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Merge release-4-6 into release-5-0
2014-06-26
Roland Schulz
M
e
rge release-4-6
i
n
to re
l
eas
e
-5-0
commit
|
commitdiff
|
tree
2014-06-19
Roland S
c
hulz
Disable
may
b
e-uninitialized w
a
rning
commit
|
commitdiff
|
tree
2014-06-18
R
o
lan
d
S
c
hulz
A
d
d ASAN build configuration
commit
|
commitdiff
|
tree
2014-06-13
Ro
l
and Schulz
M
ake nbnxn
t
emplat
e
and gene
r
ated files
match
commit
|
commitdiff
|
tree
2014-05-27
Roland Schulz
Merge releas
e
-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-05-22
Rola
n
d
Sch
u
lz
Fix mem
o
ry
i
s
s
u
e in solvate
commit
|
commitdiff
|
tree
2014-05-10
Roland Schulz
Me
r
ge
release-4-6 into rel
e
a
se-5
-
0
commit
|
commitdiff
|
tree
2014-05-09
R
o
l
a
nd Schulz
Fix comparison of array to
N
ULL
commit
|
commitdiff
|
tree
2014-05-09
Roland Schulz
Merg
e
"Mer
g
e branch releas
e
-4-
6
into release-5-0
"
into
.
.
.
commit
|
commitdiff
|
tree
2014-05-09
Roland S
c
hulz
Fi
x
Ope
n
MP sc
o
pe e
r
ro
r
commit
|
commitdiff
|
tree
2014-05-09
Roland Schulz
Fix OpenMP unp
r
oteced update bu
g
commit
|
commitdiff
|
tree
2014-04-30
Roland Schulz
Fix usage of gmx
_
eof
commit
|
commitdiff
|
tree
2014-04-22
Roland Sc
h
ulz
Fi
x
me
m
or
y
error in as
c
forma
t
IO
commit
|
commitdiff
|
tree
2014-04-16
Roland Sc
h
ulz
Fix
w
hitespace
commit
|
commitdiff
|
tree
2014-04-14
R
oland Schulz
Improve language
c
h
o
i
c
e
commit
|
commitdiff
|
tree
2014-04-02
Roland Schulz
Add d
o
c for spec
.
valu
e
s
o
f GMX_MAXB
A
C
KU
P
commit
|
commitdiff
|
tree
2014-03-31
Ro
l
and Schulz
Disable
s
hared lib
r
aries by def
a
ult for md
r
un-only
commit
|
commitdiff
|
tree
2014-03-18
Roland Schulz
Fi
x
depe
n
denci
e
s
o
n
co
n
fig
.
h
fo
r
t
yp
e
defs
.
h
commit
|
commitdiff
|
tree
2014-03-11
Ro
l
a
nd Sch
u
lz
S
i
m
p
li
f
y
gmxTestLib
X
m
l
2
commit
|
commitdiff
|
tree
2014-03-11
Rola
n
d Schulz
Do
n
't disable
MSVC
warnin
g
s
i
n config
.
h
commit
|
commitdiff
|
tree
2014-03-11
R
ola
n
d Schulz
Fix CheckCXXCompil
e
rFla
g
commit
|
commitdiff
|
tree
2014-03-11
R
oland S
c
hulz
Repla
c
e inline with gmx
_
i
nline
commit
|
commitdiff
|
tree
2014-03-06
Roland
S
chulz
Remove KERNEL_WIDTH
commit
|
commitdiff
|
tree
2014-03-06
Roland Schulz
Use
gm
x
_in
t
6
4_t for
gmx_off_t
commit
|
commitdiff
|
tree
2014-03-05
Roland S
c
hulz
A
d
d
RelWithAssert build type
commit
|
commitdiff
|
tree
2014-03-05
Rol
a
nd Sch
u
lz
Remove dependency on TNG in trxio
.
h
commit
|
commitdiff
|
tree
2014-03-05
Roland
Schulz
Repor
t
MIC SIMD correctly
commit
|
commitdiff
|
tree
2014-03-05
R
oland Schulz
Che
c
k zlib can actual
l
y be link
e
d
commit
|
commitdiff
|
tree
2014-03-05
Roland
Schulz
Avo
i
d
segfault when comparing tp
r
commit
|
commitdiff
|
tree
2014-03-03
Roland Schul
z
Mer
g
e
r
e
l
e
a
s
e-4-6
i
n
to master
commit
|
commitdiff
|
tree
2014-02-26
Roland
Schulz
R
emove Cyg
w
in+MingW
f
r
om inst
a
llguide
commit
|
commitdiff
|
tree
2014-02-26
Rolan
d
Schulz
ICC aliasing optimization flag
s
commit
|
commitdiff
|
tree
2014-02-26
Rola
n
d Schulz
Use reduc
e
i
n
pme
commit
|
commitdiff
|
tree
2014-02-26
Rola
n
d Schulz
R
e
place al
l
md
r
un rn
g
s
w
ith cycle based rng
commit
|
commitdiff
|
tree
2014-02-21
Ro
l
a
n
d Schu
l
z
Fix load_lj_pair_p
a
rams
2
f
or MIC
commit
|
commitdiff
|
tree
2014-02-21
R
oland Schu
l
z
Upd
a
ted Bo
o
st to
l
atest 1
.
