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Some overview content for Doxygen documentation.
2013-10-18
Roland Schu
l
z
Fix tMPI_At
o
mic_
m
emo
r
y_barrier fo
r
M
I
C
commit
|
commitdiff
|
tree
2013-10-17
R
o
land Schulz
Fix SI
M
D C refere
n
ce nbnxn kern
e
l
s
commit
|
commitdiff
|
tree
2013-07-24
Rolan
d
Schulz
M
erge "M
e
rge branch release-4-6 into mast
e
r"
commit
|
commitdiff
|
tree
2013-06-27
R
o
land S
c
hu
l
z
Merge branch 'release-4-6' into master
commit
|
commitdiff
|
tree
2013-06-27
R
oland Schulz
Merge br
a
nch 'release-4-6
'
int
o
ma
s
te
r
commit
|
commitdiff
|
tree
2013-06-26
Roland S
c
h
u
lz
Remove hack to support old
v
e
r
sion t
p
r version 80
commit
|
commitdiff
|
tree
2013-05-21
Ro
l
a
n
d Schulz
M
e
r
g
e
release-4-6
i
nto master
commit
|
commitdiff
|
tree
2013-03-26
Ro
l
and Schulz
Merg
e
release-4-5
-
p
a
tch
e
s
into release-4-
6
commit
|
commitdiff
|
tree
2013-03-22
R
oland Sch
u
lz
Fix proble
m
s wit
h
i
ntel-mp
i
commit
|
commitdiff
|
tree
2013-03-20
Rol
a
nd Schu
l
z
Merge releas
e
-
4-
6
into master
commit
|
commitdiff
|
tree
2013-03-06
R
oland Schulz
Merge "fix
e
d PME time print with -ntomp_pme
!=
-
ntom
p
.
.
.
commit
|
commitdiff
|
tree
2013-03-05
Roland Schulz
Fixe
s
linkage wi
t
h
FFTW
+ MK
L
for BLAS/LAPAC
K
commit
|
commitdiff
|
tree
2013-02-26
R
ola
n
d Schulz
M
e
r
g
e
release-4-6 into m
a
s
te
r
commit
|
commitdiff
|
tree
2013-02-18
R
olan
d
Schulz
Issue err
o
r
s/warnings for ICC bef
o
re 12
.
0
.
0
commit
|
commitdiff
|
tree
2013-02-16
R
oland Schu
l
z
Add missi
n
g incl
u
de
commit
|
commitdiff
|
tree
2013-02-13
Ro
l
and
S
c
hulz
Merge "Fixed the MPI recognition stri
n
g i
n
g_tune_pme
.
.
.
commit
|
commitdiff
|
tree
2013-02-13
Roland Schu
l
z
M
erge
"impr
o
v
e setup of multi
p
le tf
t
ables"
i
n
t
o releas
e
-4-
6
commit
|
commitdiff
|
tree
2013-02-13
Rola
n
d Schulz
Mer
g
e release-
4
-
6 into ma
s
ter
commit
|
commitdiff
|
tree
2013-02-13
Roland Schu
l
z
Merge releas
e
-4-6 into
m
aster
commit
|
commitdiff
|
tree
2013-02-13
R
oland Schu
l
z
C
o
de
beautification
w
ith uncrustify
commit
|
commitdiff
|
tree
2013-02-13
Roland Schulz
Merge "Updated FindGSL
.
cm
a
ke
to ve
r
s
i
on written by
.
.
