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Use stat to check that paths are equivalent
2015-06-06
Ro
l
and
S
ch
u
lz
Use
sta
t
t
o
check that paths ar
e
eq
u
ivalent
commit
|
commitdiff
|
tree
2015-05-30
Roland Schulz
W
ork-around for ICC
1
5 on Phi
commit
|
commitdiff
|
tree
2015-05-26
Roland Schulz
Don't set CFLAGS f
o
r Phi in
too
l
chai
n
commit
|
commitdiff
|
tree
2015-05-13
Roland Sch
u
lz
Facilit
a
te linking of static binaries
commit
|
commitdiff
|
tree
2015-03-17
Roland Schulz
Fix linking
w
ith static l
i
bxml2
commit
|
commitdiff
|
tree
2015-02-12
Roland Schulz
Merge rel
e
ase-
4
-6 into release
-
5
-
0
commit
|
commitdiff
|
tree
2014-12-18
Roland Schul
z
Fix CM
P
0054 cmake
3
.
1
.
0 warn
i
ng
s
commit
|
commitdiff
|
tree
2014-11-26
Rolan
d
Schulz
Fix c
l
ang with boost 1
.
46
.
1
and 1
.
4
7
commit
|
commitdiff
|
tree
2014-11-09
Roland Schulz
Backport
v
al
g
rind suppression
commit
|
commitdiff
|
tree
2014-09-29
Rolan
d
Schulz
Clarify GCC+Win+AVX w
a
rning
commit
|
commitdiff
|
tree
2014-09-29
Ro
l
and Schulz
M
erge release-4-6 into release-5
-
0
commit
|
commitdiff
|
tree
2014-09-22
Rola
n
d Schulz
F
i
x m
e
s
sage a
b
out
incor
r
ect usage
o
f
d
ihedral ty
p
e 9
commit
|
commitdiff
|
tree
2014-09-18
R
oland Schulz
Fix double
l
inkage for te
s
t
s
commit
|
commitdiff
|
tree
2014-09-17
Roland
S
chul
z
Ad
d
missing qu
o
tes
commit
|
commitdiff
|
tree
2014-09-17
Rol
a
nd Schulz
Fix
s
hared libs f
o
r Mingw
commit
|
commitdiff
|
tree
2014-09-17
Roland Schu
l
z
Remove no-inl
i
ne-max-siz
e
and suppress remark
commit
|
commitdiff
|
tree
2014-09-17
Ro
l
and Schulz
V
a
lgrin
d
suppression f
o
r
OS X 10
.
9
commit
|
commitdiff
|
tree
2014-09-16
R
oland Schulz
Fix warning
s
for
ICC 15
commit
|
commitdiff
|
tree
2014-09-05
Roland Sc
h
ulz
Fix buil
d
for external
boost
1
.
5
6
.
0
commit
|
commitdiff
|
tree
2014-09-04
Roland Schulz
Add Mingw wa
r
n
ing
s
commit
|
commitdiff
|
tree
2014-09-03
Roland
Schulz
F
ix
M
ing
W
build
commit
|
commitdiff
|
tree
2014-09-03
R
oland Schulz
Fix tha
t
TNG tes
t
s were not ru
n
commit
|
commitdiff
|
tree
2014-09-02
R
o
l
and Schulz
Fix PRINT
_
ALLOC_KB
output
commit
|
commitdiff
|
tree
2014-08-20
Rol
a
nd Schulz
Change e
r
ror to warning
for mis
s
ing OMP_NUM_T
H
RE
A
DS
commit
|
commitdiff
|
tree
2014-08-18
Roland Schulz
Add I
n
t
e
l
co
m
mand line warning
commit
|
commitdiff
|
tree
2014-08-17
Roland
S
chulz
D
o
n't build tests un
t
il
they are ru
n
commit
|
commitdiff
|
tree
2014-08-10
Rola
n
d Schulz
Check MD5sum for regres
s
iontest
commit
|
commitdiff
|
tree
2014-08-10
Rolan
d
Schulz
Merge re
l
e
a
se-4-6
i
nto release-5-0
commit
|
commitdiff
|
tree
2014-08-05
Roland Schu
l
z
Workaround for
I
CC 14
commit
|
commitdiff
|
tree
2014-07-28
R
oland Schulz
F
i
x
build
o
f
b
inary package
commit
|
commitdiff
|
tree
2014-07-28
Roland
Schulz
Add unit test for random/Thr
e
efry
commit
|
commitdiff
|
tree
2014-07-28
Roland Schulz
Remove Ra
n
dom123
/
fe
a
tures
commit
|
commitdiff
|
tree
2014-07-25
R
o
land Sc
h
ulz
Workaround for ICC 14 bug
commit
|
commitdiff
|
tree
2014-07-24
Rol
a
nd S
c
hu
l
z
Fix Cy
g
win+S
h
ared-
L
ibs+FFTW
commit
|
commitdiff
|
tree
2014-07-23
Rola
n
d Schulz
Add
sup
p
ort for int64 in refdata
commit
|
commitdiff
|
tree
2014-07-22
R
ola
n
d
S
chulz
Fix GMX_BU
I
LD_OWN_FFTW for
C
y
gwin
commit
|
commitdiff
|
tree
2014-07-21
Rol
a
nd
S
chulz
Fi
x
GMX_NONBONDED_NUM_T
H
READS
!
