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Fix that directory is not mistaken for binary
2012-04-11
Roland Schulz
Fix
t
hat directory is
n
o
t
m
i
s
t
aken for binary
commit
|
commitdiff
|
tree
2012-04-06
Roland
S
c
hulz
Fi
x
doma
i
n
d
ecomposition setup
fo
r
>46k cores
commit
|
commitdiff
|
tree
2012-03-10
R
o
land
S
chulz
Fix typo in Clang
CFl
a
gs
commit
|
commitdiff
|
tree
2012-03-04
Rola
n
d
S
c
h
ulz
Minimal support
f
or Cla
n
g
commit
|
commitdiff
|
tree
2012-02-21
Roland Schulz
Use Git server (mirror) to a
v
oid fetch
i
ng p
r
oblems
commit
|
commitdiff
|
tree
2012-02-05
Rol
a
nd Schulz
Fix ICC on Windows B
u
i
l
d
commit
|
commitdiff
|
tree
2012-02-01
M
a
rk
A
braham
Fixed error messa
g
e to identify
the corr
e
ct file
commit
|
commitdiff
|
tree
2012-01-31
R
o
l
and Sc
h
u
lz
Append all
ICC
P
e
rformance
fla
g
s
only t
o
Relea
s
e Flags
commit
|
commitdiff
|
tree
2012-01-31
Roland Sch
u
l
z
F
i
x
signed/unsigned warnings
commit
|
commitdiff
|
tree
2012-01-18
Roland Schu
l
z
Ne
w
a
p
p
r
oach f
o
r G
e
r
r
itBui
l
d script
commit
|
commitdiff
|
tree
2011-12-15
Roland Schulz
Us
i
ng
M
inSizeRel co
n
figuration and Release target on
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
Roland Schulz
T
e
sti
n
g exter
n
al BLAS/LAPACK
commit
|
commitdiff
|
tree
2011-12-15
Roland Schu
l
z
Using
2 c
o
res per
build
on Windows
commit
|
commitdiff
|
tree
2011-12-11
Roland Sc
h
ul
z
Set -DMPI
on
l
y if compiled for FAH
commit
|
commitdiff
|
tree
2011-12-11
Roland Schulz
Fixing MSVC unsi
g
ned
/
signed w
a
rnings
commit
|
commitdiff
|
tree
2011-12-10
Roland Schulz
Run t
e
st
s
a
l
so o
n
Win
d
ows
commit
|
commitdiff
|
tree
2011-12-09
Ro
l
an
d
S
c
hulz
Only check those atoms
f
or
P
BC which
a
r
e
part o
f
selection
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
Roland Schu
l
z
Adding support for Wi
n
dows
build and dif
f
erent CMake
.
.
.
commit
|
commitdiff
|
tree
2011-11-30
Ro
l
and Schul
z
Add
i
ng Gerrit
B
u
i
ld d
e
script
i
on
commit
|
commitdiff
|
tree
2011-11-30
Roland Schul
z
Removi
n
g T
e
stBuildA
l
l
test
commit
|
commitdiff
|
tree
2011-11-28
Roland Schulz
Fix FF
T
W API usage
commit
|
commitdiff
|
tree
2011-11-24
Roland Schulz
In
i
tialize variables to ma
k
e GCC 4
.
6
not compla
i
n
commit
|
commitdiff
|
tree
2011-11-24
M
a
rk Abraham
Only anal
y
se angle transitions for dihedral angles
commit
|
commitdiff
|
tree
2011-11-24
Ma
r
k Abrah
a
m
A
dded protect
i
v
e
preprocessor d
i
recti
v
es
commit
|
commitdiff
|
tree
2011-10-14
R
ol
a
nd S
c
hulz
call to gmx_m
t
op_
g
enerate_local_top is only r
e
quired
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
Roland Schulz
Make sure that ftel
l
works correc
t
ly for files ope
n
ed
.
.
.
commit
|
commitdiff
|
tree
2011-05-15
Roland
S
chulz
co
r
r
e
cte
d
typ
o
: if(er
r
no=EINVAL)
commit
|
commitdiff
|
tree
2010-11-08
Roland Schulz
making e
r
ror message for vmdio clearer (bug 598)
commit
|
commitdiff
|
tree
2010-11-04
Roland Schulz
print m
o
r
e
i
nformat
i
on
i
n
case
of lo
c
k
e
rr
o
r
commit
|
commitdiff
|
tree
2010-10-13
Roland Schulz
make sure
t
h
a
t t
h
e
M
ANPATH
i
s not set
to on
l
y GMX
M
ANPATH
commit
|
commitdiff
|
tree
2010-10-11
Roland Schulz
fixed spelling
commit
|
commitdiff
|
tree
2010-10-08
R
o
land Schulz
fixed locking of log file - broken by d750b9ce
commit
|
commitdiff
|
tree
2010-10-07
Roland Schulz
added
a
comm
e
nt about as
s
u
mptions of aligne
d
memory
commit
|
commitdiff
|
tree
2010-10-04
R
oland S
c
hulz
fix broken check for dlopen (by Christo
p
h Junghans
.
.
.
commit
|
commitdiff
|
tree
2010-10-01
Roland Schul
z
fix FFTW3 inte
r
face
f
or non a
l
igned memo
r
y
commit
|
commitdiff
|
tree
2010-09-27
R
ol
a
nd
Schulz
include "err
o
r
.
h
" was not ne
c
c
essary and caused pro
b
lem
s
.
.
.
commit
|
commitdiff
|
tree
2010-09-26
Rol
a
nd Sch
u
lz
1) gmx_
f
io_seek w
a
s not retur
n
ing correct return value
.
.
.
commit
|
commitdiff
|
tree
2010-09-19
Rolan
d
S
c
hulz
fixed box vector rea
d
in
v
mdi
o
commit
|
commitdiff
|
tree
2010-08-26
Roland
S
chulz
Revert "
P
ar
e
n
the
s
i
s around comparisons and no <
=
or
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
R
o
land Schulz
f
i
x logic
to c
o
nvert GMX_INTEG
E
R_
B
IG_EN
D
IA
N
t
o ARCH_IS_BIG
_
E
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
R
o
lan
d
Schulz
Parenthesis around comparisons and no <= or >= for xlc
commit
|
commitdiff
|
tree
2010-08-17
R
o
land Schulz
Use alway
s
DIR_
S
EP
A
R
A
TOR
commit
|
commitdiff
|
tree
2010-08-17
Roland S
c
hulz
Fi
x
t
wo W
i
ndows
fut
i
l
b
ugs:
commit
|
commitdiff
|
tree
2010-08-17
R
o
la
n
d Sch
u
lz
fixed spelling mistake int
r
oduced b
y
3
03d4543
commit
|
commitdiff
|
tree
2010-08-01
Roland
S
chulz
inc
l
ude sys/t
y
pes before regex f
o
r
broken reg
e
x
.
h
commit
|
commitdiff
|
tree
2010-08-01
Roland Schulz
fix spelling etc
epc
commit
|
commitdiff
|
tree
2010-08-01
R
olan
d
Schulz
added
m
i
s
s
ing initia
l
ization
commit
|
commitdiff
|
tree