.
commit
|
commitdiff
|
tree
2013-02-09
R
o
land S
c
h
ulz
Merg
e
"
T
y
p
o fi
x
" into release-4-6
commit
|
commitdiff
|
tree
2013-02-08
Roland Sch
u
l
z
F
ix CUDA_HOST_
C
OMPILER flag
name
commit
|
commitdiff
|
tree
2013-02-08
Ro
l
an
d
Schulz
Remo
v
e
d
u
plic
a
ted clang
s
ectio
n
commit
|
commitdiff
|
tree
2013-02-08
Roland
S
chul
z
Rem
o
ve du
m
m
y
.
cpp
commit
|
commitdiff
|
tree
2013-01-30
Rol
a
n
d
Sc
h
u
lz
Fix gmxcheck target
commit
|
commitdiff
|
tree
2013-01-22
Roland Sch
u
lz
Illegal acceleration
d
efaulted to QPX
commit
|
commitdiff
|
tree
2013-01-22
Ro
l
and
S
ch
u
lz
F
i
x TOUPP
E
R usag
e
commit
|
commitdiff
|
tree
2013-01-22
Roland Schulz
U
pda
t
ed
html
m
a
nual to
4
.
6
commit
|
commitdiff
|
tree
2013-01-21
Roland
Schul
z
M
erge release-4-6 i
n
to master
commit
|
commitdiff
|
tree
2013-01-20
R
oland S
c
hulz
Me
r
g
e
release-4
-
6 into master
commit
|
commitdiff
|
tree
2013-01-19
Roland Sc
h
ulz
Fix AVX double compile error
commit
|
commitdiff
|
tree
2013-01-19
Rolan
d
Schu
l
z
Add fftp
a
ck
to EXT
R
A_DIST
commit
|
commitdiff
|
tree
2013-01-19
Roland Schulz
Releas
e
4
.
5
.
6
commit
|
commitdiff
|
tree
2013-01-18
Rol
a
nd
S
ch
u
l
z
M
erge release-4
-
5-patches into release
-
4
-6
commit
|
commitdiff
|
tree
2013-01-18
R
o
land Schulz
F
i
x typo
commit
|
commitdiff
|
tree
2013-01-18
Roland S
c
h
u
lz
Code beaut
i
fication with u
n
crusti
f
y
commit
|
commitdiff
|
tree
2013-01-18
R
o
l
a
nd Schul
z
Add colon
aft
e
r macro to h
e
l
p
uncrust
i
fy
commit
|
commitdiff
|
tree
2013-01-18
Roland Sc
h
ulz
Fix reading of g96 title
commit
|
commitdiff
|
tree
2013-01-17
R
oland Schulz
Merg
e
"Me
r
ge bran
c
h
'
rel
e
ase-4
-
5
-
patches'
into rele
a
se
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Rola
n
d Schulz
Remove
u
nne
c
ess
a
ry ICC flags aff
e
cting performanc
e
commit
|
commitdiff
|
tree
2013-01-17
Ro
l
an
d
Schulz
M
e
rge
"
c
larify wording of GP
U
driver-re
l
ated notes
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Roland Schulz
Merge "Added che
c
k for val
i
d wall_ato
m
t
yp
e
in
.
m
dp
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Rol
a
nd Schulz
Run regress
i
ontests from build
commit
|
commitdiff
|
tree
2013-01-17
Roland
S
chulz
F
ix confusing
gm
x
_heade
r
_conf
i
g
.