=GMX_PAIRSEARCH_NUM_THREADS
commit
|
commitdiff
|
tree
2014-07-10
Roland Sc
h
ulz
Fix xml2 link check rerun
commit
|
commitdiff
|
tree
2014-07-09
Roland Sc
h
ulz
Fix
Cygwin b
u
ild
commit
|
commitdiff
|
tree
2014-07-05
Roland S
c
hul
z
Ad
d
runnin
g
tests to install-
g
uide
commit
|
commitdiff
|
tree
2014-06-29
Roland Schul
z
M
e
rge releas
e
-4-6 into rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-06-29
Roland Schulz
Fix dete
c
tion
of
i
386
i
n tmpi
commit
|
commitdiff
|
tree
2014-06-29
Roland Schulz
Merge
"
Merge b
r
anch 'release-4-6' into relea
s
e-5-0
.
.
.
commit
|
commitdiff
|
tree
2014-06-28
Rol
a
nd Schulz
Fix
e
rror
for no 64bit file support
commit
|
commitdiff
|
tree
2014-06-28
Roland Schulz
Another Ma
c
OSX rpath f
i
x
commit
|
commitdiff
|
tree
2014-06-27
R
ol
a
nd Schulz
Merge release-4-6
into release-5-
0
commit
|
commitdiff
|
tree
2014-06-27
Rola
n
d Schulz
F
ix Phi Pla
t
form
f
ile for MPI
commit
|
commitdiff
|
tree
2014-06-26
R
o
l
and Schulz
Fix Visual
S
tudi
o
Pr
o
ject build
commit
|
commitdiff
|
tree
2014-06-26
Roland Schulz
M
erge relea
s
e-4-6 into rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-06-26
Ro
l
and
S
chulz
Fix MacOSX rpath
commit
|
commitdiff
|
tree
2014-06-20
Roland Schulz
F
i
x that seekin
g
was w
r
ong if fra
m
e
t
ime was m
o
d
i
fied
commit
|
commitdiff
|
tree
2014-06-19
Rol
a
nd Schul
z
Fix
ref error i
n
constraint pull code
commit
|
commitdiff
|
tree
2014-06-19
Ro
l
and S
c
hulz
Disable maybe-un
i
ni
t
ialized warning
commit
|
commitdiff
|
tree
2014-06-18
Roland Schul
z
A
dd
ASAN bui
l
d
configuration
commit
|
commitdiff
|
tree
2014-06-17
R
ol
a
nd Schul
z
Fix that s
k
ipp
i
ng fails i
f
target is 2nd frame
commit
|
commitdiff
|
tree
2014-06-13
R
o
land Schulz
M
ake nbnxn templa
t
e and genera
t
ed files match
commit
|
commitdiff
|
tree
2014-05-27
Roland
S
c
h
ulz
M
er
g
e release-4-6
into rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-05-22
Roland
S
c
hul
z
Fix
m
e
m
ory
i
ssue in sol
v
ate
commit
|
commitdiff
|
tree
2014-05-10
R
o
land
Schulz
Merge release-4-6
i
nto rele
a
se
-
5-0
commit
|
commitdiff
|
tree
2014-05-09
Roland Schu
l
z
Fix
c
o
m
pariso
n
of array to NULL
commit
|
commitdiff
|
tree
2014-05-09
Roland Sch
u
lz
Me
r
ge "
M
erge b
r
a
n
c
h relea
s
e
-
4
-6 into re
l
ease-5-0" into
.
.
.
commit
|
commitdiff
|
tree
2014-05-09
R
oland S
c
hulz
Fix
O
penMP scope err
o
r
commit
|
commitdiff
|
tree
2014-05-09
Roland
Schulz
Fix
O
p
e
nMP u
n
p
r
o
t
eced update
bug
commit
|
commitdiff
|
tree
2014-04-30
Ro
l
an
d
Schulz
F
ix usage of
g
mx_eof
commit
|
commitdiff
|
tree
2014-04-22
Roland Schulz
F
i
x memory e
r
ror
i
n
as
c
format IO
commit
|
commitdiff
|
tree
2014-04-16
Roland Schulz
Fix whites
p
ace
commit
|
commitdiff
|
tree
2014-04-14
R
o
land Schulz
Improve
language c
h
oice
commit
|
commitdiff
|
tree
2014-04-02
Rol
a
nd Schulz
Add doc
for spec
.
