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Use Git server (mirror) to avoid fetching problems
2012-02-21
Roland
S
c
h
ulz
Use Git ser
v
er (mirror) t
o
a
v
o
i
d f
e
tching problems
commit
|
commitdiff
|
tree
2012-02-05
Roland S
c
h
u
lz
Fix ICC on Windows Build
commit
|
commitdiff
|
tree
2012-01-31
Roland Schul
z
Reve
r
t
"Fix ICC
on Windows Build"
commit
|
commitdiff
|
tree
2012-01-31
R
o
land
S
c
h
ulz
Append all ICC P
e
rfor
m
ance flags only to Release F
l
ags
commit
|
commitdiff
|
tree
2012-01-31
Roland Sc
h
ulz
Fix sig
n
ed
/
unsig
n
e
d warnings
commit
|
commitdiff
|
tree
2012-01-31
Roland Schulz
Fix
ICC on Wi
n
dow
s
Build
commit
|
commitdiff
|
tree
2012-01-25
Roland Schulz
Merge "New ap
p
ro
a
ch for GerritBuild
s
cript" in
t
o release
.
.
.
commit
|
commitdiff
|
tree
2012-01-18
R
olan
d
Schulz
New approach for Ger
r
itB
u
ild s
c
ript
commit
|
commitdiff
|
tree
2011-12-27
R
ola
n
d Sch
u
lz
Merge "Added -d
h
dl to tpr
fi
l
e lis
t
, f
i
x
e
s #855" into
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
Roland Schulz
Merge "Using MinSizeRel configuration and Release target
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
Roland Schulz
Merge changes Iaf4c56b7,Ib
a
bed87f int
o
r
e
lease-4-5
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
Roland Schulz
Usi
n
g MinSiz
e
Re
l
config
u
ra
t
ion and Relea
s
e target on
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
Rola
n
d
S
chulz
Te
s
ting external
B
L
A
S
/
L
APACK
commit
|
commitdiff
|
tree
2011-12-15
Roland Sch
u
lz
U
sing
2 cores per build on
W
indows
commit
|
commitdiff
|
tree
2011-12-14
Roland
S
chul
z
Merge "R
e
-
f
ixed
s
t
atic li
n
king of maths
l
ibraries under
.
.
.
commit
|
commitdiff
|
tree
2011-12-13
R
o
lan
d
Schulz
Merge "Rel
a
xed
some assumptions about trajectory ti
m
e
s
.
.
.
commit
|
commitdiff
|
tree
2011-12-11
Roland Sc
h
ulz
Merge "Set -DMPI on
l
y if
c
ompi
l
ed for
FAH"
i
n
t
o release
.
.
.
commit
|
commitdiff
|
tree
2011-12-11
Roland Schulz
Se
t
-DMPI on
l
y
if compiled for FAH
commit
|
commitdiff
|
tree
2011-12-11
Rol
a
nd
S
chulz
F
i
x
i
ng
M
S
VC unsigned/sig
n
ed warnings
commit
|
commitdiff
|
tree
2011-12-10
Roland Schu
l
z
Run tests
a
lso on Windows
commit
|
commitdiff
|
tree
2011-12-09
Roland Schulz
Onl
y
check th
o
se atoms for PBC which
are par
t
o
f selection
.
.
.
commit
|
commitdiff
|
tree
2011-12-08
R
oland Schu
l
z
Merg
e
"
Fix selection parsing in double precision
.
"
.
.
.
commit
|
commitdiff
|
tree
2011-12-08
Roland Schulz
Merge "Avoid possible
warning
s
i
f
HUGE_VAL != infin
i
t
y
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
R
oland Schulz
Adding s
u
p
p
o
rt for
Windows build
a
n
d di
f
ferent
C
M
a
k
e
.
.