5
5
.
0
commit
|
commitdiff
|
tree
2014-02-21
Rolan
d
Sc
h
ulz
Merge "Me
r
ge rel
e
ase-4
-
6 into m
a
ster"
commit
|
commitdiff
|
tree
2014-02-21
Roland Schul
z
Merge release-4-6 into mast
e
r
commit
|
commitdiff
|
tree
2014-02-20
Rol
a
nd
S
c
hulz
F
i
x aligned store to unalig
n
ed me
m
o
ry
commit
|
commitdiff
|
tree
2014-02-20
Roland S
c
hulz
F
ix Refer
e
nce Build
commit
|
commitdiff
|
tree
2014-02-17
R
o
l
a
nd S
c
hu
l
z
Enable more warnings
commit
|
commitdiff
|
tree
2014-02-06
Rolan
d
Schu
l
z
Use r
a
ndom seeds by
d
ef
a
u
lt
commit
|
commitdiff
|
tree
2014-02-04
Rola
n
d Schulz
F
i
x and simplify
r
path
commit
|
commitdiff
|
tree
2014-02-02
Rol
a
nd Schulz
Merge releas
e
-4
-
6 into maste
r
commit
|
commitdiff
|
tree
2014-01-30
Roland Schul
z
Add
c
m
ake opt
i
on for Refe
r
enc
e
kern
e
l
commit
|
commitdiff
|
tree
2014-01-30
Ro
l
a
n
d Schulz
Al
l
oca
t
e memory for MD
5
on hea
p
commit
|
commitdiff
|
tree
2014-01-29
Roland Schulz
Uncr
u
st
i
fy all files
commit
|
commitdiff
|
tree
2014-01-21
Roland Schulz
Fix ra
c
e co
n
ditions
commit
|
commitdiff
|
tree
2014-01-19
Roland Schulz
Fix that
check_library_exist is rerun for
FFTW
commit
|
commitdiff
|
tree
2014-01-17
Ro
l
a
nd Sc
h
ulz
Define MPI_INT64_T if
n
ot defined b
y
mpi
commit
|
commitdiff
|
tree
2014-01-15
Roland
S
chulz
Add nbnxn tree fo
r
ce reduct
i
on
commit
|
commitdiff
|
tree
2014-01-09
Ro
l
and S
c
hulz
Merg
e
release-4-6 into master
commit
|
commitdiff
|
tree
2014-01-09
Roland Sc
h
u
lz
Add
S
IMD support for Intel
M
IC
commit
|
commitdiff
|
tree
2014-01-09
Rol
a
nd Sch
u
l
z
Re
m
ove
r
e
implimenta
t
ion of tw
o
functions
commit
|
commitdiff
|
tree
2014-01-09
Ro
l
and Schulz
Remove
rema
i
ning
u
sage
o
f
SIZ
E
OF*
commit
|
commitdiff
|
tree
2014-01-09
Ro
l
and Sch
u
lz
Remove
s
ome usage o
f
SIZEOF*
commit
|
commitdiff
|
tree
2014-01-01
R
oland Schu
l
z
Merge rel
e
ase-4-6 into maste
r
commit
|
commitdiff
|
tree
2013-12-24
Ro
l
and Schulz
R
ename remaining large_int t
o
int
6
4
commit
|
commitdiff
|
tree
2013-12-23
Roland Schulz
Replace gmx_large_int_t with gmx_int64_t
commit
|
commitdiff
|
tree
2013-12-08
Roland Schulz
Avo
i
d
b
uil
d
error if CFLAGS c
o
ntain quotes
commit
|
commitdiff
|
tree
2013-12-02
R
o
land
Schulz
Merge "Merge b
r
anch 'release-
4
-6'"
commit
|
commitdiff
|
tree
2013-12-02
R
o
land Schulz
Replac
e
SUM_SIMD with gmx_
s
um_s
i
md
commit
|
commitdiff
|
tree
2013-11-12
R
o
land
Schulz
Added rota
t
ion t
o
the tes
t
s run by ctes
t
commit
|
commitdiff
|
tree
2013-10-30
Rola
n
d Schulz
Fix build with GMX_CYCLE_SUBCOUNTERS
commit
|
commitdiff
|
tree
2013-10-30
R
o
l
a
nd Schulz
Merg
e
r
elease-4-6 into master
commit
|
commitdiff
|
tree
2013-10-26
Roland S
c
hulz
Fix NBNxN SIMD reference kernels
commit
|
commitdiff
|
tree
2013-10-18
Rol
a
nd
Schu
l
z
Fi
x
tMPI_Atom
i
c_memor
y
_barrie
r
for MIC
commit
|
commitdiff
|
tree
2013-10-17
R
o
land S
c
hulz
F
i
x SIMD
C
reference nb
n
xn ke
r
ne
l
s
commit
|
commitdiff
|
tree
2013-07-24
