
unghans
Merge "F
i
xed AVX256
dou
b
le-pr
e
cisio
n
kernels fo
r
gcc
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Christoph
J
unghans
cmak
e
:
added option
t
o disable quote
s
commit
|
commitdiff
|
tree
2012-12-18
Christop
h
Junghans
Merge "Fixes redmine i
s
su
e
#1
0
71" into release-4-6
commit
|
commitdiff
|
tree
2012-12-17
Christop
h
Ju
n
ghans
Remove the rest of the for
t
ran/power6 acceleratio
n
commit
|
commitdiff
|
tree
2012-12-13
Chr
i
st
o
p
h
Jun
g
h
a
n
s
Mer
g
e "E
x
te
n
ded genbox to inse
r
t
molecules at
g
i
ven
.
.
.
commit
|
commitdiff
|
tree
2012-12-13
C
h
ristop
h
Junghans
Always build template program
commit
|
commitdiff
|
tree
2012-12-11
Christoph Junghans
M
erg
e
"Fix
c
ompil
a
tion w
i
th PGI"
i
nto
rele
a
s
e-4-6
commit
|
commitdiff
|
tree
2012-12-10
Christoph Ju
n
ghans
Merge "force C++ linking
of
the gpu_util
s
"
i
nto re
l
ease-4-6
commit
|
commitdiff
|
tree
2012-12-05
Christ
o
ph Junghans
f
ixed obsole
t
e gmx_fatal
in OpenM
M
build
commit
|
commitdiff
|
tree
2012-11-29
Christ
o
ph
J
unghans
Merge "Print error if no thre
a
d suppo
r
t is available
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Chr
i
stoph Jun
g
hans
Merge "
F
ix
cpa
c
k src ig
n
ore rule" into releas
e
-4-6
commit
|
commitdiff
|
tree
2012-11-28
Chris
t
o
p
h J
u
nghans
A
d
d
o
ption to int
e
rn
a
lly build FFTW i
f
selected
commit
|
commitdiff
|
tree
2012-11-22
Christoph Jung
h
ans
improve FindG
R
OMACS
.
cmake
commit
|
commitdiff
|
tree
2012-11-20
Christoph Jungha
n
s
Merge "Fix g_msd -mol" into release-4-6
commit
|
commitdiff
|
tree
2012-11-20
C
hr
i
s
t
oph Junghans
Merge "Fixes bug
i
n g
_
hbond that make
s
it
p
roduce fat
a
l
.
.
.
commit
|
commitdiff
|
tree
2012-11-16
Christo
p
h Junghans
R
emove rest o
f
the xml support
commit
|
commitdiff
|
tree
2012-11-15
Christop
h
Junghans
M
e
rge "Test that
compiling and lin
k
ing
of AVX work
s
.
.
.
commit
|
commitdiff
|
tree
2012-11-12
Christoph Junghans
Merg
e
"Option t
o
create s
y
mlinks
t
o g_ana
.
"
commit
|
commitdiff
|
tree
2012-11-12
Christop
h
Junghans
Merge "Alway
s
u
s
e relative
i
ns
t
a
ll path
s
.
"
commit
|
commitdiff
|
tree
2012-11-08
Chri
s
toph J
u
nghans
Merge
"
auto-s
e
t nvc
c
host compiler with FindMP
I
detection
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
C
hristoph Ju
n
ghans
Merge "Relocated logic o
f
simp
l
e-vs-GPU Ewa
l
d ta
b
le
.
.
.
commit
|
commitdiff
|
tree
2012-11-07
Christoph Junghans
Obey DSO standard
commit
|
commitdiff
|
tree
2012-11-03
Christoph
J
unghans
Reworked version of cmake FFTW
detection
commit
|
commitdiff
|
tree
2012-11-01
Christ
o
ph Jungh
a
ns
Actually
disable GP
U
w
h
en compiling in dou
b
le
commit
|
commitdiff
|
tree
2012-10-27
Christo
p
h
Jungh
a
ns
Merge "F
i
x large file supp
o
rt"
into release-4-5
-
p
atche
s
commit
|
commitdiff
|
tree
2012-10-26
Chri
s
toph
Junghans
Mer
g
e "enable G
M
X
_PR
E
FER_S
T
ATIC_LIBS CMake option on
.