.
commit
|
commitdiff
|
tree
2011-11-30
Roland
S
c
h
ulz
Ad
d
in
g
Gerrit
Build description
commit
|
commitdiff
|
tree
2011-11-30
Roland Sch
u
lz
Removing TestBuildAll test
commit
|
commitdiff
|
tree
2011-11-28
Roland Schulz
Fix FFTW
A
PI usage
commit
|
commitdiff
|
tree
2011-11-27
Roland Schulz
Merge
"
Initialize variables
t
o m
a
ke GCC 4
.
6
n
ot complain
.
.
.
commit
|
commitdiff
|
tree
2011-11-24
Rol
a
nd Schulz
Ini
t
i
alize
variabl
e
s to make GCC 4
.
6 not c
o
mp
l
ain
commit
|
commitdiff
|
tree
2011-11-24
R
oland Schulz
Me
r
g
e "Fi
x
e
d
g_angle -
f
-or to copy times from -f t
o
.
.
.
commit
|
commitdiff
|
tree
2011-10-14
Roland Sch
u
lz
call to g
m
x_mto
p
_g
e
nerate_local_top is o
n
ly requ
i
red
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Roland Sch
u
lz
Merge "fi
x
ed gr
o
mpp issue with decoupling a
n
d virtual
.
.
.
commit
|
commitdiff
|
tree
2011-08-23
Rola
n
d Sch
u
lz
Me
r
ge "F
i
xed g_di
s
r
e
dereferencing cr
"
into
r
elease
.
.
.
commit
|
commitdiff
|
tree
2011-08-23
R
o
land Schulz
Me
r
ge "Typo fix"
into relea
s
e-4-
5
-patches
commit
|
commitdiff
|
tree
2011-08-23
R
oland
S
c
hulz
Merge "fixed
o
p
eration on closed f
i
le
s
tructure in
.
.
.
commit
|
commitdiff
|
tree
2011-08-23
Rol
a
nd
S
chu
l
z
Merge "fixed possible
infi
n
ite loop when
r
eadin
g
atom
.
.
.
commit
|
commitdiff
|
tree
2011-08-11
Roland Schul
z
Merge
"
removed npme
n
od
e
s misma
t
c
h w
a
rning in read_check
p
oint
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
Roland Sc
h
ulz
Make sure that ftell works cor
r
ect
l
y fo
r
fil
e
s opened
.
.
.
commit
|
commitdiff
|
tree
2011-05-15
Rol
a
nd Schulz
corrected typo:
i
f
(
errno=E
I
NVAL)
commit
|
commitdiff
|
tree
2011-02-04
Roland Schulz
usi
n
g s
e
t
_mm_ps to m
a
ke pgi happy
commit
|
commitdiff
|
tree
2010-11-08
Roland Schulz
making error message
f
or vmdio
clear
e
r (bug 598)
commit
|
commitdiff
|
tree
2010-11-04
Roland Schu
l
z
pri
n
t more
i
n
f
ormati
o
n in case of lock
e
rror
commit
|
commitdiff
|
tree
2010-10-13
R
o
land Schulz
make sure that
the M
A
N
PATH is not set to only
GMXMANPATH
commit
|
commitdiff
|
tree
2010-10-11
Roland
Sch
u
lz
fixe
d
spel
l
i
ng
commit
|
commitdiff
|
tree
2010-10-08
Roland Schu
l
z
fix
e
d lockin
g
of log fi
l
e - bro
k
en
by d750b9ce
commit
|
commitdiff
|
tree
2010-10-07
Rola
n
d
S
c
hulz
adde
d
a
comment about assumptions o
f
aligned memory
commit
|
commitdiff
|
tree
2010-10-04
Roland Schul
z
f
ix broken check
for dlopen (by Ch
r
istoph Junghans
.
.
.
commit
|
commitdiff
|
tree
2010-10-01
Roland Sch
u
l
z
f
i
x FFTW3
i
nterface for non aligne
d
mem
o
ry
commit
|
commitdiff
|
tree
2010-09-30
R
o
land Schulz
mad
e
vmdio work wit
h
older
a
pi v
e
r
sion (e
.
g
.
vmd 1
.
.