Roland
S
chulz
Mer
g
e
"Me
r
ge branch release-4-6
i
nto master"
commit
|
commitdiff
|
tree
2013-06-27
Roland S
c
hulz
Merge
b
ra
n
ch 'release-4-6'
int
o
m
aster
commit
|
commitdiff
|
tree
2013-06-27
Roland Schulz
Merge branc
h
'r
e
lease-4-6' into master
commit
|
commitdiff
|
tree
2013-06-26
Roland Sc
h
ulz
Remove hack to suppor
t
old version tpr
v
e
r
sion 80
commit
|
commitdiff
|
tree
2013-05-21
Rolan
d
Schulz
M
erge relea
s
e-4-6
into mast
e
r
commit
|
commitdiff
|
tree
2013-03-26
Ro
l
a
n
d Schul
z
Merge release-
4
-5-patc
h
es into
rel
e
a
s
e-4-6
commit
|
commitdiff
|
tree
2013-03-22
Roland Schu
l
z
Fix problems w
i
t
h in
t
el-m
p
i
commit
|
commitdiff
|
tree
2013-03-20
Rola
n
d
Schulz
Merge releas
e
-4-6 into mast
e
r
commit
|
commitdiff
|
tree
2013-03-06
Roland
Sch
u
lz
M
erge "fixed PME t
i
m
e
print with -ntomp_pme
!
= -nt
o
mp
.
.
.
commit
|
commitdiff
|
tree
2013-03-05
Roland Schulz
Fixes linkage
w
ith FFTW +
M
K
L
f
or BLAS/LAPACK
commit
|
commitdiff
|
tree
2013-02-26
Rol
a
nd Schulz
Merge re
l
ease-4-6 into mas
t
er
commit
|
commitdiff
|
tree
2013-02-18
Roland S
c
hulz
I
s
sue errors/warnings for ICC before 12
.
0
.
0
commit
|
commitdiff
|
tree
2013-02-16
Roland Schulz
Add missing include
commit
|
commitdiff
|
tree
2013-02-13
Roland Schulz
Merg
e
"Fixed
t
he MPI rec
o
gnitio
n
string i
n
g_tune_pme
.
.
.
commit
|
commitdiff
|
tree
2013-02-13
Rolan
d
Schu
l
z
Mer
g
e "
i
mprove setup o
f
mul
t
i
p
l
e tf
tables" into release-4-6
commit
|
commitdiff
|
tree
2013-02-13
Rol
a
nd Schulz
Merge release-4-6 into master
commit
|
commitdiff
|
tree
2013-02-13
Roland Schulz
Merge release-4-6 into master
commit
|
commitdiff
|
tree
2013-02-13
R
ol
a
n
d Schulz
Code beautification with uncrustify
commit
|
commitdiff
|
tree
2013-02-13
Ro
l
and Schulz
Merge "Updated FindGSL
.
cmake to versi
o
n w
r
itten b
y
.
.
.
commit
|
commitdiff
|
tree
2013-02-09
Ro
l
and Schulz
Merge "Typo fix" into release-4-6
commit
|
commitdiff
|
tree
2013-02-08
Ro
l
and Sch
u
lz
Fix
C
UDA_HOST_COMPILER flag n
a
me
commit
|
commitdiff
|
tree
2013-02-08
R
o
land Sch
u
lz
Remove duplicated clang secti
o
n
commit
|
commitdiff
|
tree
2013-02-08
Roland
Schulz
Re
m
o
v
e dummy
.
cpp
commit
|
commitdiff
|
tree
2013-01-30
R
olan
d
Schu
l
z
Fix
g
mxche
c
k
tar
g
et
commit
|
commitdiff
|
tree
2013-01-22
Roland Schulz
Illeg
a
l acceleration def
a
ulted
t
o QPX
commit
|
commitdiff
|
tree
2013-01-22
Roland S
c
hulz
Fix TOUPPER
usage
commit
|
commitdiff
|
tree
2013-01-22
R
olan
d
Schulz
Updated htm
l
manual to
4
.
6
commit
|
commitdiff
|
tree
2013-01-21
Ro
l
a
nd Schulz
M
e
rge relea
s
e
-4-6 i
n
to master
commit
|
commitdiff
|
tree
2013-01-20
Rol
a
nd
S
ch
u
lz
Merge releas
e
-4-6 into
master
commit
|
commitdiff
|
tree
2013-01-19
Ro
l
and Schulz
Fix A
V
X doubl
e
compile error
commit
|
commitdiff
|
tree
2013-01-19
Roland
S
chulz
Add fftp
a
c
k to
EXTRA_DI
S
T
commit
|
commitdiff
|
tree
2013-01-19
Rol
a
nd Schul
z
Release 4
.
5
.
6
commit
|
commitdiff
|
tree
next