h include
commit
|
commitdiff
|
tree
2013-01-16
Roland Schulz
Don't ca
c
he $
{
FFTW}_HAVE_(SIMD
|
AVX
)
commit
|
commitdiff
|
tree
2013-01-15
Roland Schulz
M
e
r
ge rel
e
ase-4-6 into
m
aster
commit
|
commitdiff
|
tree
2013-01-15
R
o
lan
d
Sch
u
lz
Fix mi
s
s
i
ng re
p
lacem
e
nt/typo
commit
|
commitdiff
|
tree
2013-01-13
R
oland Schulz
M
e
rge
"Fixes for md-vv
a
n
d rerun" into release-4-6
commit
|
commitdiff
|
tree
2013-01-13
Roland Schulz
Merge "fixed reset
t
ing states with
p
ara
l
lel Verlet
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Rol
a
nd
Schulz
Proper
fix for c
o
p
yrite cuda depende
n
c
e
commit
|
commitdiff
|
tree
2013-01-13
Roland Schu
l
z
M
erge "prepa
r
ed the nbnxn code for
n
on-x86
SIM
D
" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Rol
a
nd Schulz
Merge "time the GPU
f
orce c
l
earing async
launch overhead
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Rolan
d
Schulz
Merge release-
4
-
5
-patches i
n
to r
e
l
ease-4-6
commit
|
commitdiff
|
tree
2013-01-11
Rol
a
n
d Schulz
A
d
d
ed miss
i
ng export
commit
|
commitdiff
|
tree
2013-01-11
Rola
n
d
Schul
z
Merge "Handle compile
r
flags more fle
x
ibly" i
n
t
o release
-
4-6
commit
|
commitdiff
|
tree
2013-01-10
Rola
n
d Schulz
Rem
o
ve
i
ncor
r
ect asser
t
a
d
ded b
y
0
5
f9a740
commit
|
commitdiff
|
tree
2013-01-10
Roland Schu
l
z
Handle compiler fla
g
s more flexibl
y
commit
|
commitdiff
|
tree
2013-01-10
Rolan
d
Schulz
Merge "Move W
i
nd
o
ws
s
hared/s
t
atic options to later
.
.
.
commit
|
commitdiff
|
tree
2013-01-10
Roland Schulz
Merge "Remov
e
work
a
round" into release
-
4-6
commit
|
commitdiff
|
tree
2013-01-10
R
o
land Sch
u
lz
Mo
v
e
W
in
d
ows sha
r
ed/sta
t
ic op
t
i
o
ns to later poin
t
commit
|
commitdiff
|
tree
2013-01-10
Roland Schulz
Remove
w
orkaround
commit
|
commitdiff
|
tree
2013-01-09
Roland Schulz
Merge "
A
dded work-a
r
oun
d
for gcc bug
in A
V
X intrinsincs
.
.
.
commit
|
commitdiff
|
tree
2013-01-09
Ro
l
and Schu
l
z
Merge "Add
c
heck
t
o remove
z
er
o
Charm
m
dihedrals
"
into
.
.
.
commit
|
commitdiff
|
tree
2013-01-09
Roland Schulz
Merg
e
"[tools] g_san
s
- add trajectory avereging" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-08
Ro
l
and Sc
h
ulz
Merge
"Reduce use of monoli
t
h
i
c sets of compi
l
er f
l
ags
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Roland Sc
h
ulz
M
erge "f
i
xed
n
bnxn AVX-256
Ewal
d
table
p
o
i
nt
e
r alignment
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Rol
a
nd
S
c
h
ulz
Merge "cmake: remove double
-
neg
a
tive quotes l
o
g
i
c"
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Roland S
c
h
ulz
Merge "Print out atom numbers
i
n g_rmsf"
i
n
to release
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Rolan
d
S
c
hul
z
Fix
C
UDA bei
n
g quiet and mark all CUDA_* as advanced
commit
|
commitdiff
|
tree
2013-01-07
Roland Schulz
Merge "Ignor
e
bool cas
t
w
a
r
ning for MSVC and C++
"
int
o
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Ro
l
and
Schulz
Me
r
ge "impr
o
ved
re
p
o
r
tin
g
of
f
ailed affi
n
ity setti
n
g
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
R
olan
d
Schulz
Me
r
ge "Fixed forma
t
er
r
or
in online
man
u
al
.
"
into release-
4
-6
commit
|
commitdiff
|
tree
2013-01-07
Roland
S
chulz
Merge "Fixed a
b
ug that with
m
ultiple exc
h
anges" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Rola
n
d
Schulz
Merge "Es
s
ential
dynami
c
s:
fixed
r
e
s
tarts when ED grou
p
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Rolan
d
Schu
l
z
Merge
"minor speed-up
a
nd cod
e
clea
n
-up
i
n
nb
n
xn ke
r
nels
.