.
commit
|
commitdiff
|
tree
2010-09-27
Roland
S
ch
u
lz
includ
e
"er
r
or
.
h" was not n
e
ccessa
r
y a
n
d caused pro
b
le
m
s
.
.
.
commit
|
commitdiff
|
tree
2010-09-26
Roland Schulz
1) gmx_fio_seek wa
s
not returning cor
r
ect return v
a
lue
.
.
.
commit
|
commitdiff
|
tree
2010-09-23
Roland Schulz
v
m
d
io rea
d
the box b
u
t
didn'
t
mark it as
b
eeing r
e
ad
.
.
.
commit
|
commitdiff
|
tree
2010-09-19
R
oland
S
chulz
f
i
xe
d
box
v
e
c
tor r
e
ad in vmd
i
o
commit
|
commitdiff
|
tree
2010-08-26
Roland Schulz
Revert "Parenthes
i
s around compar
i
s
ons and n
o
<= or
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Roland Schu
l
z
fix logic to convert
G
MX_I
N
TEGER_BIG
_
ENDIAN to ARC
H
_IS_BIG_E
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Rolan
d
S
chulz
Pa
r
enthe
s
is around comp
a
risons and no <= or >= f
o
r xlc
commit
|
commitdiff
|
tree
2010-08-17
R
oland Schulz
Use always
DIR_SEPARAT
O
R
commit
|
commitdiff
|
tree
2010-08-17
Rol
a
nd Sc
h
ulz
Fix two Window
s
f
u
t
il bugs:
commit
|
commitdiff
|
tree
2010-08-17
Roland
Schulz
fixed
spelling mistake introduce
d
b
y
303
d
4
543
commit
|
commitdiff
|
tree
2010-08-06
Roland S
c
hulz
Merge branc
h
'release-4-5-patches'
o
f ssh:
/
/gi
t
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-06
R
oland Schulz
cl
e
anup:
G
MX_CG_INNERLO
O
P isn't used anym
o
re
commit
|
commitdiff
|
tree
2010-08-01
Roland S
c
h
u
l
z
i
n
cl
u
de sys/types
before regex for broken regex
.
h
commit
|
commitdiff
|
tree
2010-08-01
Roland Schu
l
z
fix spelling etc
e
pc
commit
|
commitdiff
|
tree
2010-08-01
Roland Schulz
added
m
i
s
sing initi
a
lization
commit
|
commitdiff
|
tree
2010-07-28
Roland Schulz
Added ba
c
k HAVE_IO_H
.
Deleted by Erik's ac6
f
6dbf
commit
|
commitdiff
|
tree
2010-07-03
Ro
l
and
Sc
h
ulz
runtime is only available on PP master
(
simmaster)
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
Roland Sc
h
u
l
z
intializing structs (to a
v
oid v
a
lgrind erro
r
m
essages
)
commit
|
commitdiff
|
tree
2010-07-02
Roland Schulz
Initialize
FFT data
.
S
o that Va
l
g
rind does
n
't comp
l
ain
commit
|
commitdiff
|
tree
2010-05-11
R
oland Schulz
und
o
(
accidential) change t
o
FFTW_P
A
TIENT
commit
|
commitdiff
|
tree
2010-05-11
R
o
land S
c
hulz
us
i
ng st
a
ndard GM
X
names for real/compl
e
x
commit
|
commitdiff
|
tree
2010-05-10
Roland Sc
h
ulz
fixed return for gmx_fft_many_1d*
commit
|
commitdiff
|
tree
2010-05-10
R
ol
a
n
d Schu
l
z
Merge branch 'ma
s
ter' of
git
@
git
.
g
r
o
m
acs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-10
R
oland Schulz
igno
r
e Eclipse
project files
commit
|
commitdiff
|
tree
2010-05-10
R
o
land Schulz
always define MPI_Comm, MPI_Request, MPI
_
Gro
u
p to avoid
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Rolan
d
Schulz
use gmx
_
allo
c
_aligned
f
or
f
ft
data
commit
|
commitdiff
|
tree
2010-03-16
Rola
n
d Schu
l
z
Compiles now in serial
commit
|
commitdiff
|
tree
2010-03-16
Roland Schulz
+ Removed all FFTW d
e
pendencies o
f
FFT5D
commit
|
commitdiff
|
tree
2010-03-16
Rola
n
d S
c
hu
l
z
calli
n
g
g
m
x
_fft for
1
D FF
T
s ins
t
e
a
d
o
f
d
i
rectl
y
calling
.