.
.
commit
|
commitdiff
|
tree
2012-10-26
Ch
r
i
s
to
p
h Jung
h
ans
M
erge
"
fix
false positive gcc
4
.
7 warning i
n
libxdr
f
.
.
.
commit
|
commitdiff
|
tree
2012-10-10
Chri
s
top
h
J
u
n
g
h
ans
fixed h
e
ader for 3rd party a
p
p
s
commit
|
commitdiff
|
tree
2012-10-02
Chr
i
stop
h
Junghans
M
er
g
e "
M
e
r
ge release-4-6 into ma
s
t
e
r"
commit
|
commitdiff
|
tree
2012-09-27
Christoph
Junghan
s
M
erge "Fix
e
d an of
f
-by
-
one error in a
t
om counting in
.
.
.
commit
|
commitdiff
|
tree
2012-09-25
Christop
h
J
u
n
ghans
Merge "Fix REMD use of gmx_
l
arge_int_t for #st
e
ps
v
a
riabl
e
.
.
.
commit
|
commitdiff
|
tree
2012-09-14
Christoph Junghans
Merge "fixed
recent bu
g
with grom
p
p
c
heck for
P
-
R P
.
.
.
commit
|
commitdiff
|
tree
2012-09-10
Chr
i
stoph Jungh
a
ns
update
d
re
f
erences
commit
|
commitdiff
|
tree
2012-09-10
Christoph Junghans
Merge "Al
l
ow 'atomn
a
m
e
' and 'at
o
mtype' in selectio
n
s
.
"
commit
|
commitdiff
|
tree
2012-09-07
C
hri
s
toph Ju
n
gh
a
ns
Merge "Fix V
M
D p
l
u
g
in
s
o
n Windows" int
o
release-
4
-6
commit
|
commitdiff
|
tree
2012-09-07
Chr
i
stoph
Jun
g
hans
Merge
"Check th
a
t g
m
x_de
t
ectcpu runs correctly" into
.
.
.
commit
|
commitdiff
|
tree
2012-09-04
Chr
i
stoph Junghan
s
M
e
rge "
F
ixes too m
a
ny
backup files
f
o
r
*
.
n
r
off fil
e
s
.
.
.
commit
|
commitdiff
|
tree
2012-09-04
Chr
i
stoph
Jungha
n
s
M
e
r
ge
"Reorganize Comm
a
ndLin
e
HelpWriter
i
m
pleme
n
tati
o
n
.
"
commit
|
commitdiff
|
tree
2012-09-04
Chri
s
toph Jung
h
an
s
Mer
g
e "Fix SelectionParserParameter
move con
s
t
r
uctor
.
.
.
commit
|
commitdiff
|
tree
2012-08-20
Christoph Ju
n
gha
n
s
Merg
e
"Fixing o
f
t
hings ass
o
ciate
d
w
i
t
h
amin
o
acid
.
r
tp
.
.
.
commit
|
commitdiff
|
tree
2012-08-20
C
h
ristop
h
Jung
h
an
s
M
e
r
g
e "Clean up som
e
variable naming for eigensolving
.
.
.
commit
|
commitdiff
|
tree
2012-08-20
Christoph Junghans
M
er
g
e "Fix coord
i
nate is zero check in gmxcheck" into
.
.
.
commit
|
commitdiff
|
tree
2012-08-20
Christoph J
u
nghans
M
e
rge "Exp
l
icitly n
o
t
e
d an i
s
sue with us
e
of genbox
.
.
.
commit
|
commitdiff
|
tree
2012-08-13
C
hristoph Junghans
fix AdResS and
l
ong-ra
n
g
e electr
o
s
tatics warning
commit
|
commitdiff
|
tree
next