.
.
commit
|
commitdiff
|
tree
2013-01-03
Roland Schulz
Merge "F
i
xed
G
MXRC
s
o
we are not pollu
t
ing
s
tandard
.
.
.
commit
|
commitdiff
|
tree
2012-12-22
Roland Schul
z
Add missing visibili
t
y
e
xports
commit
|
commitdiff
|
tree
2012-12-21
Roland Schul
z
Ignore bo
o
l ca
s
t warning for MSVC an
d
C++
commit
|
commitdiff
|
tree
2012-12-20
Roland Schulz
Merge
r
elease
-
4-6 into m
a
ster
commit
|
commitdiff
|
tree
2012-12-19
Roland Schulz
Merge "Fi
x
l
ice
n
se text printed
by programs
.
"
i
n
to
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Roland
Schulz
Merge ch
a
nges Idc652236,If03cf569 into
r
elease-4-6
commit
|
commitdiff
|
tree
2012-12-19
R
o
land Schulz
Me
r
ge
"issue error if GPU ID
i
s provided with
GP
U
acc
.
.
.
commit
|
commitdiff
|
tree
2012-12-12
Roland Schulz
Merge rel
e
ase-
4
-6
into master
commit
|
commitdiff
|
tree
2012-12-09
Ro
l
a
nd
Sc
h
u
l
z
Merge
"fixed GPU p
a
ir-sear
c
h with
G
M
X_CPU
_
ACCELERATION
.
.
.
commit
|
commitdiff
|
tree
2012-12-09
Roland Schu
l
z
Merge "Fix build
of template and other external code
.
.
.
commit
|
commitdiff
|
tree
2012-12-08
Roland Schu
l
z
Fix compilation with PGI
commit
|
commitdiff
|
tree
2012-12-06
Roland
Schulz
Make
S
S
E4
.
1 warning cle
a
rer
commit
|
commitdiff
|
tree
2012-12-05
Roland Schulz
Me
r
ge "fix
e
d
seg
v
i
n Verlet pair-search wit
h
trilinic
.
.
.
commit
|
commitdiff
|
tree
2012-12-05
Roland Schulz
Merge "fixed incorre
c
t virial w
i
t
h
virtual si
t
e
s and
.
.
.
commit
|
commitdiff
|
tree
2012-12-05
Roland Sch
u
lz
Remove
TEST_TMPI_ATOMICS_ONLY
commit
|
commitdiff
|
tree
2012-12-03
Roland Schulz
Merge rel
e
ase-4
-
6 into
master
commit
|
commitdiff
|
tree
2012-11-28
Rolan
d
Schulz
M
erge
"
R
emove CVS
f
iles" into release-4-6
commit
|
commitdiff
|
tree
2012-11-28
R
o
land S
c
hulz
Fix cpa
c
k src i
g
nore rule
commit
|
commitdiff
|
tree
2012-11-28
R
o
l
a
n
d S
c
hul
z
Fi
x
: pthread v
a
riab
l
e
s
w
e
re overwr
i
tten by gmxMa
n
age
G
PU
commit
|
commitdiff
|
tree
2012-11-28
Roland Schulz
Fix
CPA
C
K
_SOUR
C
E
_
IGNORE_
F
ILES
commit
|
commitdiff
|
tree
2012-11-28
Roland Schulz
Pri
n
t error if
no t
h
read
s
upport is av
a
ilable
commit
|
commitdiff
|
tree
2012-11-27
Ro
l
and Schulz
Fix Windo
w
-G
P
U
build
commit
|
commitdiff
|
tree
2012-11-27
R
o
l
an
d
Schulz
Rem
o
v
e
CVS
f
iles
commit
|
commitdiff
|
tree
2012-11-27
Rol
a
n
d
S
chulz
Add visibility de
f
ines
commit
|
commitdiff
|
tree
next