.
.
commit
|
commitdiff
|
tree
2010-03-15
Roland Schulz
directly call
f
ftw for
s
e
rial
ca
s
e
commit
|
commitdiff
|
tree
2010-03-15
Rolan
d
Sc
h
ulz
removed m
e
mcpy f
o
r both no-MPI
a
n
d
1D
deco
m
position
commit
|
commitdiff
|
tree
2010-03-08
Roland Schulz
c++ fixes
commit
|
commitdiff
|
tree
2010-03-08
Roland Schu
l
z
checking
w
h
e
th
e
r dl
o
pen is working
w
ith static library
.
.
.
commit
|
commitdiff
|
tree
2010-03-07
Roland
S
c
hulz
Mer
g
e branch 'm
a
s
ter' of gi
t
@git
.
g
r
omacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-03-02
Rola
n
d
Schulz
Merge br
a
nch 'relea
s
e-4-0
-
patches'
commit
|
commitdiff
|
tree
2010-02-25
Rola
n
d
S
chulz
er
r
or messag
e
for -fi
t
rot+tran
s
-pbc
commit
|
commitdiff
|
tree
2010-02-25
R
oland Schu
l
z
error messa
g
e for
-fit
rot
+
tra
n
s -
p
bc
commit
|
commitdiff
|
tree
2010-02-08
R
o
l
and Sc
h
ulz
fix to FLT
_
EPSILON
commit
|
commitdiff
|
tree
2010-02-08
Rolan
d
Schulz
M
e
rge branch '2
d
pme' of git@git
.
gromacs
.
org:groma
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-02-08
Roland Schulz
fixed C89 erros
,
FLT_EPSILON (thanks Peter)
commit
|
commitdiff
|
tree
2010-01-18
Roland Schul
z
corrected: ope
n
ing bina
r
y fil
e
with
r
b+
instead of r
+
commit
|
commitdiff
|
tree
2010-01-17
Ro
l
an
d
S
c
hulz
s
mall fix fo
r
u
s
ing with fftw tr
a
nspose
commit
|
commitdiff
|
tree
2010-01-14
R
oland Schul
z
M
e
rg
e
b
r
anch '2dpme' of
g
i
t@
g
i
t
.
gro
m
a
c
s
.
org:g
r
oma
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-01-14
Roland Schulz
updated com
m
ents
commit
|
commitdiff
|
tree
2010-01-14
Rola
n
d
Schul
z
reduced co
m
munication
and FFT to amou
n
t required
commit
|
commitdiff
|
tree
2010-01-13
Ro
l
and Sch
u
lz
Merge bra
n
ch '
t
mp'
in
t
o 2dpme
commit
|
commitdiff
|
tree
2010-01-13
Roland Sch
u
lz
improved debugging ou
t
put
commit
|
commitdiff
|
tree
2010-01-12
Roland Schulz
updated a
co
m
ment to re
f
l
e
c
t
a earlier change
commit
|
commitdiff
|
tree
2010-01-07
Roland Schulz
fix
e
d a
bug in
f
f
t5d only
effecting ex
t
e
rnal tes
t
programs
commit
|
commitdiff
|
tree
2010-01-07
Roland Schulz
made evendist compi
l
e time option also in fft5d
commit
|
commitdiff
|
tree
2010-01-07
R
oland
S
chulz
Merge b
r
anch
'2
d
pme' of g
i
t@git
.
groma
c
s
.
o
rg:
g
romacs
.
.
.
commit
|
commitdiff
|
tree
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