value
s
o
f GMX_
M
AXBACKUP
commit
|
commitdiff
|
tree
2014-03-31
Roland Schul
z
Dis
a
ble sha
r
e
d librar
i
e
s
by default for mdrun-only
commit
|
commitdiff
|
tree
2014-03-18
Rola
n
d Sc
h
ulz
Fix dependencies on config
.
h f
o
r typ
e
defs
.
h
commit
|
commitdiff
|
tree
2014-03-11
Ro
l
and Sc
h
ulz
Simpl
i
fy gm
x
TestLibXml2
commit
|
commitdiff
|
tree
2014-03-11
Roland S
c
hulz
D
on't
d
isable MSVC warni
n
gs i
n
config
.
h
commit
|
commitdiff
|
tree
2014-03-11
Roland Schulz
Fix CheckCXXComp
i
lerFlag
commit
|
commitdiff
|
tree
2014-03-11
Roland S
c
hulz
Replace in
l
ine
w
ith gmx_inline
commit
|
commitdiff
|
tree
2014-03-06
Rolan
d
Schulz
R
e
m
ove KERNEL_WIDTH
commit
|
commitdiff
|
tree
2014-03-06
Roland Sch
u
lz
Use gmx_in
t
64_t
for gmx_off_t
commit
|
commitdiff
|
tree
2014-03-05
Roland S
c
h
ulz
A
dd RelWith
A
ssert
build type
commit
|
commitdiff
|
tree
2014-03-05
Ro
l
a
n
d
Schulz
Remove de
p
endency on TNG in
t
rxio
.
h
commit
|
commitdiff
|
tree
2014-03-05
Roland Schulz
Report
MIC SIMD correctly
commit
|
commitdiff
|
tree
2014-03-05
Roland Sch
u
lz
Check zlib can actually be lin
k
e
d
commit
|
commitdiff
|
tree
2014-03-05
Rola
n
d Schulz
Avoid segfau
l
t
when comparing t
p
r
commit
|
commitdiff
|
tree
2014-03-03
Rola
n
d Sch
u
lz
M
er
g
e release-4-6 into ma
s
ter
commit
|
commitdiff
|
tree
2014-02-26
Rola
n
d Schulz
Re
m
ove Cygwin+Min
g
W from installguide
commit
|
commitdiff
|
tree
2014-02-26
Ro
l
and Schulz
ICC alias
i
ng optimization flags
commit
|
commitdiff
|
tree
2014-02-26
Roland Schulz
Use reduce in
pme
commit
|
commitdiff
|
tree
2014-02-26
Roland
S
chulz
Replac
e
all mdrun rngs with cy
c
le ba
s
ed rng
commit
|
commitdiff
|
tree
2014-02-21
R
oland
Schulz
Fi
x
load_lj_pair_par
a
ms2 fo
r
MIC
commit
|
commitdiff
|
tree
2014-02-21
R
oland Schulz
Updated Boost to lates
t
1
.
55
.
0
commit
|
commitdiff
|
tree
2014-02-21
R
oland Schulz
Merge "Merge
r
elease-4-
6
i
nto master"
commit
|
commitdiff
|
tree
2014-02-21
Rol
a
nd S
c
hu
l
z
Merge r
e
lease-4-6 into master
commit
|
commitdiff
|
tree
2014-02-20
Roland Schulz
Fix a
l
igned sto
r
e to unaligne
d
memory
commit
|
commitdiff
|
tree
2014-02-20
Ro
l
a
n
d Sc
h
ulz
Fix Reference Build
commit
|
commitdiff
|
tree
2014-02-17
Roland Schul
z
Enable more warnin
g
s
commit
|
commitdiff
|
tree
2014-02-06
Roland S
c
h
ulz
Us
e
random see
d
s by default
commit
|
commitdiff
|
tree
2014-02-04
Roland Schulz
Fix
a
nd simpl
i
fy rpath
commit
|
commitdiff
|
tree
2014-02-02
R
o
l
a
n
d Schulz
M
e
rge release-4-6 in
t
o master
commit
|
commitdiff
|
tree
2014-01-30
Roland Sch
u
lz
Add cmake opt
i
on for
R
eference
kernel
commit
|
commitdiff
|
tree
2014-01-30
R
o
land Schu
l
z
Al
l
ocat
e
m
e
mory for MD5 on heap
commit
|
commitdiff
|
tree
2014-01-29
Roland
Sch
u
lz
Uncr
u
stify all files
commit
|
commitdiff
|
tree
2014-01-21
Roland
S
chu
l
z
Fix r
a
ce c
o
n
d
itions
commit
|
commitdiff
|
tree
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